##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section C. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section C, 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-2014/7'
_journal_date_recd_electronic     2015-02-13
_journal_date_accepted     2015-03-24
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2015
_journal_volume     71
_journal_issue      5
_journal_page_first     351
_journal_page_last     356
_journal_paper_category     FA
_journal_paper_doi     10.1107/S2053229615006026
_journal_coeditor_code     EG3179
_database_code_depnum_ccdc_archive     'CCDC 1055916'
_chemical_name_systematic
;
trans-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ²2N,N')chromium(III)
perchlorate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C10 H28 N4 Br2 Cr, Cl O4'
_chemical_formula_sum     'C10 H28 Br2 Cl Cr N4 O4'
_chemical_formula_iupac     '[Cr Br2 (C5 H14 N2)2] Cl O4'
_chemical_formula_weight     515.63
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     orthorhombic
_space_group_name_H-M_alt     'P b c a'
_space_group_name_Hall     '-P 2ac 2ab'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    '-x, y+1/2, -z+1/2'
    'x+1/2, -y+1/2, -z'
    '-x, -y, -z'
    'x-1/2, y, -z-1/2'
    'x, -y-1/2, z-1/2'
    '-x-1/2, y-1/2, z'
_cell_length_a     20.656(4)
_cell_length_b     17.666(4)
_cell_length_c     31.305(6)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     11423(4)
_cell_formula_units_Z     24
_cell_measurement_reflns_used     352345
_cell_measurement_theta_min     0.361
_cell_measurement_theta_max     33.547
_cell_measurement_temperature     100(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     green
_exptl_crystal_size_max     0.121
_exptl_crystal_size_mid     0.100
_exptl_crystal_size_min     0.050
_exptl_crystal_density_diffrn     1.799
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     6216
_exptl_absorpt_coefficient_mu     3.597
_exptl_absorpt_correction_type     empirical
_exptl_absorpt_process_details
                               '(HKL3000sm SCALEPACK; Otwinowski & Minor, 1997)'
_shelx_estimated_absorpt_T_min     0.670
_shelx_estimated_absorpt_T_max     0.841
_exptl_absorpt_correction_T_min     0.670
_exptl_absorpt_correction_T_max     0.841
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     synchrotron
_diffrn_radiation_wavelength     0.62998
_diffrn_measurement_device_type     'ADSC Q210 CCD area-detector'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     115348
_diffrn_reflns_av_R_equivalents     0.0359
_diffrn_reflns_theta_min     1.771
_diffrn_reflns_theta_max     25.999
_diffrn_reflns_theta_full     22.209
_diffrn_measured_fraction_theta_max     0.971
_diffrn_measured_fraction_theta_full     0.982
_diffrn_reflns_limit_h_min     -28
_diffrn_reflns_limit_h_max     28
_diffrn_reflns_limit_k_min     -23
_diffrn_reflns_limit_k_max     23
_diffrn_reflns_limit_l_min     -43
_diffrn_reflns_limit_l_max     43
_refine_special_details     ?
_reflns_number_total     15666
_reflns_number_gt     13691
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0362
_refine_ls_R_factor_gt     0.0308
_refine_ls_wR_factor_gt     0.0831
_refine_ls_wR_factor_ref     0.0860
_refine_ls_goodness_of_fit_ref     1.039
_refine_ls_restrained_S_all     1.041
_refine_ls_number_reflns     15666
_refine_ls_number_parameters     636
_refine_ls_number_restraints     6
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
            'w = 1/[σ²(Fo²)+(0.0577P)²+5.7020P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.003
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.250
_refine_diff_density_min     -1.420
_refine_ls_extinction_method     'SHELXL2014/7 (Sheldrick, 2015)'
_refine_ls_extinction_coef     0.00083(5)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0020 0.0010
                         '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' 0.0050 0.0020
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0090 0.0050
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1230 0.1260
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cr' 'Cr' 0.2900 0.4910
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Br' 'Br' 0.0290 2.0200
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
                              'PAL ADSC Quantum-210 ADX (Arvai & Nielsen, 1983)'
_computing_cell_refinement     'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_reduction     'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_structure_solution     'SHELXS2013 (Sheldrick, 2015)'
_computing_structure_refinement     'SHELXL2014/7 (Sheldrick, 2015)'
_computing_molecular_graphics     'DIAMOND (Brandenburg, 2014)'
_computing_publication_material
                               'publCIF (Westrip, 2010) and PLATON (Spek, 2009)'
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_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Cr Cr1A 0.73021(2) 0.60628(2) 0.61679(2) 0.01368(7) Uani d 1 . .
