##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# 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 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. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2001-04-17
_journal_date_accepted     2001-04-26
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2001
_journal_volume     57
_journal_issue      5
_journal_page_first     m207
_journal_page_last     m208
_journal_paper_category     EM
_publ_contact_author_name     'Mrs Suchada Chantrapromma'
_publ_contact_author_address
;
      Department of Chemistry
      Faculty of Science
      Prince of Songkla University
      Hat-Yai, Songkhla 90112
      Thailand
;
_publ_contact_author_email     suchada@ratree.psu.ac.th
_publ_contact_author_fax     '66 074 212918'
_publ_contact_author_phone     '66 074 212918'
_publ_section_title
;
Trans-dichlorobis(3,5-dimethylpyrazole-N)bis(triphenylphosphine-P)-
ruthenium(II)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Suchada Chantrapromma' ?
;     Department of Chemistry
      Faculty of Science
      Prince of Songkla University
      Hat-Yai, Songkhla 90112
      Thailand
;
    'Hoong-Kun Fun' ?
;     X-ray Crystallography Unit
      School of Physics
      Universiti Sains Malaysia
      11800 USM, Penang
      Malaysia
;
    'Ibrahim Abdul Razak' ?
;     X-ray Crystallography Unit
      School of Physics
      Universiti Sains Malaysia
      11800 USM, Penang
      Malaysia
;
    'Qian-Feng Zhang' ?
;     Coordination Chemistry Institute and Department of Chemistry
      Nanjing University
      Nanjing 210093
      People's Republic of China
;
    'Xinquan Xin' ?
;     Coordination Chemistry Institute and Department of Chemistry
      Nanjing University
      Nanjing 210093
      People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Trans-dichlorobis(3,5-dimethylpyrazole-N)bis(triphenylphosphine-P)-
ruthenium(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     '[Ru Cl2 (C5 H7 N2)2 (C18 H15 P1)2]'
_chemical_formula_sum     'C46 H44 Cl2 N4 P2 Ru'
_chemical_formula_iupac     '[Ru Cl2 (C5 H7 N2)2 (C18 H15 P1)2]'
_chemical_formula_weight     886.76
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     11.6466(2)
_cell_length_b     17.1438(3)
_cell_length_c     10.5361(2)
_cell_angle_alpha     90.00
_cell_angle_beta     95.6030(10)
_cell_angle_gamma     90.00
_cell_volume     2093.66(6)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     8192
_cell_measurement_theta_min     2.96
_cell_measurement_theta_max     28.35
_cell_measurement_temperature     293(2)
_exptl_crystal_description     slab
_exptl_crystal_colour     red
_exptl_crystal_size_max      .28
_exptl_crystal_size_mid      .26
_exptl_crystal_size_min      .20
_exptl_crystal_density_diffrn     1.407
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     912
_exptl_absorpt_coefficient_mu      .616
_exptl_absorpt_correction_type     empirical
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min      .846
_exptl_absorpt_correction_T_max      .887
_exptl_special_details
;
The data collection covered over a hemisphere of reciprocal space by a
combination of three sets of exposures; each set had a different φ angle
(0,88 and 180°) for the crystal and each exposure of 30s covered
0.3° in ω. The crystal-to-detector distance was 4.023 cm and the detector
swing angle was -35°. Coverage of the unit set is 99.3% complete.
Crystal decay was monitored by SAINT (Siemens, 1996) and was found to be
negligible.
