##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
(η⁶-p-Cymene)(1,3-dimesityl-2,3-dihydro-1H-imidazol-2-
ylidene)bis(pentafluorobenzoato-κO)ruthenium(II) dichloromethane
disolvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C45 H38 F10 N2 O4 Ru, 2(C H2 Cl2)'
_chemical_formula_sum     'C47 H42 Cl4 F10 N2 O4 Ru'
_chemical_formula_iupac     '[Ru (C7 F5 O2)2 (C10 H14) (C21 H24 N2)], 2C H2 Cl2'
_chemical_formula_weight     1131.70
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     18.0951(11)
_cell_length_b     22.4608(14)
_cell_length_c     23.4293(14)
_cell_angle_alpha     90.00
_cell_angle_beta     104.782(3)
_cell_angle_gamma     90.00
_cell_volume     9207.2(10)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     16066
_cell_measurement_theta_min     1.8
_cell_measurement_theta_max     27.5
_cell_measurement_temperature     100(2)
_exptl_crystal_description     plates
_exptl_crystal_colour     orange
_exptl_crystal_size_max     0.63
_exptl_crystal_size_mid     0.30
_exptl_crystal_size_min     0.16
_exptl_crystal_density_diffrn     1.633
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     4576
_exptl_absorpt_coefficient_mu     0.661
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(Blessing, 1995)'
_exptl_absorpt_correction_T_min     0.6532
_exptl_absorpt_correction_T_max     0.7461
_exptl_special_details     ?
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     Triumph
_diffrn_measurement_device_type     'Bruker Kappa APEXII DUO'
_diffrn_measurement_method     'Omega + Phi Scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     88410
_diffrn_reflns_av_R_equivalents     0.0371
_diffrn_reflns_av_sigmaI/netI     0.0372
_diffrn_reflns_theta_min     1.80
_diffrn_reflns_theta_max     27.50
_diffrn_reflns_theta_full     27.50
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -23
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -26
_diffrn_reflns_limit_k_max     29
_diffrn_reflns_limit_l_min     -30
_diffrn_reflns_limit_l_max     30
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors (gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R-- factors based on ALL data will be
even larger.
;
_reflns_number_total     21150
_reflns_number_gt     16066
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0822
_refine_ls_R_factor_gt     0.0585
_refine_ls_wR_factor_gt     0.1514
_refine_ls_wR_factor_ref     0.1643
_refine_ls_goodness_of_fit_ref     1.093
_refine_ls_restrained_S_all     1.093
_refine_ls_number_reflns     21150
_refine_ls_number_parameters     1243
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
        'calc w=1/[σ²(Fo²)+(0.0866P)²+19.1814P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     5.082
_refine_diff_density_min     -2.318
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'F' 'F' 0.0171 0.0103
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ru' 'Ru' -1.2594 0.8363
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2008)'
_computing_cell_refinement     'SAINT (Bruker, 2008)'
_computing_data_reduction     'SAINT (Bruker, 2008)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'XP in SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material     'publCIF (Westrip, 2010)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Ru Ru1A 0.211201(14) 0.733381(14) 0.034965(12) 0.01547(8) Uani d . 1 1 . .
    F F1A 0.19263(11) 0.80651(10) 0.20855(9) 0.0201(4) Uani d . 1 1 . .
    F F2A 0.22409(13) 0.80990(11) 0.32495(10) 0.0267(5) Uani d . 1 1 . .
    F F3A 0.37020(14) 0.82051(11) 0.39036(9) 0.0271(5) Uani d . 1 1 . .
    F F4A 0.48626(12) 0.82406(11) 0.33637(10) 0.0262(5) Uani d . 1 1 . .
    F F5A 0.45810(11) 0.81535(11) 0.21975(10) 0.0244(5) Uani d . 1 1 . .
    F F6A 0.33768(13) 0.64401(11) 0.24677(11) 0.0310(5) Uani d . 1 1 . .
    F F7A 0.33828(15) 0.54675(13) 0.31401(11) 0.0391(6) Uani d . 1 1 . .
    F F8A 0.29924(15) 0.43914(12) 0.26195(12) 0.0383(6) Uani d . 1 1 . .
    F F9A 0.26109(17) 0.42970(12) 0.14284(12) 0.0419(7) Uani d . 1 1 . .
    F F10A 0.25607(16) 0.52702(11) 0.07608(11) 0.0351(6) Uani d . 1 1 . .
    O O1A 0.24672(13) 0.77272(11) 0.11899(10) 0.0151(5) Uani d . 1 1 . .
    O O2A 0.35391(14) 0.82194(12) 0.11620(12) 0.0211(6) Uani d . 1 1 . .
    O O3A 0.22999(13) 0.65765(12) 0.09000(11) 0.0184(5) Uani d . 1 1 . .
    O O4A 0.35781(14) 0.66912(13) 0.12402(12) 0.0254(6) Uani d . 1 1 . .
    N N1A 0.07045(15) 0.70974(13) 0.08909(12) 0.0127(6) Uani d . 1 1 . .
    N N2A 0.06483(15) 0.79737(13) 0.05245(12) 0.0121(5) Uani d . 1 1 . .
    C C1A 0.10574(18) 0.74578(16) 0.05680(15) 0.0137(7) Uani d . 1 1 . .
    C C2A 0.01060(19) 0.73846(16) 0.10435(16) 0.0161(7) Uani d . 1 1 . .
    H H2A -0.0216 0.7223 0.1268 0.019 Uiso calc R 1 1 . .
    C C3A 0.00678(18) 0.79328(16) 0.08153(15) 0.0150(7) Uani d . 1 1 . .
    H H3A -0.0287 0.8236 0.0845 0.018 Uiso calc R 1 1 . .
    C C4A 0.3009(2) 0.70314(18) -0.00775(16) 0.0205(8) Uani d . 1 1 . .
    H H4A 0.3444 0.6785 0.0065 0.025 Uiso calc R 1 1 . .
    C C5A 0.3088(2) 0.76397(18) 0.00058(16) 0.0202(8) Uani d . 1 1 . .
    H H5A 0.3568 0.7802 0.0208 0.024 Uiso calc R 1 1 . .
    C C6A 0.2451(2) 0.80253(19) -0.02105(17) 0.0260(9) Uani d . 1 1 . .
    C C7A 0.1747(2) 0.7749(2) -0.05192(16) 0.0316(11) Uani d . 1 1 . .
    H H7A 0.1318 0.7995 -0.0681 0.038 Uiso calc R 1 1 . .
    C C8A 0.1666(2) 0.7130(2) -0.05920(17) 0.0292(9) Uani d . 1 1 . .
    H H8A 0.1185 0.6964 -0.0790 0.035 Uiso calc R 1 1 . .
    C C9A 0.2294(2) 0.6757(2) -0.03724(17) 0.0260(9) Uani d . 1 1 . .
    C C10A 0.2547(3) 0.8678(2) -0.0141(2) 0.0348(11) Uani d . 1 1 . .
    H H10A 0.2791 0.8772 0.0272 0.052 Uiso calc R 1 1 . .
    H H10B 0.2046 0.8871 -0.0259 0.052 Uiso calc R 1 1 . .
    H H10C 0.2869 0.8822 -0.0391 0.052 Uiso calc R 1 1 . .
    C C11A 0.2284(3) 0.6079(2) -0.0443(2) 0.0325(10) Uani d . 1 1 . .
    H H11A 0.2649 0.5912 -0.0084 0.039 Uiso calc R 1 1 . .
    C C12A 0.2608(3) 0.5937(2) -0.0968(2) 0.0459(13) Uani d . 1 1 . .
    H H12A 0.2591 0.5506 -0.1036 0.069 Uiso calc R 1 1 . .
    H H12B 0.3138 0.6075 -0.0886 0.069 Uiso calc R 1 1 . .
    H H12C 0.2302 0.6138 -0.1321 0.069 Uiso calc R 1 1 . .
    C C13A 0.1524(3) 0.5774(2) -0.0500(3) 0.0459(13) Uani d . 1 1 . .
    H H13A 0.1344 0.5855 -0.0148 0.069 Uiso calc R 1 1 . .
    H H13B 0.1585 0.5344 -0.0541 0.069 Uiso calc R 1 1 . .
    H H13C 0.1152 0.5927 -0.0850 0.069 Uiso calc R 1 1 . .
    C C14A 0.07930(19) 0.64673(16) 0.10204(15) 0.0164(7) Uani d . 1 1 . .
    C C15A 0.0405(2) 0.60653(19) 0.05989(18) 0.0281(9) Uani d . 1 1 . .
    C C16A 0.0422(3) 0.5467(2) 0.0756(2) 0.0350(10) Uani d . 1 1 . .
    H H16A 0.0167 0.5185 0.0472 0.042 Uiso calc R 1 1 . .
    C C17A 0.0797(3) 0.52701(19) 0.13108(19) 0.0305(9) Uani d . 1 1 . .
    C C18A 0.11557(19) 0.56887(17) 0.17216(16) 0.0192(7) Uani d . 1 1 . .
    H H18A 0.1417 0.5558 0.2106 0.023 Uiso calc R 1 1 . .
    C C19A 0.11490(18) 0.62901(16) 0.15943(15) 0.0158(7) Uani d . 1 1 . .
    C C20A -0.0048(3) 0.6271(2) 0.00029(19) 0.0339(10) Uani d . 1 1 . .
    H H20A -0.0465 0.6531 0.0049 0.051 Uiso calc R 1 1 . .
    H H20B -0.0262 0.5926 -0.0238 0.051 Uiso calc R 1 1 . .
    H H20C 0.0286 0.6493 -0.0192 0.051 Uiso calc R 1 1 . .
    C C21A 0.0804(3) 0.4620(2) 0.1466(2) 0.0429(12) Uani d . 1 1 . .
    H H21A 0.0306 0.4444 0.1279 0.064 Uiso calc R 1 1 . .
    H H21B 0.0909 0.4576 0.1895 0.064 Uiso calc R 1 1 . .
    H H21C 0.1203 0.4417 0.1324 0.064 Uiso calc R 1 1 . .
    C C22A 0.1509(2) 0.67352(18) 0.20563(16) 0.0211(8) Uani d . 1 1 . .
    H H22A 0.1774 0.6527 0.2418 0.032 Uiso calc R 1 1 . .
    H H22B 0.1112 0.6994 0.2139 0.032 Uiso calc R 1 1 . .
    H H22C 0.1876 0.6977 0.1915 0.032 Uiso calc R 1 1 . .
    C C23A 0.06434(18) 0.84920(15) 0.01554(15) 0.0133(6) Uani d . 1 1 . .
    C C24A 0.10107(18) 0.90065(16) 0.04012(15) 0.0157(7) Uani d . 1 1 . .
    C C25A 0.0915(2) 0.95158(17) 0.00481(17) 0.0198(7) Uani d . 1 1 . .
    H H25A 0.1165 0.9873 0.0208 0.024 Uiso calc R 1 1 . .
    C C26A 0.0469(2) 0.95187(17) -0.05264(17) 0.0191(7) Uani d . 1 1 . .
    C C27A 0.00898(19) 0.89935(17) -0.07535(16) 0.0186(7) Uani d . 1 1 . .
    H H27A -0.0224 0.8990 -0.1146 0.022 Uiso calc R 1 1 . .
    C C28A 0.01624(18) 0.84773(16) -0.04166(15) 0.0147(7) Uani d . 1 1 . .
    C C29A -0.02639(19) 0.79270(17) -0.06700(16) 0.0180(7) Uani d . 1 1 . .
    H H29A -0.0622 0.8022 -0.1049 0.027 Uiso calc R 1 1 . .
    H H29B -0.0548 0.7774 -0.0396 0.027 Uiso calc R 1 1 . .
    H H29C 0.0099 0.7624 -0.0730 0.027 Uiso calc R 1 1 . .
    C C30A 0.0376(2) 1.00646(18) -0.09032(19) 0.0269(9) Uani d . 1 1 . .
    H H30A 0.0600 1.0407 -0.0661 0.040 Uiso calc R 1 1 . .
    H H30B -0.0168 1.0138 -0.1078 0.040 Uiso calc R 1 1 . .
    H H30C 0.0637 1.0007 -0.1218 0.040 Uiso calc R 1 1 . .
    C C31A 0.1479(2) 0.90321(17) 0.10271(17) 0.0223(8) Uani d . 1 1 . .
    H H31A 0.1144 0.8987 0.1294 0.033 Uiso calc R 1 1 . .
    H H31B 0.1743 0.9416 0.1100 0.033 Uiso calc R 1 1 . .
    H H31C 0.1857 0.8710 0.1098 0.033 Uiso calc R 1 1 . .
    C C32A 0.30839(18) 0.80074(16) 0.14130(15) 0.0143(7) Uani d . 1 1 . .
    C C33A 0.32401(19) 0.80765(15) 0.20791(15) 0.0141(7) Uani d . 1 1 . .
    C C34A 0.26638(19) 0.80762(16) 0.23782(16) 0.0159(7) Uani d . 1 1 . .