    Br Br1A 0.69990(2) 0.61566(2) 0.69298(2) 0.02048(5) Uani d 1 . .
    Br Br2A 0.76227(2) 0.60157(2) 0.54027(2) 0.02102(5) Uani d 1 . .
    N N1A 0.76335(9) 0.71878(10) 0.61996(5) 0.0179(3) Uani d 1 . .
    H H1A1 0.7377 0.7468 0.6024 0.022 Uiso calc 1 . .
    H H1A2 0.7561 0.7354 0.6470 0.022 Uiso calc 1 . .
    N N2A 0.82196(9) 0.56954(11) 0.63681(6) 0.0235(4) Uani d 1 . .
    H H2A1 0.8222 0.5710 0.6659 0.028 Uiso calc 1 . .
    H H2A2 0.8257 0.5200 0.6292 0.028 Uiso calc 1 . .
    N N3A 0.63830(8) 0.64035(9) 0.59742(5) 0.0171(3) Uani d 1 . .
    H H3A1 0.6349 0.6907 0.6031 0.021 Uiso calc 1 . .
    H H3A2 0.6365 0.6351 0.5685 0.021 Uiso calc 1 . .
    N N4A 0.69737(8) 0.49462(9) 0.61381(5) 0.0164(3) Uani d 1 . .
    H H4A1 0.7004 0.4795 0.5861 0.020 Uiso calc 1 . .
    H H4A2 0.7257 0.4658 0.6290 0.020 Uiso calc 1 . .
    C C1A 0.83200(11) 0.73755(13) 0.60917(7) 0.0242(4) Uani d 1 . .
    H H1A3 0.8391 0.7920 0.6150 0.029 Uiso calc 1 . .
    H H1A4 0.8382 0.7296 0.5781 0.029 Uiso calc 1 . .
    C C2A 0.88357(11) 0.69270(13) 0.63286(7) 0.0226(4) Uani d 1 . .
    C C3A 0.88151(11) 0.60849(14) 0.62206(8) 0.0259(5) Uani d 1 . .
    H H3A3 0.8851 0.6025 0.5907 0.031 Uiso calc 1 . .
    H H3A4 0.9195 0.5835 0.6352 0.031 Uiso calc 1 . .
    C C4A 0.88047(14) 0.70619(16) 0.68088(8) 0.0351(6) Uani d 1 . .
    H H4A3 0.8383 0.6898 0.6917 0.053 Uiso calc 1 . .
    H H4A4 0.8863 0.7602 0.6868 0.053 Uiso calc 1 . .
    H H4A5 0.9148 0.6773 0.6950 0.053 Uiso calc 1 . .
    C C5A 0.94937(13) 0.72192(17) 0.61612(9) 0.0384(6) Uani d 1 . .
    H H5A1 0.9527 0.7765 0.6214 0.058 Uiso calc 1 . .
    H H5A2 0.9526 0.7121 0.5854 0.058 Uiso calc 1 . .
    H H5A3 0.9846 0.6957 0.6310 0.058 Uiso calc 1 . .
    C C6A 0.57964(10) 0.60288(11) 0.61545(7) 0.0184(4) Uani d 1 . .
    H H6A1 0.5407 0.6274 0.6033 0.022 Uiso calc 1 . .
    H H6A2 0.5789 0.6112 0.6467 0.022 Uiso calc 1 . .
    C C7A 0.57586(10) 0.51758(11) 0.60673(6) 0.0163(3) Uani d 1 . .
    C C8A 0.63097(10) 0.47504(11) 0.62882(6) 0.0172(4) Uani d 1 . .
    H H8A1 0.6284 0.4851 0.6599 0.021 Uiso calc 1 . .
    H H8A2 0.6242 0.4201 0.6246 0.021 Uiso calc 1 . .
    C C9A 0.51254(10) 0.48940(13) 0.62657(7) 0.0225(4) Uani d 1 . .
    H H9A1 0.5116 0.5026 0.6570 0.034 Uiso calc 1 . .
    H H9A2 0.5097 0.4343 0.6234 0.034 Uiso calc 1 . .
    H H9A3 0.4758 0.5133 0.6120 0.034 Uiso calc 1 . .
    C C10A 0.57512(11) 0.50025(12) 0.55865(6) 0.0215(4) Uani d 1 . .
    H H10A 0.5388 0.5268 0.5452 0.032 Uiso calc 1 . .
    H H10B 0.5703 0.4456 0.5543 0.032 Uiso calc 1 . .