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength      .71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Siemens SMART CCD area-detector'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     8.33
_diffrn_reflns_number     14880
_diffrn_reflns_av_R_equivalents      .052
_diffrn_reflns_av_sigmaI/netI      .057
_diffrn_reflns_theta_min     2.96
_diffrn_reflns_theta_max     28.31
_diffrn_reflns_theta_full     28.31
_diffrn_measured_fraction_theta_max      .993
_diffrn_measured_fraction_theta_full      .993
_diffrn_reflns_limit_h_min     -15
_diffrn_reflns_limit_h_max     15
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     22
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_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 > 2sigma(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     5169
_reflns_number_gt     3919
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all      .055
_refine_ls_R_factor_gt      .039
_refine_ls_wR_factor_ref      .109
_refine_ls_goodness_of_fit_ref      .99
_refine_ls_restrained_S_all      .99
_refine_ls_number_reflns     5169
_refine_ls_number_parameters     252
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
             'calc w = 1/[σ²(Fo²)+(0.0562P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_shift/su_max      .023
_refine_ls_shift/su_mean     <0.001
_refine_diff_density_max     1.06
_refine_diff_density_min      -.91
_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'  .0033  .0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H'  .0000  .0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N'  .0061  .0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'P' 'P'  .1023  .0942
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl'  .1484  .1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ru' 'Ru' -1.2594  .8363
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Siemens, 1996)'
_computing_cell_refinement     'SAINT (Siemens, 1996)'
_computing_data_reduction     SAINT
_computing_structure_solution     'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement     SHELXTL
_computing_molecular_graphics     SHELXTL
_computing_publication_material     'SHELXTL and PLATON (Spek, 1990)'
loop_
    _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_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Ru  .0000  .0000  .0000  .02737(9) Uani d S 1 . . Ru
    P1  -.20732(5)  -.00331(3)  -.00383(6)  .03104(14) Uani d . 1 . . P
    Cl1  -.01654(5)  .09999(3)  .16324(6)  .03953(15) Uani d . 1 . . Cl
    N1  -.07666(19)  .05116(12)  -.2650(2)  .0427(5) Uani d . 1 . . N
    C19  -.0920(3)  .10581(17)  -.3573(3)  .0519(7) Uani d . 1 . . C
    C1  -.2941(2)  -.03471(15)  -.1511(2)  .0350(5) Uani d . 1 . . C
    C2  -.2664(2)  -.10480(15)  -.2081(3)  .0435(6) Uani d . 1 . . C
    H2A  -.2059  -.1350  -.1707  .052 Uiso calc R 1 . . H
    C3  -.3278(3)  -.12985(17)  -.3195(3)  .0519(7) Uani d . 1 . . C
    H3A  -.3076  -.1763  -.3571  .062 Uiso calc R 1 . . H
    C4  -.4187(3)  -.0865(2)  -.3752(3)  .0592(8) Uani d . 1 . . C
    H4A  -.4601  -.1034  -.4501  .071 Uiso calc R 1 . . H
    C5  -.4477(3)  -.0178(2)  -.3187(3)  .0605(8) Uani d . 1 . . C
    H5A  -.5096  .0113  -.3553  .073 Uiso calc R 1 . . H
    C6  -.3859(3)  .00859(16)  -.2082(3)  .0484(7) Uani d . 1 . . C
    H6A  -.4060  .0555  -.1719  .058 Uiso calc R 1 . . H
    C7  -.2743(2)  .09162(13)  .0258(2)  .0364(5) Uani d . 1 . . C
    C8  -.3396(2)  .10426(17)  .1270(3)  .0493(7) Uani d . 1 . . C
    H8A  -.3532  .0634  .1817  .059 Uiso calc R 1 . . H
    C9  -.3851(3)  .17792(19)  .1472(3)  .0646(9) Uani d . 1 . . C
    H9A  -.4298  .1855  .2147  .077 Uiso calc R 1 . . H
    C10  -.3652(3)  .23867(19)  .0702(4)  .0657(9) Uani d . 1 . . C
    H10A  -.3943  .2879  .0862  .079 Uiso calc R 1 . . H
    C11  -.3017(3)  .22717(17)  -.0322(4)  .0620(9) Uani d . 1 . . C
    H11A  -.2887  .2686  -.0859  .074 Uiso calc R 1 . . H
    C12  -.2572(2)  .15387(16)  -.0551(3)  .0505(7) Uani d . 1 . . C
    H12A  -.2156  .1463  -.1251  .061 Uiso calc R 1 . . H
    C13  -.2652(2)  -.06559(14)  .1170(2)  .0350(5) Uani d . 1 . . C
    C14  -.2154(2)  -.06151(16)  .2422(2)  .0434(6) Uani d . 1 . . C
    H14A  -.1564  -.0260  .2638  .052 Uiso calc R 1 . . H
    C15  -.2528(3)  -.10993(18)  .3349(3)  .0533(7) Uani d . 1 . . C
    H15A  -.2180  -.1070  .4181  .064 Uiso calc R 1 . . H
    C16  -.3409(3)  -.16228(17)  .3055(3)  .0550(7) Uani d . 1 . . C
    H16A  -.3646  -.1954  .3678  .066 Uiso calc R 1 . . H
    C17  -.3936(3)  -.16511(16)  .1834(3)  .0523(7) Uani d . 1 . . C
    H17A  -.4549  -.1992  .1638  .063 Uiso calc R 1 . . H
    C18  -.3564(2)  -.11769(15)  .0887(3)  .0424(6) Uani d . 1 . . C
    H18A  -.3923  -.1206  .0061  .051 Uiso calc R 1 . . H
    N2  -.02174(17)  .08097(11)  -.15353(19)  .0342(4) Uani d . 1 . . N
    C20  -.0485(3)  .17434(16)  -.3037(3)  .0527(7) Uani d . 1 . . C
    H20A  -.0486  .2229  -.3430  .063 Uiso calc R 1 . . H
    C21  -.0041(2)  .15665(15)  -.1792(3)  .0415(6) Uani d . 1 . . C
    C22  -.1463(4)  .0838(2)  -.4866(3)  .0850(12) Uani d . 1 . . C
    H22A  -.1217  .0323  -.5076  .128 Uiso calc R 1 . . H
    H22B  -.1232  .1203  -.5484  .128 Uiso calc R 1 . . H
    H22C  -.2287  .0846  -.4869  .128 Uiso calc R 1 . . H
    C23  .0550(3)  .21223(15)  -.0869(3)  .0556(7) Uani d . 1 . . C
    H23A  .0562  .2630  -.1251  .083 Uiso calc R 1 . . H
    H23B  .1326  .1950  -.0640  .083 Uiso calc R 1 . . H
    H23C  .0144  .2147  -.0120  .083 Uiso calc R 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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
    Ru N2 . 2.1278(19) yes
    Ru N2 3 2.1278(19) ?