    C C35A 0.2813(2) 0.81073(17) 0.29843(16) 0.0184(7) Uani d . 1 1 . .
    C C36A 0.3557(2) 0.81628(16) 0.33167(15) 0.0182(7) Uani d . 1 1 . .
    C C37A 0.41394(19) 0.81774(16) 0.30390(16) 0.0177(7) Uani d . 1 1 . .
    C C38A 0.39800(19) 0.81357(16) 0.24320(16) 0.0161(7) Uani d . 1 1 . .
    C C39A 0.2966(2) 0.64470(17) 0.12117(16) 0.0197(7) Uani d . 1 1 . .
    C C40A 0.29610(19) 0.58889(19) 0.15947(17) 0.0217(8) Uani d . 1 1 . .
    C C41A 0.3175(2) 0.59184(19) 0.22004(17) 0.0234(8) Uani d . 1 1 . .
    C C42A 0.3184(2) 0.5420(2) 0.25526(17) 0.0265(9) Uani d . 1 1 . .
    C C43A 0.2987(2) 0.4875(2) 0.22897(19) 0.0293(9) Uani d . 1 1 . .
    C C44A 0.2792(2) 0.48252(19) 0.16859(19) 0.0284(9) Uani d . 1 1 . .
    C C45A 0.2765(2) 0.53375(18) 0.13436(18) 0.0253(8) Uani d . 1 1 . .
    Ru Ru1B 0.216163(14) 0.751183(12) 0.535681(11) 0.01067(8) Uani d . 1 1 . .
    F F1B 0.33746(13) 0.65939(11) 0.74261(10) 0.0269(5) Uani d . 1 1 . .
    F F2B 0.34588(14) 0.56074(13) 0.80945(10) 0.0362(6) Uani d . 1 1 . .
    F F3B 0.31731(15) 0.45214(12) 0.75748(12) 0.0394(7) Uani d . 1 1 . .
    F F4B 0.28407(16) 0.44301(11) 0.63900(13) 0.0404(6) Uani d . 1 1 . .
    F F5B 0.26975(15) 0.54057(11) 0.57176(11) 0.0325(6) Uani d . 1 1 . .
    F F6B 0.19288(11) 0.81864(10) 0.71256(9) 0.0186(4) Uani d . 1 1 . .
    F F7B 0.22163(12) 0.81990(10) 0.82943(10) 0.0235(5) Uani d . 1 1 . .
    F F8B 0.36714(13) 0.81805(11) 0.89705(9) 0.0254(5) Uani d . 1 1 . .
    F F9B 0.48511(12) 0.81307(12) 0.84560(10) 0.0287(5) Uani d . 1 1 . .
    F F10B 0.45904(12) 0.80537(12) 0.72857(10) 0.0276(5) Uani d . 1 1 . .
    O O1B 0.23489(13) 0.67194(11) 0.58540(11) 0.0152(5) Uani d . 1 1 . .
    O O2B 0.36216(13) 0.68584(12) 0.62238(12) 0.0214(6) Uani d . 1 1 . .
    O O3B 0.24842(12) 0.78394(11) 0.62251(10) 0.0144(5) Uani d . 1 1 . .
    O O4B 0.35836(14) 0.83282(12) 0.62617(11) 0.0188(5) Uani d . 1 1 . .
    N N1B 0.06452(15) 0.80710(13) 0.55291(12) 0.0128(6) Uani d . 1 1 . .
    N N2B 0.07508(15) 0.71824(13) 0.58685(12) 0.0118(5) Uani d . 1 1 . .
    C C1B 0.10899(18) 0.75737(15) 0.55659(15) 0.0127(6) Uani d . 1 1 . .
    C C2B 0.00643(18) 0.79907(17) 0.58090(15) 0.0163(7) Uani d . 1 1 . .
    H H2B -0.0307 0.8278 0.5845 0.020 Uiso calc R 1 1 . .
    C C3B 0.01232(18) 0.74379(17) 0.60178(16) 0.0165(7) Uani d . 1 1 . .
    H H3B -0.0199 0.7253 0.6228 0.020 Uiso calc R 1 1 . .
    C C4B 0.1875(2) 0.80780(17) 0.45545(15) 0.0186(7) Uani d . 1 1 . .
    H H4B 0.1483 0.8366 0.4426 0.022 Uiso calc R 1 1 . .
    C C5B 0.1723(2) 0.74728(18) 0.44022(16) 0.0192(8) Uani d . 1 1 . .
    H H5B 0.1223 0.7359 0.4188 0.023 Uiso calc R 1 1 . .
    C C6B 0.22997(19) 0.70319(17) 0.45620(15) 0.0178(7) Uani d . 1 1 . .
    C C7B 0.30300(18) 0.72224(17) 0.49023(15) 0.0157(7) Uani d . 1 1 . .
    H H7B 0.3430 0.6939 0.5018 0.019 Uiso calc R 1 1 . .
    C C8B 0.31720(18) 0.78133(16) 0.50697(15) 0.0156(7) Uani d . 1 1 . .
    H H8B 0.3661 0.7923 0.5307 0.019 Uiso calc R 1 1 . .
    C C9B 0.2596(2) 0.82594(16) 0.48914(15) 0.0168(7) Uani d . 1 1 . .
    C C10B 0.2772(2) 0.89004(17) 0.50338(18) 0.0244(8) Uani d . 1 1 . .
    H H10D 0.3059 0.9063 0.4767 0.037 Uiso calc R 1 1 . .
    H H10E 0.3077 0.8937 0.5443 0.037 Uiso calc R 1 1 . .
    H H10F 0.2293 0.9123 0.4985 0.037 Uiso calc R 1 1 . .
    C C11B 0.2146(2) 0.63985(19) 0.43595(18) 0.0266(9) Uani d . 1 1 . .
    H H11B 0.1745 0.6229 0.4538 0.032 Uiso calc R 1 1 . .
    C C12B 0.2846(3) 0.6005(2) 0.4520(2) 0.0389(11) Uani d . 1 1 . .
    H H12D 0.3248 0.6175 0.4358 0.058 Uiso calc R 1 1 . .
    H H12E 0.2715 0.5606 0.4354 0.058 Uiso calc R 1 1 . .
    H H12F 0.3028 0.5977 0.4950 0.058 Uiso calc R 1 1 . .
    C C13B 0.1843(4) 0.6393(3) 0.3682(2) 0.0581(17) Uani d . 1 1 . .
    H H13D 0.1350 0.6599 0.3569 0.087 Uiso calc R 1 1 . .
    H H13E 0.1777 0.5980 0.3542 0.087 Uiso calc R 1 1 . .
    H H13F 0.2209 0.6595 0.3504 0.087 Uiso calc R 1 1 . .
    C C14B 0.06306(18) 0.85923(16) 0.51688(15) 0.0146(7) Uani d . 1 1 . .
    C C15B 0.01518(19) 0.85851(17) 0.45963(16) 0.0171(7) Uani d . 1 1 . .
    C C16B 0.0105(2) 0.90990(18) 0.42574(17) 0.0211(8) Uani d . 1 1 . .
    H H16B -0.0213 0.9100 0.3866 0.025 Uiso calc R 1 1 . .
    C C17B 0.0512(2) 0.96122(18) 0.44769(18) 0.0239(8) Uani d . 1 1 . .
    C C18B 0.0951(2) 0.96080(17) 0.50537(18) 0.0226(8) Uani d . 1 1 . .
    H H18B 0.1214 0.9961 0.5212 0.027 Uiso calc R 1 1 . .
    C C19B 0.10206(19) 0.91061(16) 0.54123(16) 0.0171(7) Uani d . 1 1 . .
    C C20B -0.02853(19) 0.80376(17) 0.43447(16) 0.0195(7) Uani d . 1 1 . .
    H H20D -0.0647 0.8136 0.3968 0.029 Uiso calc R 1 1 . .
    H H20E -0.0566 0.7887 0.4622 0.029 Uiso calc R 1 1 . .
    H H20F 0.0071 0.7732 0.4280 0.029 Uiso calc R 1 1 . .
    C C21B 0.0454(3) 1.0153(2) 0.4091(2) 0.0347(10) Uani d . 1 1 . .
    H H21D 0.0719 1.0487 0.4325 0.052 Uiso calc R 1 1 . .
    H H21E -0.0086 1.0255 0.3930 0.052 Uiso calc R 1 1 . .
    H H21F 0.0689 1.0069 0.3767 0.052 Uiso calc R 1 1 . .
    C C22B 0.1496(2) 0.91242(17) 0.60376(17) 0.0234(8) Uani d . 1 1 . .
    H H22D 0.1179 0.9017 0.6304 0.035 Uiso calc R 1 1 . .
    H H22E 0.1701 0.9526 0.6131 0.035 Uiso calc R 1 1 . .
    H H22F 0.1919 0.8841 0.6086 0.035 Uiso calc R 1 1 . .
    C C23B 0.08804(18) 0.65534(15) 0.59738(15) 0.0135(6) Uani d . 1 1 . .
    C C24B 0.06337(19) 0.61648(17) 0.55047(16) 0.0182(7) Uani d . 1 1 . .
    C C25B 0.0712(2) 0.55586(18) 0.56177(17) 0.0224(8) Uani d . 1 1 . .
    H H25B 0.0559 0.5287 0.5299 0.027 Uiso calc R 1 1 . .
    C C26B 0.1006(2) 0.53389(17) 0.61800(18) 0.0220(8) Uani d . 1 1 . .
    C C27B 0.12249(19) 0.57448(16) 0.66432(16) 0.0173(7) Uani d . 1 1 . .
    H H27B 0.1411 0.5599 0.7034 0.021 Uiso calc R 1 1 . .
    C C28B 0.11782(18) 0.63565(16) 0.65504(15) 0.0155(7) Uani d . 1 1 . .
    C C29B 0.0265(2) 0.6387(2) 0.48910(17) 0.0274(9) Uani d . 1 1 . .
    H H29D -0.0194 0.6616 0.4896 0.041 Uiso calc R 1 1 . .
    H H29E 0.0125 0.6048 0.4623 0.041 Uiso calc R 1 1 . .
    H H29F 0.0626 0.6643 0.4756 0.041 Uiso calc R 1 1 . .
    C C30B 0.1063(3) 0.46760(19) 0.6284(2) 0.0322(10) Uani d . 1 1 . .
    H H30D 0.0556 0.4516 0.6274 0.048 Uiso calc R 1 1 . .
    H H30E 0.1412 0.4596 0.6671 0.048 Uiso calc R 1 1 . .
    H H30F 0.1259 0.4486 0.5976 0.048 Uiso calc R 1 1 . .
    C C31B 0.1457(2) 0.67853(17) 0.70486(16) 0.0179(7) Uani d . 1 1 . .
    H H31D 0.1704 0.6565 0.7408 0.027 Uiso calc R 1 1 . .
    H H31E 0.1023 0.7012 0.7115 0.027 Uiso calc R 1 1 . .
    H H31F 0.1826 0.7060 0.6949 0.027 Uiso calc R 1 1 . .
    C C32B 0.30106(19) 0.65946(16) 0.61778(15) 0.0162(7) Uani d . 1 1 . .
    C C33B 0.30264(18) 0.60368(17) 0.65504(16) 0.0179(7) Uani d . 1 1 . .
    C C34B 0.32219(19) 0.60660(18) 0.71560(17) 0.0200(8) Uani d . 1 1 . .
    C C35B 0.3272(2) 0.5564(2) 0.75062(17) 0.0256(9) Uani d . 1 1 . .
    C C36B 0.3132(2) 0.50171(19) 0.72432(19) 0.0272(9) Uani d . 1 1 . .
    C C37B 0.2952(2) 0.49661(19) 0.66437(19) 0.0276(9) Uani d . 1 1 . .
    C C38B 0.2888(2) 0.54743(18) 0.63013(17) 0.0222(8) Uani d . 1 1 . .
    C C39B 0.31051(18) 0.80947(16) 0.64793(15) 0.0142(7) Uani d . 1 1 . .
    C C40B 0.32475(18) 0.81116(15) 0.71470(15) 0.0135(7) Uani d . 1 1 . .
    C C41B 0.26600(18) 0.81513(15) 0.74324(15) 0.0141(7) Uani d . 1 1 . .
    C C42B 0.27953(19) 0.81664(16) 0.80398(16) 0.0159(7) Uani d . 1 1 . .
    C C43B 0.3537(2) 0.81571(16) 0.83817(15) 0.0168(7) Uani d . 1 1 . .
    C C44B 0.41293(19) 0.81273(17) 0.81215(16) 0.0185(7) Uani d . 1 1 . .
    C C45B 0.39847(19) 0.80971(16) 0.75135(16) 0.0170(7) Uani d . 1 1 . .
    C C1X 0.0182(2) 0.85437(19) 0.73301(18) 0.0267(9) Uani d . 1 1 . .
    H H1X1 -0.0287 0.8434 0.7025 0.032 Uiso calc R 1 1 . .