    H H10C 0.6158 0.5173 0.5458 0.032 Uiso calc 1 . .
    Cr Cr2B 0.74038(2) 0.35435(2) 0.45410(2) 0.01221(6) Uani d 1 . .
    Br Br1B 0.71078(2) 0.36587(2) 0.53011(2) 0.01848(5) Uani d 1 . .
    Br Br2B 0.77134(2) 0.34418(2) 0.37785(2) 0.01968(5) Uani d 1 . .
    N N1B 0.77384(8) 0.46610(10) 0.45463(5) 0.0171(3) Uani d 1 . .
    H H1B1 0.7475 0.4935 0.4372 0.021 Uiso calc 1 . .
    H H1B2 0.7683 0.4844 0.4816 0.021 Uiso calc 1 . .
    N N2B 0.83098(8) 0.31690(10) 0.47411(6) 0.0183(3) Uani d 1 . .
    H H2B1 0.8318 0.3203 0.5031 0.022 Uiso calc 1 . .
    H H2B2 0.8337 0.2668 0.4675 0.022 Uiso calc 1 . .
    N N3B 0.64815(8) 0.39030(10) 0.43512(6) 0.0177(3) Uani d 1 . .
    H H3B1 0.6448 0.4404 0.4416 0.021 Uiso calc 1 . .
    H H3B2 0.6462 0.3863 0.4062 0.021 Uiso calc 1 . .
    N N4B 0.70788(8) 0.24197(9) 0.45332(5) 0.0161(3) Uani d 1 . .
    H H4B1 0.7123 0.2246 0.4261 0.019 Uiso calc 1 . .
    H H4B2 0.7354 0.2145 0.4699 0.019 Uiso calc 1 . .
    C C1B 0.84187(10) 0.48221(12) 0.44183(6) 0.0200(4) Uani d 1 . .
    H H1B3 0.8500 0.5371 0.4455 0.024 Uiso calc 1 . .
    H H1B4 0.8467 0.4705 0.4111 0.024 Uiso calc 1 . .
    C C2B 0.89352(10) 0.43872(12) 0.46642(6) 0.0190(4) Uani d 1 . .
    C C3B 0.89071(10) 0.35377(13) 0.45785(7) 0.0215(4) Uani d 1 . .
    H H3B3 0.8937 0.3452 0.4267 0.026 Uiso calc 1 . .
    H H3B4 0.9287 0.3294 0.4713 0.026 Uiso calc 1 . .
    C C4B 0.88902(10) 0.45569(13) 0.51443(6) 0.0222(4) Uani d 1 . .
    H H4B3 0.8943 0.5102 0.5192 0.033 Uiso calc 1 . .
    H H4B4 0.9233 0.4282 0.5296 0.033 Uiso calc 1 . .
    H H4B5 0.8467 0.4395 0.5252 0.033 Uiso calc 1 . .
    C C5B 0.95930(11) 0.46563(15) 0.44929(7) 0.0294(5) Uani d 1 . .
    H H5B1 0.9620 0.4549 0.4186 0.044 Uiso calc 1 . .
    H H5B2 0.9941 0.4389 0.4643 0.044 Uiso calc 1 . .
    H H5B3 0.9637 0.5202 0.4541 0.044 Uiso calc 1 . .
    C C6B 0.58999(10) 0.35189(12) 0.45285(7) 0.0193(4) Uani d 1 . .
    H H6B1 0.5509 0.3759 0.4406 0.023 Uiso calc 1 . .
    H H6B2 0.5889 0.3601 0.4841 0.023 Uiso calc 1 . .
    C C7B 0.58704(10) 0.26653(12) 0.44415(7) 0.0193(4) Uani d 1 . .
    C C8B 0.64089(10) 0.22375(12) 0.46736(7) 0.0188(4) Uani d 1 . .
    H H8B1 0.6374 0.2346 0.4983 0.023 Uiso calc 1 . .
    H H8B2 0.6337 0.1688 0.4634 0.023 Uiso calc 1 . .
    C C9B 0.52314(11) 0.23787(15) 0.46299(8) 0.0308(5) Uani d 1 . .
    H H9B1 0.5196 0.1832 0.4583 0.046 Uiso calc 1 . .
    H H9B2 0.4869 0.2636 0.4490 0.046 Uiso calc 1 . .
    H H9B3 0.5221 0.2485 0.4937 0.046 Uiso calc 1 . .
    C C10B 0.58856(11) 0.25022(14) 0.39600(7) 0.0270(5) Uani d 1 . .