    Ru P1 . 2.4116(6) yes
    Ru P1 3 2.4116(6) ?
    Ru Cl1 3 2.4491(6) ?
    Ru Cl1 . 2.4491(6) yes
    P1 C13 . 1.839(2) yes
    P1 C7 . 1.845(2) ?
    P1 C1 . 1.847(2) ?
    N1 C19 . 1.349(3) ?
    N1 N2 . 1.380(3) ?
    C19 C20 . 1.379(4) ?
    C19 C22 . 1.493(4) ?
    C1 C6 . 1.389(4) ?
    C1 C2 . 1.395(3) ?
    C2 C3 . 1.382(4) ?
    C2 H2A .  .9300 ?
    C3 C4 . 1.378(4) ?
    C3 H3A .  .9300 ?
    C4 C5 . 1.376(4) ?
    C4 H4A .  .9300 ?
    C5 C6 . 1.383(4) ?
    C5 H5A .  .9300 ?
    C6 H6A .  .9300 ?
    C7 C8 . 1.386(4) ?
    C7 C12 . 1.393(4) ?
    C8 C9 . 1.394(4) ?
    C8 H8A .  .9300 ?
    C9 C10 . 1.354(5) ?
    C9 H9A .  .9300 ?
    C10 C11 . 1.380(5) ?
    C10 H10A .  .9300 ?
    C11 C12 . 1.390(4) ?
    C11 H11A .  .9300 ?
    C12 H12A .  .9300 ?
    C13 C14 . 1.390(3) ?
    C13 C18 . 1.397(3) ?
    C14 C15 . 1.385(4) ?
    C14 H14A .  .9300 ?
    C15 C16 . 1.376(4) ?
    C15 H15A .  .9300 ?
    C16 C17 . 1.370(4) ?
    C16 H16A .  .9300 ?
    C17 C18 . 1.389(4) ?
    C17 H17A .  .9300 ?
    C18 H18A .  .9300 ?
    N2 C21 . 1.345(3) ?
    C20 C21 . 1.395(4) ?
    C20 H20A .  .9300 ?
    C21 C23 . 1.482(4) ?
    C22 H22A .  .9600 ?
    C22 H22B .  .9600 ?
    C22 H22C .  .9600 ?
    C23 H23A .  .9600 ?
    C23 H23B .  .9600 ?
    C23 H23C .  .9600 ?
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
    N2 Ru N2 . 3 180.00(10) yes
    N2 Ru P1 . . 87.59(6) yes
    N2 Ru P1 3 . 92.41(6) ?
    N2 Ru P1 . 3 92.41(6) yes
    N2 Ru P1 3 3 87.59(6) ?
    P1 Ru P1 . 3 180.0 yes
    N2 Ru Cl1 . 3 86.24(6) yes
    N2 Ru Cl1 3 3 93.76(6) ?
    P1 Ru Cl1 . 3 96.84(2) yes
    P1 Ru Cl1 3 3 83.16(2) ?
    N2 Ru Cl1 . . 93.76(6) yes
    N2 Ru Cl1 3 . 86.24(6) ?
    P1 Ru Cl1 . . 83.16(2) yes
    P1 Ru Cl1 3 . 96.84(2) ?
    Cl1 Ru Cl1 3 . 180.00(4) yes
    C13 P1 C7 . . 101.84(11) ?
    C13 P1 C1 . . 101.81(11) ?
    C7 P1 C1 . . 101.17(11) ?
    C13 P1 Ru . . 115.87(8) ?
    C7 P1 Ru . . 114.56(8) ?