    H H1X2 0.0621 0.8509 0.7153 0.032 Uiso calc R 1 1 . .
    Cl Cl1 0.03067(7) 0.80522(5) 0.79314(5) 0.0377(3) Uani d . 1 1 . .
    Cl Cl2 0.01052(6) 0.92889(5) 0.75558(6) 0.0388(3) Uani d . 1 1 . .
    C C2X 0.0223(2) 0.8451(2) 0.23282(18) 0.0266(9) Uani d . 1 1 . .
    H H2X1 -0.0255 0.8301 0.2059 0.032 Uiso calc R 1 1 . .
    H H2X2 0.0655 0.8341 0.2162 0.032 Uiso calc R 1 1 . .
    Cl Cl3 0.03471(7) 0.81259(7) 0.30215(6) 0.0481(3) Uani d . 1 1 . .
    Cl Cl4 0.01756(7) 0.92300(6) 0.23876(9) 0.0673(5) Uani d . 1 1 . .
    C C3X 0.0756(3) 0.4518(2) 0.8115(2) 0.0457(13) Uani d . 1 1 . .
    H H3X1 0.0580 0.4836 0.8343 0.055 Uiso calc R 1 1 . .
    H H3X2 0.0767 0.4139 0.8332 0.055 Uiso calc R 1 1 . .
    Cl Cl5 0.16713(7) 0.46850(6) 0.80490(6) 0.0465(3) Uani d . 1 1 . .
    Cl Cl6 0.01067(7) 0.44556(8) 0.74007(6) 0.0584(4) Uani d . 1 1 . .
    C C4X 0.0896(3) 0.4513(2) 0.3654(2) 0.0365(11) Uani d . 1 1 . .
    H H4X1 0.0378 0.4634 0.3428 0.044 Uiso calc R 1 1 . .
    H H4X2 0.0881 0.4086 0.3754 0.044 Uiso calc R 1 1 . .
    Cl Cl7 0.15538(6) 0.46240(5) 0.32162(5) 0.0386(3) Uani d . 1 1 . .
    Cl Cl8 0.11683(9) 0.49368(7) 0.43119(7) 0.0575(4) Uani d . 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ru1A O1A . 2.103(2) ?
    Ru1A O3A . 2.109(3) ?
    Ru1A C1A . 2.116(3) ?
    Ru1A C7A . 2.182(4) ?
    Ru1A C8A . 2.196(4) ?
    Ru1A C6A . 2.218(4) ?
    Ru1A C4A . 2.220(3) ?
    Ru1A C9A . 2.221(4) ?
    Ru1A C5A . 2.228(3) ?
    F1A C34A . 1.336(4) ?
    F2A C35A . 1.336(4) ?
    F3A C36A . 1.336(4) ?
    F4A C37A . 1.343(4) ?
    F5A C38A . 1.338(4) ?
    F6A C41A . 1.335(5) ?
    F7A C42A . 1.335(5) ?
    F8A C43A . 1.331(5) ?
    F9A C44A . 1.333(5) ?
    F10A C45A . 1.329(5) ?
    O1A C32A . 1.272(4) ?
    O2A C32A . 1.224(4) ?
    O3A C39A . 1.273(4) ?
    O4A C39A . 1.223(5) ?
    N1A C1A . 1.372(4) ?
    N1A C2A . 1.384(4) ?
    N1A C14A . 1.448(5) ?
    N2A C1A . 1.365(4) ?
    N2A C3A . 1.393(4) ?
    N2A C23A . 1.449(4) ?
    C2A C3A . 1.337(5) ?
    C2A H2A . 0.9500 ?
    C3A H3A . 0.9500 ?
    C4A C5A . 1.382(6) ?
    C4A C9A . 1.442(5) ?
    C4A H4A . 0.9500 ?
    C5A C6A . 1.428(5) ?
    C5A H5A . 0.9500 ?
    C6A C7A . 1.435(6) ?
    C6A C10A . 1.479(6) ?
    C7A C8A . 1.404(7) ?
    C7A H7A . 0.9500 ?
    C8A C9A . 1.400(6) ?
    C8A H8A . 0.9500 ?
    C9A C11A . 1.531(6) ?
    C10A H10A . 0.9800 ?
    C10A H10B . 0.9800 ?
    C10A H10C . 0.9800 ?
    C11A C13A . 1.511(6) ?
    C11A C12A . 1.526(6) ?
    C11A H11A . 1.0000 ?
    C12A H12A . 0.9800 ?
    C12A H12B . 0.9800 ?
    C12A H12C . 0.9800 ?
    C13A H13A . 0.9800 ?
    C13A H13B . 0.9800 ?
    C13A H13C . 0.9800 ?
    C14A C15A . 1.389(5) ?
    C14A C19A . 1.393(5) ?
    C15A C16A . 1.393(6) ?
    C15A C20A . 1.501(6) ?
    C16A C17A . 1.376(6) ?
    C16A H16A . 0.9500 ?
    C17A C18A . 1.383(6) ?
    C17A C21A . 1.503(6) ?
    C18A C19A . 1.383(5) ?
    C18A H18A . 0.9500 ?
    C19A C22A . 1.495(5) ?
    C20A H20A . 0.9800 ?
    C20A H20B . 0.9800 ?
    C20A H20C . 0.9800 ?
    C21A H21A . 0.9800 ?
    C21A H21B . 0.9800 ?
    C21A H21C . 0.9800 ?
    C22A H22A . 0.9800 ?
    C22A H22B . 0.9800 ?
    C22A H22C . 0.9800 ?
    C23A C24A . 1.383(5) ?
    C23A C28A . 1.400(5) ?
    C24A C25A . 1.396(5) ?
    C24A C31A . 1.496(5) ?
    C25A C26A . 1.382(5) ?
    C25A H25A . 0.9500 ?
    C26A C27A . 1.399(5) ?
    C26A C30A . 1.495(5) ?
    C27A C28A . 1.390(5) ?
    C27A H27A . 0.9500 ?
    C28A C29A . 1.497(5) ?
    C29A H29A . 0.9800 ?
    C29A H29B . 0.9800 ?
    C29A H29C . 0.9800 ?
    C30A H30A . 0.9800 ?
    C30A H30B . 0.9800 ?
    C30A H30C . 0.9800 ?
    C31A H31A . 0.9800 ?
    C31A H31B . 0.9800 ?
    C31A H31C . 0.9800 ?
    C32A C33A . 1.521(5) ?
    C33A C38A . 1.389(5) ?
    C33A C34A . 1.397(5) ?
    C34A C35A . 1.378(5) ?
    C35A C36A . 1.378(5) ?
    C36A C37A . 1.373(5) ?
    C37A C38A . 1.380(5) ?
    C39A C40A . 1.543(5) ?
    C40A C41A . 1.374(5) ?
    C40A C45A . 1.378(6) ?
    C41A C42A . 1.388(6) ?
    C42A C43A . 1.377(6) ?
    C43A C44A . 1.372(6) ?
    C44A C45A . 1.396(6) ?
    Ru1B O3B . 2.101(2) ?
    Ru1B O1B . 2.107(2) ?
    Ru1B C1B . 2.122(3) ?
    Ru1B C5B . 2.176(4) ?
    Ru1B C7B . 2.209(3) ?
    Ru1B C8B . 2.209(3) ?
    Ru1B C4B . 2.219(3) ?
    Ru1B C6B . 2.220(3) ?
    Ru1B C9B . 2.250(3) ?
    F1B C34B . 1.339(5) ?
    F2B C35B . 1.336(4) ?
    F3B C36B . 1.349(5) ?
    F4B C37B . 1.335(5) ?
    F5B C38B . 1.331(5) ?
    F6B C41B . 1.337(4) ?
    F7B C42B . 1.333(4) ?
    F8B C43B . 1.339(4) ?
    F9B C44B . 1.341(4) ?
    F10B C45B . 1.339(4) ?
    O1B C32B . 1.274(4) ?
    O2B C32B . 1.234(4) ?
    O3B C39B . 1.267(4) ?
    O4B C39B . 1.229(4) ?
    N1B C1B . 1.366(4) ?
    N1B C2B . 1.385(4) ?
    N1B C14B . 1.440(4) ?
    N2B C1B . 1.369(4) ?
    N2B C3B . 1.394(4) ?
    N2B C23B . 1.443(4) ?
    C2B C3B . 1.329(5) ?
    C2B H2B . 0.9500 ?
    C3B H3B . 0.9500 ?
    C4B C9B . 1.401(5) ?
    C4B C5B . 1.415(6) ?
    C4B H4B . 0.9500 ?
    C5B C6B . 1.418(5) ?
    C5B H5B . 0.9500 ?
    C6B C7B . 1.424(5) ?
    C6B C11B . 1.503(5) ?
    C7B C8B . 1.389(5) ?
    C7B H7B . 0.9500 ?
    C8B C9B . 1.429(5) ?
    C8B H8B . 0.9500 ?
    C9B C10B . 1.494(5) ?
    C10B H10D . 0.9800 ?
    C10B H10E . 0.9800 ?
    C10B H10F . 0.9800 ?
    C11B C12B . 1.512(6) ?
    C11B C13B . 1.542(7) ?
    C11B H11B . 1.0000 ?
    C12B H12D . 0.9800 ?
    C12B H12E . 0.9800 ?
    C12B H12F . 0.9800 ?
    C13B H13D . 0.9800 ?
    C13B H13E . 0.9800 ?
    C13B H13F . 0.9800 ?
    C14B C19B . 1.397(5) ?
    C14B C15B . 1.399(5) ?
    C15B C16B . 1.391(5) ?
    C15B C20B . 1.499(5) ?
    C16B C17B . 1.394(6) ?
    C16B H16B . 0.9500 ?
    C17B C18B . 1.381(6) ?
    C17B C21B . 1.501(5) ?
    C18B C19B . 1.392(5) ?
    C18B H18B . 0.9500 ?
    C19B C22B . 1.498(5) ?
    C20B H20D . 0.9800 ?
    C20B H20E . 0.9800 ?
    C20B H20F . 0.9800 ?
    C21B H21D . 0.9800 ?
    C21B H21E . 0.9800 ?
    C21B H21F . 0.9800 ?
    C22B H22D . 0.9800 ?
    C22B H22E . 0.9800 ?
    C22B H22F . 0.9800 ?
    C23B C24B . 1.385(5) ?
    C23B C28B . 1.393(5) ?
    C24B C25B . 1.387(6) ?
    C24B C29B . 1.507(5) ?
    C25B C26B . 1.380(6) ?
    C25B H25B . 0.9500 ?
    C26B C27B . 1.395(5) ?
    C26B C30B . 1.508(6) ?
    C27B C28B . 1.390(5) ?
    C27B H27B . 0.9500 ?
    C28B C31B . 1.498(5) ?
    C29B H29D . 0.9800 ?
    C29B H29E . 0.9800 ?
    C29B H29F . 0.9800 ?
    C30B H30D . 0.9800 ?
    C30B H30E . 0.9800 ?
    C30B H30F . 0.9800 ?
    C31B H31D . 0.9800 ?
    C31B H31E . 0.9800 ?
    C31B H31F . 0.9800 ?
    C32B C33B . 1.523(5) ?
    C33B C34B . 1.374(5) ?
    C33B C38B . 1.387(6) ?
    C34B C35B . 1.384(6) ?
    C35B C36B . 1.368(6) ?
    C36B C37B . 1.363(6) ?
    C37B C38B . 1.383(6) ?
    C39B C40B . 1.520(5) ?
    C40B C45B . 1.391(5) ?
    C40B C41B . 1.396(5) ?
    C41B C42B . 1.381(5) ?
    C42B C43B . 1.377(5) ?
    C43B C44B . 1.363(5) ?
    C44B C45B . 1.383(5) ?
    C1X Cl1 . 1.759(4) ?
    C1X Cl2 . 1.771(4) ?
    C1X H1X1 . 0.9900 ?
    C1X H1X2 . 0.9900 ?
    C2X Cl3 . 1.742(4) ?
    C2X Cl4 . 1.760(5) ?
    C2X H2X1 . 0.9900 ?
    C2X H2X2 . 0.9900 ?
    C3X Cl5 . 1.744(5) ?
    C3X Cl6 . 1.789(6) ?
    C3X H3X1 . 0.9900 ?
    C3X H3X2 . 0.9900 ?
    C4X Cl8 . 1.770(5) ?
    C4X Cl7 . 1.776(5) ?
    C4X H4X1 . 0.9900 ?
    C4X H4X2 . 0.9900 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1A Ru1A O3A . . 78.67(10) ?
    O1A Ru1A C1A . . 78.32(11) ?
    O3A Ru1A C1A . . 88.46(11) ?
    O1A Ru1A C7A . . 129.89(16) ?
    O3A Ru1A C7A . . 151.38(16) ?
    C1A Ru1A C7A . . 95.31(13) ?
    O1A Ru1A C8A . . 167.02(14) ?
    O3A Ru1A C8A . . 113.98(15) ?
    C1A Ru1A C8A . . 98.46(13) ?
    C7A Ru1A C8A . . 37.40(18) ?
    O1A Ru1A C6A . . 101.24(13) ?
    O3A Ru1A C6A . . 154.25(12) ?
    C1A Ru1A C6A . . 116.94(13) ?
    C7A Ru1A C6A . . 38.06(16) ?
    C8A Ru1A C6A . . 68.78(17) ?
    O1A Ru1A C4A . . 117.80(11) ?
    O3A Ru1A C4A . . 90.37(12) ?
    C1A Ru1A C4A . . 163.24(13) ?
    C7A Ru1A C4A . . 78.00(14) ?
    C8A Ru1A C4A . . 66.86(14) ?
    C6A Ru1A C4A . . 66.63(14) ?
    O1A Ru1A C9A . . 152.72(12) ?
    O3A Ru1A C9A . . 87.87(13) ?
    C1A Ru1A C9A . . 125.35(14) ?
    C7A Ru1A C9A . . 66.86(17) ?
    C8A Ru1A C9A . . 36.95(15) ?
    C6A Ru1A C9A . . 80.86(16) ?
    C4A Ru1A C9A . . 37.89(13) ?
    O1A Ru1A C5A . . 97.34(12) ?
    O3A Ru1A C5A . . 116.79(12) ?
    C1A Ru1A C5A . . 153.30(14) ?
    C7A Ru1A C5A . . 67.05(14) ?
    C8A Ru1A C5A . . 79.83(15) ?
    C6A Ru1A C5A . . 37.45(13) ?
    C4A Ru1A C5A . . 36.21(15) ?
    C9A Ru1A C5A . . 67.65(15) ?
    C32A O1A Ru1A . . 128.3(2) ?
    C39A O3A Ru1A . . 121.1(2) ?
    C1A N1A C2A . . 111.9(3) ?
    C1A N1A C14A . . 130.6(3) ?
    C2A N1A C14A . . 117.0(3) ?
    C1A N2A C3A . . 111.7(3) ?
    C1A N2A C23A . . 130.3(3) ?
    C3A N2A C23A . . 117.0(3) ?
    N2A C1A N1A . . 102.8(3) ?
    N2A C1A Ru1A . . 126.8(2) ?
    N1A C1A Ru1A . . 129.1(2) ?
    C3A C2A N1A . . 106.9(3) ?
    C3A C2A H2A . . 126.6 ?
    N1A C2A H2A . . 126.6 ?
    C2A C3A N2A . . 106.7(3) ?
    C2A C3A H3A . . 126.6 ?
    N2A C3A H3A . . 126.6 ?
    C5A C4A C9A . . 122.5(4) ?
    C5A C4A Ru1A . . 72.2(2) ?
    C9A C4A Ru1A . . 71.1(2) ?
    C5A C4A H4A . . 118.7 ?
    C9A C4A H4A . . 118.7 ?
    Ru1A C4A H4A . . 130.9 ?
    C4A C5A C6A . . 120.3(4) ?
    C4A C5A Ru1A . . 71.6(2) ?
    C6A C5A Ru1A . . 70.9(2) ?
    C4A C5A H5A . . 119.8 ?
    C6A C5A H5A . . 119.8 ?
    Ru1A C5A H5A . . 130.3 ?
    C5A C6A C7A . . 116.6(4) ?
    C5A C6A C10A . . 120.0(4) ?
    C7A C6A C10A . . 123.3(4) ?
    C5A C6A Ru1A . . 71.6(2) ?
    C7A C6A Ru1A . . 69.6(2) ?
    C10A C6A Ru1A . . 132.2(3) ?
    C8A C7A C6A . . 122.9(3) ?
    C8A C7A Ru1A . . 71.8(2) ?
    C6A C7A Ru1A . . 72.3(2) ?
    C8A C7A H7A . . 118.6 ?
    C6A C7A H7A . . 118.6 ?
    Ru1A C7A H7A . . 130.0 ?
    C9A C8A C7A . . 119.8(4) ?
    C9A C8A Ru1A . . 72.5(2) ?
    C7A C8A Ru1A . . 70.8(2) ?
    C9A C8A H8A . . 120.1 ?
    C7A C8A H8A . . 120.1 ?
    Ru1A C8A H8A . . 128.9 ?
    C8A C9A C4A . . 117.8(4) ?
    C8A C9A C11A . . 124.8(4) ?
    C4A C9A C11A . . 117.4(4) ?
    C8A C9A Ru1A . . 70.5(2) ?
    C4A C9A Ru1A . . 71.0(2) ?
    C11A C9A Ru1A . . 131.5(3) ?
    C6A C10A H10A . . 109.5 ?
    C6A C10A H10B . . 109.5 ?
    H10A C10A H10B . . 109.5 ?
    C6A C10A H10C . . 109.5 ?
    H10A C10A H10C . . 109.5 ?
    H10B C10A H10C . . 109.5 ?
    C13A C11A C12A . . 111.2(4) ?
    C13A C11A C9A . . 116.4(4) ?
    C12A C11A C9A . . 107.4(4) ?
    C13A C11A H11A . . 107.2 ?
    C12A C11A H11A . . 107.2 ?
    C9A C11A H11A . . 107.2 ?
    C11A C12A H12A . . 109.5 ?
    C11A C12A H12B . . 109.5 ?
    H12A C12A H12B . . 109.5 ?
    C11A C12A H12C . . 109.5 ?
    H12A C12A H12C . . 109.5 ?
    H12B C12A H12C . . 109.5 ?
    C11A C13A H13A . . 109.5 ?
    C11A C13A H13B . . 109.5 ?
    H13A C13A H13B . . 109.5 ?
    C11A C13A H13C . . 109.5 ?
    H13A C13A H13C . . 109.5 ?
    H13B C13A H13C . . 109.5 ?
    C15A C14A C19A . . 121.7(4) ?
    C15A C14A N1A . . 118.5(3) ?
    C19A C14A N1A . . 118.7(3) ?
    C14A C15A C16A . . 117.8(4) ?
    C14A C15A C20A . . 121.2(4) ?
    C16A C15A C20A . . 121.0(4) ?
    C17A C16A C15A . . 122.2(4) ?
    C17A C16A H16A . . 118.9 ?
    C15A C16A H16A . . 118.9 ?
    C16A C17A C18A . . 118.0(4) ?
    C16A C17A C21A . . 120.8(4) ?
    C18A C17A C21A . . 121.2(4) ?
    C19A C18A C17A . . 122.5(3) ?
    C19A C18A H18A . . 118.7 ?
    C17A C18A H18A . . 118.7 ?
    C18A C19A C14A . . 117.6(3) ?
    C18A C19A C22A . . 121.3(3) ?
    C14A C19A C22A . . 121.1(3) ?
    C15A C20A H20A . . 109.5 ?
    C15A C20A H20B . . 109.5 ?
    H20A C20A H20B . . 109.5 ?
    C15A C20A H20C . . 109.5 ?
    H20A C20A H20C . . 109.5 ?
    H20B C20A H20C . . 109.5 ?
    C17A C21A H21A . . 109.5 ?
    C17A C21A H21B . . 109.5 ?
    H21A C21A H21B . . 109.5 ?
    C17A C21A H21C . . 109.5 ?
    H21A C21A H21C . . 109.5 ?
    H21B C21A H21C . . 109.5 ?
    C19A C22A H22A . . 109.5 ?
    C19A C22A H22B . . 109.5 ?
    H22A C22A H22B . . 109.5 ?
    C19A C22A H22C . . 109.5 ?
    H22A C22A H22C . . 109.5 ?
    H22B C22A H22C . . 109.5 ?
    C24A C23A C28A . . 122.3(3) ?
    C24A C23A N2A . . 119.6(3) ?
    C28A C23A N2A . . 117.4(3) ?
    C23A C24A C25A . . 117.6(3) ?
    C23A C24A C31A . . 122.1(3) ?
    C25A C24A C31A . . 120.2(3) ?
    C26A C25A C24A . . 122.3(4) ?
    C26A C25A H25A . . 118.8 ?
    C24A C25A H25A . . 118.8 ?
    C25A C26A C27A . . 118.3(3) ?
    C25A C26A C30A . . 121.9(4) ?
    C27A C26A C30A . . 119.8(3) ?
    C28A C27A C26A . . 121.4(3) ?
    C28A C27A H27A . . 119.3 ?
    C26A C27A H27A . . 119.3 ?
    C27A C28A C23A . . 118.0(3) ?
    C27A C28A C29A . . 119.9(3) ?
    C23A C28A C29A . . 122.1(3) ?
    C28A C29A H29A . . 109.5 ?
    C28A C29A H29B . . 109.5 ?
    H29A C29A H29B . . 109.5 ?
    C28A C29A H29C . . 109.5 ?
    H29A C29A H29C . . 109.5 ?
    H29B C29A H29C . . 109.5 ?
    C26A C30A H30A . . 109.5 ?
    C26A C30A H30B . . 109.5 ?
    H30A C30A H30B . . 109.5 ?
    C26A C30A H30C . . 109.5 ?
    H30A C30A H30C . . 109.5 ?
    H30B C30A H30C . . 109.5 ?
    C24A C31A H31A . . 109.5 ?
    C24A C31A H31B . . 109.5 ?
    H31A C31A H31B . . 109.5 ?
    C24A C31A H31C . . 109.5 ?
    H31A C31A H31C . . 109.5 ?
    H31B C31A H31C . . 109.5 ?
    O2A C32A O1A . . 128.5(3) ?
    O2A C32A C33A . . 118.8(3) ?
    O1A C32A C33A . . 112.7(3) ?
    C38A C33A C34A . . 115.5(3) ?
    C38A C33A C32A . . 121.3(3) ?
    C34A C33A C32A . . 123.2(3) ?
    F1A C34A C35A . . 115.9(3) ?
    F1A C34A C33A . . 121.2(3) ?
    C35A C34A C33A . . 122.8(3) ?
    F2A C35A C36A . . 120.0(3) ?
    F2A C35A C34A . . 120.5(3) ?
    C36A C35A C34A . . 119.5(3) ?
    F3A C36A C37A . . 120.8(3) ?
    F3A C36A C35A . . 119.7(3) ?
    C37A C36A C35A . . 119.5(3) ?
    F4A C37A C36A . . 119.3(3) ?
    F4A C37A C38A . . 120.5(3) ?
    C36A C37A C38A . . 120.2(3) ?
    F5A C38A C37A . . 116.3(3) ?
    F5A C38A C33A . . 121.3(3) ?
    C37A C38A C33A . . 122.4(3) ?
    O4A C39A O3A . . 129.8(4) ?
    O4A C39A C40A . . 118.2(3) ?
    O3A C39A C40A . . 112.0(3) ?
    C41A C40A C45A . . 117.3(4) ?
    C41A C40A C39A . . 121.3(4) ?
    C45A C40A C39A . . 121.4(3) ?
    F6A C41A C40A . . 119.9(4) ?
    F6A C41A C42A . . 117.9(4) ?
    C40A C41A C42A . . 122.2(4) ?
    F7A C42A C43A . . 120.2(4) ?
    F7A C42A C41A . . 120.5(4) ?
    C43A C42A C41A . . 119.3(4) ?
    F8A C43A C44A . . 119.6(4) ?
    F8A C43A C42A . . 120.2(4) ?
    C44A C43A C42A . . 120.1(4) ?
    F9A C44A C43A . . 120.5(4) ?
    F9A C44A C45A . . 120.3(4) ?
    C43A C44A C45A . . 119.2(4) ?
    F10A C45A C40A . . 121.0(4) ?
    F10A C45A C44A . . 117.2(4) ?
    C40A C45A C44A . . 121.9(4) ?
    O3B Ru1B O1B . . 78.16(10) ?
    O3B Ru1B C1B . . 78.35(11) ?
    O1B Ru1B C1B . . 87.44(11) ?
    O3B Ru1B C5B . . 161.39(12) ?
    O1B Ru1B C5B . . 119.95(13) ?
    C1B Ru1B C5B . . 97.15(13) ?
    O3B Ru1B C7B . . 120.91(11) ?
    O1B Ru1B C7B . . 89.09(11) ?
    C1B Ru1B C7B . . 159.19(13) ?
    C5B Ru1B C7B . . 67.09(13) ?
    O3B Ru1B C8B . . 98.07(11) ?
    O1B Ru1B C8B . . 113.48(11) ?
    C1B Ru1B C8B . . 157.82(13) ?
    C5B Ru1B C8B . . 79.21(13) ?
    C7B Ru1B C8B . . 36.65(14) ?
    O3B Ru1B C4B . . 124.52(12) ?
    O1B Ru1B C4B . . 157.31(12) ?
    C1B Ru1B C4B . . 97.37(13) ?
    C5B Ru1B C4B . . 37.54(14) ?
    C7B Ru1B C4B . . 78.55(13) ?
    C8B Ru1B C4B . . 66.36(13) ?
    O3B Ru1B C6B . . 156.81(11) ?
    O1B Ru1B C6B . . 90.97(12) ?