    C1 P1 Ru . . 119.06(8) ?
    C19 N1 N2 . . 112.0(2) ?
    N1 C19 C20 . . 106.2(2) ?
    N1 C19 C22 . . 119.8(3) ?
    C20 C19 C22 . . 134.0(3) ?
    C6 C1 C2 . . 118.3(2) ?
    C6 C1 P1 . . 122.9(2) ?
    C2 C1 P1 . . 118.79(19) ?
    C3 C2 C1 . . 120.7(3) ?
    C3 C2 H2A . . 119.6 ?
    C1 C2 H2A . . 119.6 ?
    C4 C3 C2 . . 120.5(3) ?
    C4 C3 H3A . . 119.8 ?
    C2 C3 H3A . . 119.8 ?
    C5 C4 C3 . . 119.2(3) ?
    C5 C4 H4A . . 120.4 ?
    C3 C4 H4A . . 120.4 ?
    C4 C5 C6 . . 121.0(3) ?
    C4 C5 H5A . . 119.5 ?
    C6 C5 H5A . . 119.5 ?
    C5 C6 C1 . . 120.3(3) ?
    C5 C6 H6A . . 119.9 ?
    C1 C6 H6A . . 119.9 ?
    C8 C7 C12 . . 118.3(2) ?
    C8 C7 P1 . . 122.8(2) ?
    C12 C7 P1 . . 119.0(2) ?
    C7 C8 C9 . . 120.3(3) ?
    C7 C8 H8A . . 119.8 ?
    C9 C8 H8A . . 119.8 ?
    C10 C9 C8 . . 121.0(3) ?
    C10 C9 H9A . . 119.5 ?
    C8 C9 H9A . . 119.5 ?
    C9 C10 C11 . . 119.6(3) ?
    C9 C10 H10A . . 120.2 ?
    C11 C10 H10A . . 120.2 ?
    C10 C11 C12 . . 120.2(3) ?
    C10 C11 H11A . . 119.9 ?
    C12 C11 H11A . . 119.9 ?
    C11 C12 C7 . . 120.5(3) ?
    C11 C12 H12A . . 119.7 ?
    C7 C12 H12A . . 119.7 ?
    C14 C13 C18 . . 118.2(2) ?
    C14 C13 P1 . . 118.70(19) ?
    C18 C13 P1 . . 123.1(2) ?
    C15 C14 C13 . . 120.6(2) ?
    C15 C14 H14A . . 119.7 ?
    C13 C14 H14A . . 119.7 ?
    C16 C15 C14 . . 120.7(3) ?
    C16 C15 H15A . . 119.6 ?
    C14 C15 H15A . . 119.6 ?
    C17 C16 C15 . . 119.4(3) ?
    C17 C16 H16A . . 120.3 ?
    C15 C16 H16A . . 120.3 ?
    C16 C17 C18 . . 120.7(3) ?
    C16 C17 H17A . . 119.6 ?
    C18 C17 H17A . . 119.6 ?
    C17 C18 C13 . . 120.4(3) ?
    C17 C18 H18A . . 119.8 ?
    C13 C18 H18A . . 119.8 ?
    C21 N2 N1 . . 104.65(19) ?
    C21 N2 Ru . . 140.62(18) ?
    N1 N2 Ru . . 114.62(14) ?
    C19 C20 C21 . . 106.7(2) ?
    C19 C20 H20A . . 126.6 ?
    C21 C20 H20A . . 126.6 ?
    N2 C21 C20 . . 110.4(2) ?
    N2 C21 C23 . . 123.9(2) ?
    C20 C21 C23 . . 125.6(2) ?
    C19 C22 H22A . . 109.5 ?
    C19 C22 H22B . . 109.5 ?
    H22A C22 H22B . . 109.5 ?
    C19 C22 H22C . . 109.5 ?
    H22A C22 H22C . . 109.5 ?
    H22B C22 H22C . . 109.5 ?
    C21 C23 H23A . . 109.5 ?
    C21 C23 H23B . . 109.5 ?
    H23A C23 H23B . . 109.5 ?
    C21 C23 H23C . . 109.5 ?
    H23A C23 H23C . . 109.5 ?
    H23B C23 H23C . . 109.5 ?
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
    N2 Ru P1 C13 . . . . -178.48(10) ?
    N2 Ru P1 C13 3 . . . 1.52(10) ?
    Cl1 Ru P1 C13 3 . . . 95.60(9) ?
    Cl1 Ru P1 C13 . . . . -84.40(9) ?
    N2 Ru P1 C7 . . . . -60.30(11) ?
    N2 Ru P1 C7 3 . . . 119.70(11) ?
    Cl1 Ru P1 C7 3 . . . -146.22(9) ?
    Cl1 Ru P1 C7 . . . . 33.78(9) ?
    N2 Ru P1 C1 . . . . 59.53(11) ?
    N2 Ru P1 C1 3 . . . -120.47(11) ?
    Cl1 Ru P1 C1 3 . . . -26.39(9) ?
    Cl1 Ru P1 C1 . . . . 153.61(9) ?
    N2 N1 C19 C20 . . . . -1.6(3) ?
    N2 N1 C19 C22 . . . . 177.8(3) ?
    C13 P1 C1 C6 . . . . 102.6(2) ?
    C7 P1 C1 C6 . . . . -2.1(3) ?
    Ru P1 C1 C6 . . . . -128.6(2) ?
    C13 P1 C1 C2 . . . . -77.6(2) ?
    C7 P1 C1 C2 . . . . 177.7(2) ?
    Ru P1 C1 C2 . . . . 51.2(2) ?
    C6 C1 C2 C3 . . . .  .9(4) ?
    P1 C1 C2 C3 . . . . -178.9(2) ?
    C1 C2 C3 C4 . . . . -1.0(4) ?
    C2 C3 C4 C5 . . . .  .0(5) ?
    C3 C4 C5 C6 . . . .  .9(5) ?
    C4 C5 C6 C1 . . . .  -.9(5) ?
    C2 C1 C6 C5 . . . .  .0(4) ?
    P1 C1 C6 C5 . . . . 179.8(2) ?
    C13 P1 C7 C8 . . . . 5.9(2) ?
    C1 P1 C7 C8 . . . . 110.6(2) ?
    Ru P1 C7 C8 . . . . -120.0(2) ?
    C13 P1 C7 C12 . . . . -175.3(2) ?
    C1 P1 C7 C12 . . . . -70.6(2) ?
    Ru P1 C7 C12 . . . . 58.8(2) ?
    C12 C7 C8 C9 . . . .  -.9(4) ?
    P1 C7 C8 C9 . . . . 177.9(2) ?
    C7 C8 C9 C10 . . . . -1.0(5) ?
    C8 C9 C10 C11 . . . . 1.8(5) ?
    C9 C10 C11 C12 . . . .  -.8(5) ?
    C10 C11 C12 C7 . . . . -1.1(5) ?
    C8 C7 C12 C11 . . . . 1.9(4) ?
    P1 C7 C12 C11 . . . . -176.9(2) ?
    C7 P1 C13 C14 . . . . -79.3(2) ?
    C1 P1 C13 C14 . . . . 176.5(2) ?
    Ru P1 C13 C14 . . . . 45.7(2) ?
    C7 P1 C13 C18 . . . . 101.5(2) ?
    C1 P1 C13 C18 . . . . -2.8(2) ?
    Ru P1 C13 C18 . . . . -133.52(19) ?
    C18 C13 C14 C15 . . . . 2.2(4) ?
    P1 C13 C14 C15 . . . . -177.0(2) ?
    C13 C14 C15 C16 . . . .  -.9(4) ?
    C14 C15 C16 C17 . . . . -1.4(5) ?
    C15 C16 C17 C18 . . . . 2.2(5) ?
    C16 C17 C18 C13 . . . .  -.7(4) ?
    C14 C13 C18 C17 . . . . -1.5(4) ?
    P1 C13 C18 C17 . . . . 177.8(2) ?
    C19 N1 N2 C21 . . . .  .5(3) ?
    C19 N1 N2 Ru . . . . 177.57(18) ?
    P1 Ru N2 C21 . . . . 110.7(3) ?
    P1 Ru N2 C21 3 . . . -69.3(3) ?
    Cl1 Ru N2 C21 3 . . . -152.3(3) ?
    Cl1 Ru N2 C21 . . . . 27.7(3) ?
    P1 Ru N2 N1 . . . . -64.88(16) ?
    P1 Ru N2 N1 3 . . . 115.12(16) ?
    Cl1 Ru N2 N1 3 . . . 32.14(16) ?
    Cl1 Ru N2 N1 . . . . -147.86(16) ?
    N1 C19 C20 C21 . . . . 1.9(3) ?
    C22 C19 C20 C21 . . . . -177.2(4) ?
    N1 N2 C21 C20 . . . .  .8(3) ?
    Ru N2 C21 C20 . . . . -175.0(2) ?
    N1 N2 C21 C23 . . . . -178.8(3) ?
    Ru N2 C21 C23 . . . . 5.3(4) ?
    C19 C20 C21 N2 . . . . -1.7(3) ?
    C19 C20 C21 C23 . . . . 177.9(3) ?