    C1B Ru1B C6B . . 122.03(13) ?
    C5B Ru1B C6B . . 37.62(13) ?
    C7B Ru1B C6B . . 37.51(12) ?
    C8B Ru1B C6B . . 67.33(13) ?
    C4B Ru1B C6B . . 67.64(14) ?
    O3B Ru1B C9B . . 99.37(12) ?
    O1B Ru1B C9B . . 150.65(11) ?
    C1B Ru1B C9B . . 121.03(13) ?
    C5B Ru1B C9B . . 67.23(14) ?
    C7B Ru1B C9B . . 66.84(13) ?
    C8B Ru1B C9B . . 37.38(12) ?
    C4B Ru1B C9B . . 36.55(13) ?
    C6B Ru1B C9B . . 80.09(14) ?
    C32B O1B Ru1B . . 120.6(2) ?
    C39B O3B Ru1B . . 127.4(2) ?
    C1B N1B C2B . . 111.7(3) ?
    C1B N1B C14B . . 128.6(3) ?
    C2B N1B C14B . . 118.7(3) ?
    C1B N2B C3B . . 111.5(3) ?
    C1B N2B C23B . . 130.0(3) ?
    C3B N2B C23B . . 117.9(3) ?
    N1B C1B N2B . . 102.9(3) ?
    N1B C1B Ru1B . . 126.7(2) ?
    N2B C1B Ru1B . . 129.4(2) ?
    C3B C2B N1B . . 107.3(3) ?
    C3B C2B H2B . . 126.4 ?
    N1B C2B H2B . . 126.4 ?
    C2B C3B N2B . . 106.6(3) ?
    C2B C3B H3B . . 126.7 ?
    N2B C3B H3B . . 126.7 ?
    C9B C4B C5B . . 121.0(3) ?
    C9B C4B Ru1B . . 72.9(2) ?
    C5B C4B Ru1B . . 69.6(2) ?
    C9B C4B H4B . . 119.5 ?
    C5B C4B H4B . . 119.5 ?
    Ru1B C4B H4B . . 130.7 ?
    C4B C5B C6B . . 121.4(3) ?
    C4B C5B Ru1B . . 72.9(2) ?
    C6B C5B Ru1B . . 72.9(2) ?
    C4B C5B H5B . . 119.3 ?
    C6B C5B H5B . . 119.3 ?
    Ru1B C5B H5B . . 127.0 ?
    C5B C6B C7B . . 117.0(3) ?
    C5B C6B C11B . . 120.8(3) ?
    C7B C6B C11B . . 122.2(3) ?
    C5B C6B Ru1B . . 69.5(2) ?
    C7B C6B Ru1B . . 70.81(19) ?
    C11B C6B Ru1B . . 132.3(3) ?
    C8B C7B C6B . . 121.6(3) ?
    C8B C7B Ru1B . . 71.69(19) ?
    C6B C7B Ru1B . . 71.68(19) ?
    C8B C7B H7B . . 119.2 ?
    C6B C7B H7B . . 119.2 ?
    Ru1B C7B H7B . . 130.1 ?
    C7B C8B C9B . . 121.2(3) ?
    C7B C8B Ru1B . . 71.66(19) ?
    C9B C8B Ru1B . . 72.85(19) ?
    C7B C8B H8B . . 119.4 ?
    C9B C8B H8B . . 119.4 ?
    Ru1B C8B H8B . . 128.4 ?
    C4B C9B C8B . . 117.7(3) ?
    C4B C9B C10B . . 121.4(3) ?
    C8B C9B C10B . . 120.8(3) ?
    C4B C9B Ru1B . . 70.5(2) ?
    C8B C9B Ru1B . . 69.77(19) ?
    C10B C9B Ru1B . . 133.8(3) ?
    C9B C10B H10D . . 109.5 ?
    C9B C10B H10E . . 109.5 ?
    H10D C10B H10E . . 109.5 ?
    C9B C10B H10F . . 109.5 ?
    H10D C10B H10F . . 109.5 ?
    H10E C10B H10F . . 109.5 ?
    C6B C11B C12B . . 113.5(3) ?
    C6B C11B C13B . . 108.8(4) ?
    C12B C11B C13B . . 107.8(4) ?
    C6B C11B H11B . . 108.9 ?
    C12B C11B H11B . . 108.9 ?
    C13B C11B H11B . . 108.9 ?
    C11B C12B H12D . . 109.5 ?
    C11B C12B H12E . . 109.5 ?
    H12D C12B H12E . . 109.5 ?
    C11B C12B H12F . . 109.5 ?
    H12D C12B H12F . . 109.5 ?
    H12E C12B H12F . . 109.5 ?
    C11B C13B H13D . . 109.5 ?
    C11B C13B H13E . . 109.5 ?
    H13D C13B H13E . . 109.5 ?
    C11B C13B H13F . . 109.5 ?
    H13D C13B H13F . . 109.5 ?
    H13E C13B H13F . . 109.5 ?
    C19B C14B C15B . . 121.7(3) ?
    C19B C14B N1B . . 120.1(3) ?
    C15B C14B N1B . . 117.8(3) ?
    C16B C15B C14B . . 118.1(3) ?
    C16B C15B C20B . . 120.5(3) ?
    C14B C15B C20B . . 121.5(3) ?
    C15B C16B C17B . . 121.7(3) ?
    C15B C16B H16B . . 119.1 ?
    C17B C16B H16B . . 119.1 ?
    C18B C17B C16B . . 118.2(4) ?
    C18B C17B C21B . . 122.0(4) ?
    C16B C17B C21B . . 119.8(4) ?
    C17B C18B C19B . . 122.5(4) ?
    C17B C18B H18B . . 118.8 ?
    C19B C18B H18B . . 118.8 ?
    C18B C19B C14B . . 117.6(3) ?
    C18B C19B C22B . . 120.6(3) ?
    C14B C19B C22B . . 121.7(3) ?
    C15B C20B H20D . . 109.5 ?
    C15B C20B H20E . . 109.5 ?
    H20D C20B H20E . . 109.5 ?
    C15B C20B H20F . . 109.5 ?
    H20D C20B H20F . . 109.5 ?
    H20E C20B H20F . . 109.5 ?
    C17B C21B H21D . . 109.5 ?
    C17B C21B H21E . . 109.5 ?
    H21D C21B H21E . . 109.5 ?
    C17B C21B H21F . . 109.5 ?
    H21D C21B H21F . . 109.5 ?
    H21E C21B H21F . . 109.5 ?
    C19B C22B H22D . . 109.5 ?
    C19B C22B H22E . . 109.5 ?
    H22D C22B H22E . . 109.5 ?
    C19B C22B H22F . . 109.5 ?
    H22D C22B H22F . . 109.5 ?
    H22E C22B H22F . . 109.5 ?
    C24B C23B C28B . . 122.4(3) ?
    C24B C23B N2B . . 118.4(3) ?
    C28B C23B N2B . . 118.9(3) ?
    C23B C24B C25B . . 118.1(3) ?
    C23B C24B C29B . . 121.5(3) ?
    C25B C24B C29B . . 120.4(3) ?
    C26B C25B C24B . . 121.9(4) ?
    C26B C25B H25B . . 119.0 ?
    C24B C25B H25B . . 119.0 ?
    C25B C26B C27B . . 118.2(4) ?
    C25B C26B C30B . . 120.1(4) ?
    C27B C26B C30B . . 121.7(4) ?
    C28B C27B C26B . . 122.0(3) ?
    C28B C27B H27B . . 119.0 ?
    C26B C27B H27B . . 119.0 ?
    C27B C28B C23B . . 117.3(3) ?
    C27B C28B C31B . . 121.2(3) ?
    C23B C28B C31B . . 121.4(3) ?
    C24B C29B H29D . . 109.5 ?
    C24B C29B H29E . . 109.5 ?
    H29D C29B H29E . . 109.5 ?
    C24B C29B H29F . . 109.5 ?
    H29D C29B H29F . . 109.5 ?
    H29E C29B H29F . . 109.5 ?
    C26B C30B H30D . . 109.5 ?
    C26B C30B H30E . . 109.5 ?
    H30D C30B H30E . . 109.5 ?
    C26B C30B H30F . . 109.5 ?
    H30D C30B H30F . . 109.5 ?
    H30E C30B H30F . . 109.5 ?
    C28B C31B H31D . . 109.5 ?
    C28B C31B H31E . . 109.5 ?
    H31D C31B H31E . . 109.5 ?
    C28B C31B H31F . . 109.5 ?
    H31D C31B H31F . . 109.5 ?
    H31E C31B H31F . . 109.5 ?
    O2B C32B O1B . . 129.1(3) ?
    O2B C32B C33B . . 117.3(3) ?
    O1B C32B C33B . . 113.5(3) ?
    C34B C33B C38B . . 116.7(3) ?
    C34B C33B C32B . . 121.0(3) ?
    C38B C33B C32B . . 122.2(3) ?
    F1B C34B C33B . . 119.9(3) ?
    F1B C34B C35B . . 117.8(3) ?
    C33B C34B C35B . . 122.3(4) ?
    F2B C35B C36B . . 120.0(4) ?
    F2B C35B C34B . . 120.8(4) ?
    C36B C35B C34B . . 119.2(4) ?
    F3B C36B C37B . . 119.2(4) ?
    F3B C36B C35B . . 120.3(4) ?
    C37B C36B C35B . . 120.5(4) ?
    F4B C37B C36B . . 120.2(4) ?
    F4B C37B C38B . . 120.3(4) ?
    C36B C37B C38B . . 119.4(4) ?
    F5B C38B C37B . . 117.5(4) ?
    F5B C38B C33B . . 120.6(3) ?
    C37B C38B C33B . . 121.9(4) ?
    O4B C39B O3B . . 129.2(3) ?
    O4B C39B C40B . . 117.6(3) ?
    O3B C39B C40B . . 113.1(3) ?
    C45B C40B C41B . . 115.7(3) ?
    C45B C40B C39B . . 121.3(3) ?
    C41B C40B C39B . . 123.0(3) ?
    F6B C41B C42B . . 116.3(3) ?
    F6B C41B C40B . . 121.1(3) ?
    C42B C41B C40B . . 122.6(3) ?
    F7B C42B C43B . . 120.1(3) ?
    F7B C42B C41B . . 120.6(3) ?
    C43B C42B C41B . . 119.3(3) ?
    F8B C43B C44B . . 120.4(3) ?
    F8B C43B C42B . . 119.5(3) ?
    C44B C43B C42B . . 120.1(3) ?
    F9B C44B C43B . . 119.9(3) ?
    F9B C44B C45B . . 120.2(3) ?
    C43B C44B C45B . . 120.0(3) ?
    F10B C45B C44B . . 117.1(3) ?
    F10B C45B C40B . . 120.6(3) ?
    C44B C45B C40B . . 122.3(3) ?
    Cl1 C1X Cl2 . . 111.0(2) ?
    Cl1 C1X H1X1 . . 109.4 ?
    Cl2 C1X H1X1 . . 109.4 ?
    Cl1 C1X H1X2 . . 109.4 ?
    Cl2 C1X H1X2 . . 109.4 ?
    H1X1 C1X H1X2 . . 108.0 ?
    Cl3 C2X Cl4 . . 109.9(2) ?
    Cl3 C2X H2X1 . . 109.7 ?
    Cl4 C2X H2X1 . . 109.7 ?
    Cl3 C2X H2X2 . . 109.7 ?
    Cl4 C2X H2X2 . . 109.7 ?
    H2X1 C2X H2X2 . . 108.2 ?
    Cl5 C3X Cl6 . . 110.2(3) ?
    Cl5 C3X H3X1 . . 109.6 ?
    Cl6 C3X H3X1 . . 109.6 ?
    Cl5 C3X H3X2 . . 109.6 ?
    Cl6 C3X H3X2 . . 109.6 ?
    H3X1 C3X H3X2 . . 108.1 ?
    Cl8 C4X Cl7 . . 110.4(2) ?
    Cl8 C4X H4X1 . . 109.6 ?
    Cl7 C4X H4X1 . . 109.6 ?
    Cl8 C4X H4X2 . . 109.6 ?
    Cl7 C4X H4X2 . . 109.6 ?
    H4X1 C4X H4X2 . . 108.1 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O3A Ru1A O1A C32A . . . . 111.5(3) ?
    C1A Ru1A O1A C32A . . . . -157.8(3) ?
    C7A Ru1A O1A C32A . . . . -70.6(3) ?
    C8A Ru1A O1A C32A . . . . -81.0(6) ?
    C6A Ru1A O1A C32A . . . . -42.3(3) ?
    C4A Ru1A O1A C32A . . . . 27.1(3) ?
    C9A Ru1A O1A C32A . . . . 49.6(4) ?
    C5A Ru1A O1A C32A . . . . -4.5(3) ?
    O1A Ru1A O3A C39A . . . . -64.8(3) ?
    C1A Ru1A O3A C39A . . . . -143.2(3) ?
    C7A Ru1A O3A C39A . . . . 118.6(3) ?
    C8A Ru1A O3A C39A . . . . 118.3(3) ?
    C6A Ru1A O3A C39A . . . . 27.7(5) ?
    C4A Ru1A O3A C39A . . . . 53.6(3) ?
    C9A Ru1A O3A C39A . . . . 91.4(3) ?
    C5A Ru1A O3A C39A . . . . 27.8(3) ?
    C3A N2A C1A N1A . . . . 0.5(4) ?
    C23A N2A C1A N1A . . . . -167.9(3) ?
    C3A N2A C1A Ru1A . . . . -167.7(2) ?
    C23A N2A C1A Ru1A . . . . 23.9(5) ?
    C2A N1A C1A N2A . . . . -0.5(4) ?
    C14A N1A C1A N2A . . . . 170.3(3) ?
    C2A N1A C1A Ru1A . . . . 167.3(3) ?
    C14A N1A C1A Ru1A . . . . -22.0(5) ?
    O1A Ru1A C1A N2A . . . . 80.1(3) ?
    O3A Ru1A C1A N2A . . . . 158.8(3) ?
    C7A Ru1A C1A N2A . . . . -49.6(3) ?
    C8A Ru1A C1A N2A . . . . -87.2(3) ?
    C6A Ru1A C1A N2A . . . . -16.7(3) ?
    C4A Ru1A C1A N2A . . . . -115.0(5) ?
    C9A Ru1A C1A N2A . . . . -114.9(3) ?
    C5A Ru1A C1A N2A . . . . -3.0(5) ?
    O1A Ru1A C1A N1A . . . . -85.0(3) ?
    O3A Ru1A C1A N1A . . . . -6.2(3) ?
    C7A Ru1A C1A N1A . . . . 145.3(3) ?
    C8A Ru1A C1A N1A . . . . 107.8(3) ?
    C6A Ru1A C1A N1A . . . . 178.2(3) ?
    C4A Ru1A C1A N1A . . . . 79.9(6) ?
    C9A Ru1A C1A N1A . . . . 80.1(3) ?
    C5A Ru1A C1A N1A . . . . -168.0(3) ?
    C1A N1A C2A C3A . . . . 0.4(4) ?
    C14A N1A C2A C3A . . . . -171.8(3) ?
    N1A C2A C3A N2A . . . . -0.1(4) ?
    C1A N2A C3A C2A . . . . -0.3(4) ?
    C23A N2A C3A C2A . . . . 169.8(3) ?
    O1A Ru1A C4A C5A . . . . -61.6(2) ?
    O3A Ru1A C4A C5A . . . . -139.0(2) ?
    C1A Ru1A C4A C5A . . . . 135.2(5) ?
    C7A Ru1A C4A C5A . . . . 67.4(2) ?
    C8A Ru1A C4A C5A . . . . 105.0(3) ?
    C6A Ru1A C4A C5A . . . . 29.1(2) ?
    C9A Ru1A C4A C5A . . . . 135.0(3) ?
    O1A Ru1A C4A C9A . . . . 163.4(2) ?
    O3A Ru1A C4A C9A . . . . 86.1(2) ?
    C1A Ru1A C4A C9A . . . . 0.2(6) ?
    C7A Ru1A C4A C9A . . . . -67.6(3) ?
    C8A Ru1A C4A C9A . . . . -30.0(3) ?
    C6A Ru1A C4A C9A . . . . -105.9(3) ?
    C5A Ru1A C4A C9A . . . . -135.0(3) ?
    C9A C4A C5A C6A . . . . -1.0(5) ?
    Ru1A C4A C5A C6A . . . . -53.5(3) ?
    C9A C4A C5A Ru1A . . . . 52.5(3) ?
    O1A Ru1A C5A C4A . . . . 128.3(2) ?
    O3A Ru1A C5A C4A . . . . 47.4(2) ?
    C1A Ru1A C5A C4A . . . . -153.1(3) ?
    C7A Ru1A C5A C4A . . . . -101.3(3) ?
    C8A Ru1A C5A C4A . . . . -64.5(2) ?
    C6A Ru1A C5A C4A . . . . -132.7(3) ?
    C9A Ru1A C5A C4A . . . . -28.0(2) ?
    O1A Ru1A C5A C6A . . . . -98.9(2) ?
    O3A Ru1A C5A C6A . . . . -179.9(2) ?
    C1A Ru1A C5A C6A . . . . -20.4(4) ?
    C7A Ru1A C5A C6A . . . . 31.4(3) ?
    C8A Ru1A C5A C6A . . . . 68.3(3) ?
    C4A Ru1A C5A C6A . . . . 132.7(3) ?
    C9A Ru1A C5A C6A . . . . 104.7(3) ?
    C4A C5A C6A C7A . . . . -0.9(5) ?
    Ru1A C5A C6A C7A . . . . -54.8(3) ?
    C4A C5A C6A C10A . . . . -177.4(3) ?
    Ru1A C5A C6A C10A . . . . 128.7(4) ?
    C4A C5A C6A Ru1A . . . . 53.8(3) ?
    O1A Ru1A C6A C5A . . . . 87.4(2) ?
    O3A Ru1A C6A C5A . . . . 0.2(5) ?
    C1A Ru1A C6A C5A . . . . 169.9(2) ?
    C7A Ru1A C6A C5A . . . . -128.8(4) ?
    C8A Ru1A C6A C5A . . . . -101.3(3) ?
    C4A Ru1A C6A C5A . . . . -28.2(2) ?
    C9A Ru1A C6A C5A . . . . -65.0(2) ?
    O1A Ru1A C6A C7A . . . . -143.8(2) ?
    O3A Ru1A C6A C7A . . . . 129.0(3) ?
    C1A Ru1A C6A C7A . . . . -61.3(3) ?
    C8A Ru1A C6A C7A . . . . 27.6(2) ?
    C4A Ru1A C6A C7A . . . . 100.6(3) ?
    C9A Ru1A C6A C7A . . . . 63.9(2) ?
    C5A Ru1A C6A C7A . . . . 128.8(4) ?
    O1A Ru1A C6A C10A . . . . -26.8(4) ?
    O3A Ru1A C6A C10A . . . . -114.0(4) ?
    C1A Ru1A C6A C10A . . . . 55.7(4) ?
    C7A Ru1A C6A C10A . . . . 117.0(5) ?
    C8A Ru1A C6A C10A . . . . 144.5(4) ?
    C4A Ru1A C6A C10A . . . . -142.4(4) ?
    C9A Ru1A C6A C10A . . . . -179.2(4) ?
    C5A Ru1A C6A C10A . . . . -114.2(5) ?
    C5A C6A C7A C8A . . . . 2.3(5) ?
    C10A C6A C7A C8A . . . . 178.7(4) ?
    Ru1A C6A C7A C8A . . . . -53.5(3) ?
    C5A C6A C7A Ru1A . . . . 55.8(3) ?
    C10A C6A C7A Ru1A . . . . -127.8(4) ?
    O1A Ru1A C7A C8A . . . . -176.19(19) ?
    O3A Ru1A C7A C8A . . . . -0.5(4) ?
    C1A Ru1A C7A C8A . . . . -97.0(2) ?
    C6A Ru1A C7A C8A . . . . 134.7(3) ?
    C4A Ru1A C7A C8A . . . . 67.5(2) ?
    C9A Ru1A C7A C8A . . . . 29.3(2) ?
    C5A Ru1A C7A C8A . . . . 103.8(2) ?
    O1A Ru1A C7A C6A . . . . 49.1(3) ?
    O3A Ru1A C7A C6A . . . . -135.2(3) ?
    C1A Ru1A C7A C6A . . . . 128.3(2) ?
    C8A Ru1A C7A C6A . . . . -134.7(3) ?
    C4A Ru1A C7A C6A . . . . -67.3(2) ?
    C9A Ru1A C7A C6A . . . . -105.4(2) ?
    C5A Ru1A C7A C6A . . . . -31.0(2) ?
    C6A C7A C8A C9A . . . . -1.8(6) ?
    Ru1A C7A C8A C9A . . . . -55.5(3) ?
    C6A C7A C8A Ru1A . . . . 53.7(3) ?
    O1A Ru1A C8A C9A . . . . 144.6(5) ?
    O3A Ru1A C8A C9A . . . . -48.8(3) ?
    C1A Ru1A C8A C9A . . . . -140.8(3) ?
    C7A Ru1A C8A C9A . . . . 131.5(3) ?
    C6A Ru1A C8A C9A . . . . 103.5(3) ?
    C4A Ru1A C8A C9A . . . . 30.7(2) ?
    C5A Ru1A C8A C9A . . . . 66.2(3) ?
    O1A Ru1A C8A C7A . . . . 13.1(6) ?
    O3A Ru1A C8A C7A . . . . 179.76(19) ?
    C1A Ru1A C8A C7A . . . . 87.7(2) ?
    C6A Ru1A C8A C7A . . . . -28.0(2) ?
    C4A Ru1A C8A C7A . . . . -100.7(2) ?
    C9A Ru1A C8A C7A . . . . -131.5(3) ?
    C5A Ru1A C8A C7A . . . . -65.3(2) ?
    C7A C8A C9A C4A . . . . -0.2(5) ?
    Ru1A C8A C9A C4A . . . . -54.8(3) ?
    C7A C8A C9A C11A . . . . -177.8(4) ?
    Ru1A C8A C9A C11A . . . . 127.6(4) ?
    C7A C8A C9A Ru1A . . . . 54.6(3) ?
    C5A C4A C9A C8A . . . . 1.6(5) ?
    Ru1A C4A C9A C8A . . . . 54.6(3) ?
    C5A C4A C9A C11A . . . . 179.3(3) ?
    Ru1A C4A C9A C11A . . . . -127.7(3) ?
    C5A C4A C9A Ru1A . . . . -53.0(3) ?
    O1A Ru1A C9A C8A . . . . -163.5(3) ?
    O3A Ru1A C9A C8A . . . . 136.6(3) ?
    C1A Ru1A C9A C8A . . . . 50.0(3) ?
    C7A Ru1A C9A C8A . . . . -29.7(3) ?
    C6A Ru1A C9A C8A . . . . -66.7(3) ?
    C4A Ru1A C9A C8A . . . . -130.1(4) ?
    C5A Ru1A C9A C8A . . . . -103.2(3) ?
    O1A Ru1A C9A C4A . . . . -33.4(4) ?
    O3A Ru1A C9A C4A . . . . -93.3(2) ?
    C1A Ru1A C9A C4A . . . . -179.9(2) ?
    C7A Ru1A C9A C4A . . . . 100.4(3) ?
    C8A Ru1A C9A C4A . . . . 130.1(4) ?
    C6A Ru1A C9A C4A . . . . 63.4(2) ?
    C5A Ru1A C9A C4A . . . . 26.9(2) ?
    O1A Ru1A C9A C11A . . . . 76.8(5) ?
    O3A Ru1A C9A C11A . . . . 16.9(4) ?
    C1A Ru1A C9A C11A . . . . -69.7(4) ?
    C7A Ru1A C9A C11A . . . . -149.3(4) ?
    C8A Ru1A C9A C11A . . . . -119.7(5) ?
    C6A Ru1A C9A C11A . . . . 173.7(4) ?
    C4A Ru1A C9A C11A . . . . 110.3(5) ?
    C5A Ru1A C9A C11A . . . . 137.1(4) ?
    C8A C9A C11A C13A . . . . -27.9(6) ?
    C4A C9A C11A C13A . . . . 154.5(4) ?
    Ru1A C9A C11A C13A . . . . 66.2(5) ?
    C8A C9A C11A C12A . . . . 97.4(5) ?
    C4A C9A C11A C12A . . . . -80.2(5) ?
    Ru1A C9A C11A C12A . . . . -168.5(3) ?
    C1A N1A C14A C15A . . . . -81.6(5) ?
    C2A N1A C14A C15A . . . . 88.8(4) ?
    C1A N1A C14A C19A . . . . 109.5(4) ?
    C2A N1A C14A C19A . . . . -80.1(4) ?
    C19A C14A C15A C16A . . . . -4.0(6) ?
    N1A C14A C15A C16A . . . . -172.5(4) ?
    C19A C14A C15A C20A . . . . 173.2(4) ?
    N1A C14A C15A C20A . . . . 4.7(6) ?
    C14A C15A C16A C17A . . . . 1.0(7) ?
    C20A C15A C16A C17A . . . . -176.2(5) ?
    C15A C16A C17A C18A . . . . 0.9(7) ?
    C15A C16A C17A C21A . . . . -179.9(5) ?
    C16A C17A C18A C19A . . . . 0.1(6) ?
    C21A C17A C18A C19A . . . . -179.1(4) ?
    C17A C18A C19A C14A . . . . -2.9(5) ?
    C17A C18A C19A C22A . . . . 176.9(4) ?
    C15A C14A C19A C18A . . . . 4.9(5) ?
    N1A C14A C19A C18A . . . . 173.4(3) ?
    C15A C14A C19A C22A . . . . -174.9(4) ?
    N1A C14A C19A C22A . . . . -6.4(5) ?
    C1A N2A C23A C24A . . . . -104.4(4) ?
    C3A N2A C23A C24A . . . . 87.7(4) ?
    C1A N2A C23A C28A . . . . 85.5(4) ?
    C3A N2A C23A C28A . . . . -82.4(4) ?
    C28A C23A C24A C25A . . . . -2.8(5) ?
    N2A C23A C24A C25A . . . . -172.5(3) ?
    C28A C23A C24A C31A . . . . 175.5(3) ?
    N2A C23A C24A C31A . . . . 5.8(5) ?
    C23A C24A C25A C26A . . . . 0.4(5) ?
    C31A C24A C25A C26A . . . . -178.0(3) ?
    C24A C25A C26A C27A . . . . 1.3(5) ?
    C24A C25A C26A C30A . . . . -179.3(3) ?
    C25A C26A C27A C28A . . . . -0.7(5) ?
    C30A C26A C27A C28A . . . . 179.9(3) ?
    C26A C27A C28A C23A . . . . -1.6(5) ?
    C26A C27A C28A C29A . . . . 178.8(3) ?
    C24A C23A C28A C27A . . . . 3.4(5) ?
    N2A C23A C28A C27A . . . . 173.3(3) ?
    C24A C23A C28A C29A . . . . -176.9(3) ?
    N2A C23A C28A C29A . . . . -7.1(5) ?
    Ru1A O1A C32A O2A . . . . 16.4(5) ?
    Ru1A O1A C32A C33A . . . . -164.0(2) ?
    O2A C32A C33A C38A . . . . -27.3(5) ?
    O1A C32A C33A C38A . . . . 153.1(3) ?
    O2A C32A C33A C34A . . . . 153.7(3) ?
    O1A C32A C33A C34A . . . . -25.9(5) ?
    C38A C33A C34A F1A . . . . 175.1(3) ?
    C32A C33A C34A F1A . . . . -5.8(5) ?
    C38A C33A C34A C35A . . . . -2.6(5) ?
    C32A C33A C34A C35A . . . . 176.5(3) ?
    F1A C34A C35A F2A . . . . 2.9(5) ?
    C33A C34A C35A F2A . . . . -179.3(3) ?
    F1A C34A C35A C36A . . . . -175.5(3) ?
    C33A C34A C35A C36A . . . . 2.4(6) ?
    F2A C35A C36A F3A . . . . 0.3(5) ?
    C34A C35A C36A F3A . . . . 178.7(3) ?
    F2A C35A C36A C37A . . . . -179.3(3) ?
    C34A C35A C36A C37A . . . . -0.9(5) ?
    F3A C36A C37A F4A . . . . -0.6(5) ?
    C35A C36A C37A F4A . . . . 179.0(3) ?
    F3A C36A C37A C38A . . . . -179.7(3) ?
    C35A C36A C37A C38A . . . . -0.1(5) ?
    F4A C37A C38A F5A . . . . 0.9(5) ?
    C36A C37A C38A F5A . . . . -180.0(3) ?
    F4A C37A C38A C33A . . . . -179.3(3) ?
    C36A C37A C38A C33A . . . . -0.2(6) ?
    C34A C33A C38A F5A . . . . -178.7(3) ?
    C32A C33A C38A F5A . . . . 2.2(5) ?
    C34A C33A C38A C37A . . . . 1.5(5) ?
    C32A C33A C38A C37A . . . . -177.6(3) ?
    Ru1A O3A C39A O4A . . . . -2.9(6) ?
    Ru1A O3A C39A C40A . . . . 177.9(2) ?
    O4A C39A C40A C41A . . . . 63.5(5) ?
    O3A C39A C40A C41A . . . . -117.3(4) ?
    O4A C39A C40A C45A . . . . -114.5(4) ?
    O3A C39A C40A C45A . . . . 64.8(5) ?
    C45A C40A C41A F6A . . . . 179.5(3) ?
    C39A C40A C41A F6A . . . . 1.4(5) ?
    C45A C40A C41A C42A . . . . -1.1(6) ?
    C39A C40A C41A C42A . . . . -179.2(3) ?
    F6A C41A C42A F7A . . . . 0.5(5) ?
    C40A C41A C42A F7A . . . . -178.9(3) ?
    F6A C41A C42A C43A . . . . -179.2(3) ?
    C40A C41A C42A C43A . . . . 1.4(6) ?
    F7A C42A C43A F8A . . . . 0.2(6) ?
    C41A C42A C43A F8A . . . . 180.0(3) ?
    F7A C42A C43A C44A . . . . -179.2(4) ?
    C41A C42A C43A C44A . . . . 0.6(6) ?
    F8A C43A C44A F9A . . . . -0.3(6) ?
    C42A C43A C44A F9A . . . . 179.1(4) ?
    F8A C43A C44A C45A . . . . 178.0(4) ?
    C42A C43A C44A C45A . . . . -2.6(6) ?
    C41A C40A C45A F10A . . . . -179.1(3) ?
    C39A C40A C45A F10A . . . . -1.1(6) ?
    C41A C40A C45A C44A . . . . -1.0(6) ?
    C39A C40A C45A C44A . . . . 177.0(3) ?
    F9A C44A C45A F10A . . . . -0.6(6) ?
    C43A C44A C45A F10A . . . . -178.9(4) ?
    F9A C44A C45A C40A . . . . -178.8(4) ?
    C43A C44A C45A C40A . . . . 2.9(6) ?
    O3B Ru1B O1B C32B . . . . -63.1(3) ?
    C1B Ru1B O1B C32B . . . . -141.7(3) ?
    C5B Ru1B O1B C32B . . . . 121.5(3) ?
    C7B Ru1B O1B C32B . . . . 58.8(3) ?
    C8B Ru1B O1B C32B . . . . 30.7(3) ?
    C4B Ru1B O1B C32B . . . . 115.3(3) ?
    C6B Ru1B O1B C32B . . . . 96.3(3) ?
    C9B Ru1B O1B C32B . . . . 25.0(4) ?
    O1B Ru1B O3B C39B . . . . 108.7(3) ?
    C1B Ru1B O3B C39B . . . . -161.5(3) ?
    C5B Ru1B O3B C39B . . . . -83.9(4) ?
    C7B Ru1B O3B C39B . . . . 27.0(3) ?
    C8B Ru1B O3B C39B . . . . -3.7(3) ?
    C4B Ru1B O3B C39B . . . . -70.5(3) ?
    C6B Ru1B O3B C39B . . . . 45.1(5) ?
    C9B Ru1B O3B C39B . . . . -41.5(3) ?
    C2B N1B C1B N2B . . . . 1.2(4) ?
    C14B N1B C1B N2B . . . . -167.4(3) ?
    C2B N1B C1B Ru1B . . . . -167.7(2) ?
    C14B N1B C1B Ru1B . . . . 23.8(5) ?
    C3B N2B C1B N1B . . . . -0.8(4) ?
    C23B N2B C1B N1B . . . . 169.8(3) ?
    C3B N2B C1B Ru1B . . . . 167.7(2) ?
    C23B N2B C1B Ru1B . . . . -21.7(5) ?
    O3B Ru1B C1B N1B . . . . 83.4(3) ?
    O1B Ru1B C1B N1B . . . . 161.8(3) ?
    C5B Ru1B C1B N1B . . . . -78.3(3) ?
    C7B Ru1B C1B N1B . . . . -117.6(4) ?
    C8B Ru1B C1B N1B . . . . 0.6(5) ?
    C4B Ru1B C1B N1B . . . . -40.5(3) ?
    C6B Ru1B C1B N1B . . . . -108.7(3) ?
    C9B Ru1B C1B N1B . . . . -10.6(3) ?
    O3B Ru1B C1B N2B . . . . -82.6(3) ?
    O1B Ru1B C1B N2B . . . . -4.1(3) ?
    C5B Ru1B C1B N2B . . . . 115.7(3) ?
    C7B Ru1B C1B N2B . . . . 76.5(5) ?
    C8B Ru1B C1B N2B . . . . -165.3(3) ?
    C4B Ru1B C1B N2B . . . . 153.6(3) ?
    C6B Ru1B C1B N2B . . . . 85.4(3) ?
    C9B Ru1B C1B N2B . . . . -176.6(3) ?
    C1B N1B C2B C3B . . . . -1.2(4) ?
    C14B N1B C2B C3B . . . . 168.6(3) ?
    N1B C2B C3B N2B . . . . 0.6(4) ?
    C1B N2B C3B C2B . . . . 0.1(4) ?
    C23B N2B C3B C2B . . . . -171.7(3) ?
    O3B Ru1B C4B C9B . . . . 53.4(2) ?
    O1B Ru1B C4B C9B . . . . -124.6(3) ?
    C1B Ru1B C4B C9B . . . . 134.3(2) ?
    C5B Ru1B C4B C9B . . . . -133.5(3) ?
    C7B Ru1B C4B C9B . . . . -66.4(2) ?
    C8B Ru1B C4B C9B . . . . -30.0(2) ?
    C6B Ru1B C4B C9B . . . . -104.0(2) ?
    O3B Ru1B C4B C5B . . . . -173.06(18) ?
    O1B Ru1B C4B C5B . . . . 8.9(4) ?
    C1B Ru1B C4B C5B . . . . -92.2(2) ?
    C7B Ru1B C4B C5B . . . . 67.2(2) ?
    C8B Ru1B C4B C5B . . . . 103.6(2) ?
    C6B Ru1B C4B C5B . . . . 29.5(2) ?
    C9B Ru1B C4B C5B . . . . 133.5(3) ?
    C9B C4B C5B C6B . . . . -2.8(5) ?
    Ru1B C4B C5B C6B . . . . -56.7(3) ?
    C9B C4B C5B Ru1B . . . . 53.9(3) ?
    O3B Ru1B C5B C4B . . . . 18.2(5) ?
    O1B Ru1B C5B C4B . . . . -176.03(18) ?
    C1B Ru1B C5B C4B . . . . 92.8(2) ?
    C7B Ru1B C5B C4B . . . . -101.3(2) ?
    C8B Ru1B C5B C4B . . . . -65.0(2) ?
    C6B Ru1B C5B C4B . . . . -131.7(3) ?
    C9B Ru1B C5B C4B . . . . -27.91(19) ?
    O3B Ru1B C5B C6B . . . . 149.9(3) ?
    O1B Ru1B C5B C6B . . . . -44.3(2) ?
    C1B Ru1B C5B C6B . . . . -135.5(2) ?
    C7B Ru1B C5B C6B . . . . 30.4(2) ?
    C8B Ru1B C5B C6B . . . . 66.7(2) ?
    C4B Ru1B C5B C6B . . . . 131.7(3) ?
    C9B Ru1B C5B C6B . . . . 103.8(2) ?
    C4B C5B C6B C7B . . . . 2.4(5) ?
    Ru1B C5B C6B C7B . . . . -54.3(3) ?
    C4B C5B C6B C11B . . . . -175.5(3) ?
    Ru1B C5B C6B C11B . . . . 127.8(3) ?
    C4B C5B C6B Ru1B . . . . 56.7(3) ?
    O3B Ru1B C6B C5B . . . . -156.0(3) ?
    O1B Ru1B C6B C5B . . . . 142.8(2) ?
    C1B Ru1B C6B C5B . . . . 55.2(3) ?
    C7B Ru1B C6B C5B . . . . -130.0(3) ?
    C8B Ru1B C6B C5B . . . . -102.1(2) ?
    C4B Ru1B C6B C5B . . . . -29.5(2) ?
    C9B Ru1B C6B C5B . . . . -65.4(2) ?
    O3B Ru1B C6B C7B . . . . -26.0(4) ?
    O1B Ru1B C6B C7B . . . . -87.2(2) ?
    C1B Ru1B C6B C7B . . . . -174.8(2) ?
    C5B Ru1B C6B C7B . . . . 130.0(3) ?
    C8B Ru1B C6B C7B . . . . 27.9(2) ?
    C4B Ru1B C6B C7B . . . . 100.6(2) ?
    C9B Ru1B C6B C7B . . . . 64.7(2) ?
    O3B Ru1B C6B C11B . . . . 90.4(4) ?
    O1B Ru1B C6B C11B . . . . 29.2(3) ?
    C1B Ru1B C6B C11B . . . . -58.4(4) ?
    C5B Ru1B C6B C11B . . . . -113.6(4) ?
    C7B Ru1B C6B C11B . . . . 116.4(4) ?
    C8B Ru1B C6B C11B . . . . 144.3(4) ?
    C4B Ru1B C6B C11B . . . . -143.0(4) ?
    C9B Ru1B C6B C11B . . . . -178.9(4) ?
    C5B C6B C7B C8B . . . . -0.1(5) ?
    C11B C6B C7B C8B . . . . 177.8(3) ?
    Ru1B C6B C7B C8B . . . . -53.7(3) ?
    C5B C6B C7B Ru1B . . . . 53.6(3) ?
    C11B C6B C7B Ru1B . . . . -128.5(3) ?
    O3B Ru1B C7B C8B . . . . -57.9(2) ?
    O1B Ru1B C7B C8B . . . . -133.5(2) ?
    C1B Ru1B C7B C8B . . . . 146.1(3) ?
    C5B Ru1B C7B C8B . . . . 103.2(2) ?
    C4B Ru1B C7B C8B . . . . 65.6(2) ?
    C6B Ru1B C7B C8B . . . . 133.7(3) ?
    C9B Ru1B C7B C8B . . . . 29.2(2) ?
    O3B Ru1B C7B C6B . . . . 168.38(19) ?
    O1B Ru1B C7B C6B . . . . 92.8(2) ?
    C1B Ru1B C7B C6B . . . . 12.4(5) ?
    C5B Ru1B C7B C6B . . . . -30.5(2) ?
    C8B Ru1B C7B C6B . . . . -133.7(3) ?
    C4B Ru1B C7B C6B . . . . -68.1(2) ?
    C9B Ru1B C7B C6B . . . . -104.5(2) ?
    C6B C7B C8B C9B . . . . -1.9(5) ?
    Ru1B C7B C8B C9B . . . . -55.6(3) ?
    C6B C7B C8B Ru1B . . . . 53.7(3) ?
    O3B Ru1B C8B C7B . . . . 132.7(2) ?
    O1B Ru1B C8B C7B . . . . 52.2(2) ?
    C1B Ru1B C8B C7B . . . . -148.4(3) ?
    C5B Ru1B C8B C7B . . . . -65.9(2) ?
    C4B Ru1B C8B C7B . . . . -103.0(2) ?
    C6B Ru1B C8B C7B . . . . -28.5(2) ?
    C9B Ru1B C8B C7B . . . . -132.4(3) ?
    O3B Ru1B C8B C9B . . . . -94.9(2) ?
    O1B Ru1B C8B C9B . . . . -175.43(19) ?
    C1B Ru1B C8B C9B . . . . -16.0(4) ?
    C5B Ru1B C8B C9B . . . . 66.4(2) ?
    C7B Ru1B C8B C9B . . . . 132.4(3) ?
    C4B Ru1B C8B C9B . . . . 29.4(2) ?
    C6B Ru1B C8B C9B . . . . 103.9(2) ?
    C5B C4B C9B C8B . . . . 0.7(5) ?
    Ru1B C4B C9B C8B . . . . 53.1(3) ?
    C5B C4B C9B C10B . . . . 177.5(3) ?
    Ru1B C4B C9B C10B . . . . -130.1(3) ?
    C5B C4B C9B Ru1B . . . . -52.4(3) ?
    C7B C8B C9B C4B . . . . 1.6(5) ?
    Ru1B C8B C9B C4B . . . . -53.4(3) ?
    C7B C8B C9B C10B . . . . -175.2(3) ?
    Ru1B C8B C9B C10B . . . . 129.7(3) ?
    C7B C8B C9B Ru1B . . . . 55.1(3) ?
    O3B Ru1B C9B C4B . . . . -137.9(2) ?
    O1B Ru1B C9B C4B . . . . 139.6(2) ?
    C1B Ru1B C9B C4B . . . . -55.9(2) ?
    C5B Ru1B C9B C4B . . . . 28.6(2) ?
    C7B Ru1B C9B C4B . . . . 102.4(2) ?
    C8B Ru1B C9B C4B . . . . 131.0(3) ?
    C6B Ru1B C9B C4B . . . . 65.6(2) ?
    O3B Ru1B C9B C8B . . . . 91.1(2) ?
    O1B Ru1B C9B C8B . . . . 8.6(4) ?
    C1B Ru1B C9B C8B . . . . 173.03(19) ?
    C5B Ru1B C9B C8B . . . . -102.4(2) ?
    C7B Ru1B C9B C8B . . . . -28.7(2) ?
    C4B Ru1B C9B C8B . . . . -131.0(3) ?
    C6B Ru1B C9B C8B . . . . -65.4(2) ?
    O3B Ru1B C9B C10B . . . . -22.7(4) ?
    O1B Ru1B C9B C10B . . . . -105.2(4) ?
    C1B Ru1B C9B C10B . . . . 59.3(4) ?
    C5B Ru1B C9B C10B . . . . 143.8(4) ?
    C7B Ru1B C9B C10B . . . . -142.4(4) ?
    C8B Ru1B C9B C10B . . . . -113.8(4) ?
    C4B Ru1B C9B C10B . . . . 115.2(4) ?
    C6B Ru1B C9B C10B . . . . -179.2(4) ?
    C5B C6B C11B C12B . . . . 174.2(4) ?
    C7B C6B C11B C12B . . . . -3.6(5) ?
    Ru1B C6B C11B C12B . . . . -96.2(4) ?
    C5B C6B C11B C13B . . . . 54.3(5) ?
    C7B C6B C11B C13B . . . . -123.6(4) ?
    Ru1B C6B C11B C13B . . . . 143.8(4) ?
    C1B N1B C14B C19B . . . . -99.3(4) ?
    C2B N1B C14B C19B . . . . 92.9(4) ?
    C1B N1B C14B C15B . . . . 87.6(4) ?
    C2B N1B C14B C15B . . . . -80.3(4) ?
    C19B C14B C15B C16B . . . . 3.6(5) ?
    N1B C14B C15B C16B . . . . 176.6(3) ?
    C19B C14B C15B C20B . . . . -178.0(3) ?
    N1B C14B C15B C20B . . . . -4.9(5) ?
    C14B C15B C16B C17B . . . . -0.7(5) ?
    C20B C15B C16B C17B . . . . -179.2(3) ?
    C15B C16B C17B C18B . . . . -2.2(5) ?
    C15B C16B C17B C21B . . . . 179.0(3) ?
    C16B C17B C18B C19B . . . . 2.4(6) ?
    C21B C17B C18B C19B . . . . -178.8(4) ?
    C17B C18B C19B C14B . . . . 0.3(5) ?
    C17B C18B C19B C22B . . . . -179.4(3) ?
    C15B C14B C19B C18B . . . . -3.4(5) ?
    N1B C14B C19B C18B . . . . -176.3(3) ?
    C15B C14B C19B C22B . . . . 176.3(3) ?
    N1B C14B C19B C22B . . . . 3.4(5) ?
    C1B N2B C23B C24B . . . . -71.3(4) ?
    C3B N2B C23B C24B . . . . 98.7(4) ?
    C1B N2B C23B C28B . . . . 114.9(4) ?
    C3B N2B C23B C28B . . . . -75.0(4) ?
    C28B C23B C24B C25B . . . . -2.1(5) ?
    N2B C23B C24B C25B . . . . -175.6(3) ?
    C28B C23B C24B C29B . . . . 175.9(3) ?
    N2B C23B C24B C29B . . . . 2.4(5) ?
    C23B C24B C25B C26B . . . . 1.8(5) ?
    C29B C24B C25B C26B . . . . -176.2(4) ?
    C24B C25B C26B C27B . . . . 0.3(5) ?
    C24B C25B C26B C30B . . . . 178.5(4) ?
    C25B C26B C27B C28B . . . . -2.2(5) ?
    C30B C26B C27B C28B . . . . 179.6(3) ?
    C26B C27B C28B C23B . . . . 1.9(5) ?
    C26B C27B C28B C31B . . . . -176.5(3) ?
    C24B C23B C28B C27B . . . . 0.3(5) ?
    N2B C23B C28B C27B . . . . 173.8(3) ?
    C24B C23B C28B C31B . . . . 178.7(3) ?
    N2B C23B C28B C31B . . . . -7.8(5) ?
    Ru1B O1B C32B O2B . . . . -6.0(5) ?
    Ru1B O1B C32B C33B . . . . 174.4(2) ?
    O2B C32B C33B C34B . . . . 63.6(5) ?
    O1B C32B C33B C34B . . . . -116.8(4) ?
    O2B C32B C33B C38B . . . . -112.8(4) ?
    O1B C32B C33B C38B . . . . 66.9(4) ?
    C38B C33B C34B F1B . . . . 179.0(3) ?
    C32B C33B C34B F1B . . . . 2.5(5) ?
    C38B C33B C34B C35B . . . . -0.7(5) ?
    C32B C33B C34B C35B . . . . -177.2(3) ?
    F1B C34B C35B F2B . . . . 0.8(5) ?
    C33B C34B C35B F2B . . . . -179.5(3) ?
    F1B C34B C35B C36B . . . . -178.9(3) ?
    C33B C34B C35B C36B . . . . 0.8(5) ?
    F2B C35B C36B F3B . . . . 0.6(5) ?
    C34B C35B C36B F3B . . . . -179.7(3) ?
    F2B C35B C36B C37B . . . . -179.0(4) ?
    C34B C35B C36B C37B . . . . 0.7(6) ?
    F3B C36B C37B F4B . . . . -1.9(6) ?
    C35B C36B C37B F4B . . . . 177.8(4) ?
    F3B C36B C37B C38B . . . . 178.2(3) ?
    C35B C36B C37B C38B . . . . -2.2(6) ?
    F4B C37B C38B F5B . . . . 1.3(6) ?
    C36B C37B C38B F5B . . . . -178.7(3) ?
    F4B C37B C38B C33B . . . . -177.7(3) ?
    C36B C37B C38B C33B . . . . 2.3(6) ?
    C34B C33B C38B F5B . . . . -179.8(3) ?
    C32B C33B C38B F5B . . . . -3.3(5) ?
    C34B C33B C38B C37B . . . . -0.8(5) ?
    C32B C33B C38B C37B . . . . 175.7(3) ?
    Ru1B O3B C39B O4B . . . . 17.8(5) ?
    Ru1B O3B C39B C40B . . . . -163.2(2) ?
    O4B C39B C40B C45B . . . . -32.1(5) ?
    O3B C39B C40B C45B . . . . 148.8(3) ?
    O4B C39B C40B C41B . . . . 146.9(3) ?
    O3B C39B C40B C41B . . . . -32.2(5) ?
    C45B C40B C41B F6B . . . . 178.0(3) ?
    C39B C40B C41B F6B . . . . -1.1(5) ?
    C45B C40B C41B C42B . . . . -1.0(5) ?
    C39B C40B C41B C42B . . . . 180.0(3) ?
    F6B C41B C42B F7B . . . . 1.6(5) ?
    C40B C41B C42B F7B . . . . -179.4(3) ?
    F6B C41B C42B C43B . . . . -177.3(3) ?
    C40B C41B C42B C43B . . . . 1.7(5) ?
    F7B C42B C43B F8B . . . . 0.1(5) ?
    C41B C42B C43B F8B . . . . 179.0(3) ?
    F7B C42B C43B C44B . . . . -179.6(3) ?
    C41B C42B C43B C44B . . . . -0.6(5) ?
    F8B C43B C44B F9B . . . . -1.0(6) ?
    C42B C43B C44B F9B . . . . 178.6(3) ?
    F8B C43B C44B C45B . . . . 179.3(3) ?
    C42B C43B C44B C45B . . . . -1.0(6) ?
    F9B C44B C45B F10B . . . . 2.0(5) ?
    C43B C44B C45B F10B . . . . -178.4(3) ?
    F9B C44B C45B C40B . . . . -177.9(3) ?
    C43B C44B C45B C40B . . . . 1.7(6) ?
    C41B C40B C45B F10B . . . . 179.4(3) ?
    C39B C40B C45B F10B . . . . -1.6(5) ?
    C41B C40B C45B C44B . . . . -0.8(5) ?
    C39B C40B C45B C44B . . . . 178.3(3) ?
data_global
_journal_date_recd_electronic     2012-11-12
_journal_date_accepted     2012-12-03
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2013
_journal_volume     69
_journal_issue      1
_journal_page_first     m28
_journal_page_last     m28
_journal_paper_category     QM
_journal_paper_doi     10.1107/S1600536812049513
_journal_coeditor_code     IM2412
_publ_contact_author_name     'Professor Dr. M. R. Buchmeiser'
_publ_contact_author_address
;
Institut für Polymerchemie
Universität Stuttgart
Pfaffenwaldring 55
D-70569, Stuttgart
Germany
;
_publ_contact_author_email     'michael.buchmeiser@ipoc.uni-stuttgart.de'
_publ_contact_author_fax     '+49(0)711 68564046'
_publ_contact_author_phone     '+49(0)711 68564050'
_publ_section_title
;\
(η⁶-p-Cymene)(1,3-dimesityl-2,3-dihydro-1H-imidazol-2-ylidene)\
bis(pentafluorobenzoato-κO)ruthenium(II) dichloromethane disolvate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Dorst, Konstantin' .
;
Institut für Polymerchemie,
Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany
;
    'Frey, Wolfgang' .
;
Institut für Organische Chemie,
Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany
;
    'Wang, Dongren' .
;
Institut für Polymerchemie,
Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany
;
    'Buchmeiser, Michael' .
;
Institut für Polymerchemie,
Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany
;