    H H10D 0.6303 0.2663 0.3842 0.040 Uiso calc 1 . .
    H H10E 0.5536 0.2781 0.3819 0.040 Uiso calc 1 . .
    H H10F 0.5828 0.1958 0.3912 0.040 Uiso calc 1 . .
    Cr Cr3C 0.77123(2) 0.60947(2) 0.28850(2) 0.01335(7) Uani d 1 . .
    Br Br1C 0.77231(2) 0.60241(2) 0.36740(2) 0.02133(5) Uani d 1 . .
    Br Br2C 0.77070(2) 0.61867(2) 0.20966(2) 0.02258(5) Uani d 1 . .
    N N1C 0.80290(9) 0.49676(10) 0.28534(5) 0.0184(3) Uani d 1 . .
    H H1C1 0.7714 0.4678 0.2974 0.022 Uiso calc 1 . .
    H H1C2 0.8045 0.4840 0.2572 0.022 Uiso calc 1 . .
    N N2C 0.86765(9) 0.64642(10) 0.28850(6) 0.0218(4) Uani d 1 . .
    H H2C1 0.8793 0.6535 0.2608 0.026 Uiso calc 1 . .
    H H2C2 0.8683 0.6928 0.3012 0.026 Uiso calc 1 . .
    N N3C 0.73779(9) 0.72025(10) 0.29261(5) 0.0191(3) Uani d 1 . .
    H H3C1 0.7340 0.7315 0.3209 0.023 Uiso calc 1 . .
    H H3C2 0.7695 0.7507 0.2820 0.023 Uiso calc 1 . .
    N N4C 0.67622(9) 0.57112(11) 0.28831(6) 0.0224(4) Uani d 1 . .
    H H4C1 0.6764 0.5245 0.2759 0.027 Uiso calc 1 . .
    H H4C2 0.6645 0.5643 0.3161 0.027 Uiso calc 1 . .
    C C1C 0.86550(11) 0.47276(12) 0.30467(7) 0.0216(4) Uani d 1 . .
    H H1C3 0.8736 0.4193 0.2968 0.026 Uiso calc 1 . .
    H H1C4 0.8612 0.4749 0.3361 0.026 Uiso calc 1 . .
    C C2C 0.92458(10) 0.51994(13) 0.29155(6) 0.0204(4) Uani d 1 . .
    C C3C 0.91985(11) 0.60027(13) 0.30895(7) 0.0250(4) Uani d 1 . .
    H H3C3 0.9117 0.5979 0.3401 0.030 Uiso calc 1 . .
    H H3C4 0.9619 0.6260 0.3046 0.030 Uiso calc 1 . .
    C C4C 0.98386(12) 0.48336(17) 0.31252(8) 0.0332(6) Uani d 1 . .
    H H4C3 1.0228 0.5121 0.3050 0.050 Uiso calc 1 . .
    H H4C4 0.9883 0.4311 0.3024 0.050 Uiso calc 1 . .
    H H4C5 0.9784 0.4834 0.3436 0.050 Uiso calc 1 . .
    C C5C 0.93349(11) 0.51937(14) 0.24310(6) 0.0250(4) Uani d 1 . .
    H H5C1 0.8947 0.5402 0.2294 0.037 Uiso calc 1 . .
    H H5C2 0.9403 0.4673 0.2333 0.037 Uiso calc 1 . .
    H H5C3 0.9712 0.5503 0.2355 0.037 Uiso calc 1 . .
    C C6C 0.67599(11) 0.74305(13) 0.27164(7) 0.0249(4) Uani d 1 . .
    H H6C1 0.6817 0.7396 0.2403 0.030 Uiso calc 1 . .
    H H6C2 0.6672 0.7967 0.2787 0.030 Uiso calc 1 . .
    C C7C 0.61710(11) 0.69604(14) 0.28422(7) 0.0250(4) Uani d 1 . .
    C C8C 0.62341(11) 0.61555(14) 0.26747(8) 0.0271(5) Uani d 1 . .
    H H8C1 0.5818 0.5889 0.2719 0.033 Uiso calc 1 . .
    H H8C2 0.6316 0.6175 0.2363 0.033 Uiso calc 1 . .
    C C9C 0.60537(12) 0.69717(16) 0.33251(7) 0.0312(5) Uani d 1 . .
    H H9C1 0.5658 0.6690 0.3391 0.047 Uiso calc 1 . .
    H H9C2 0.6007 0.7496 0.3422 0.047 Uiso calc 1 . .
    H H9C3 0.6422 0.6736 0.3471 0.047 Uiso calc 1 . .
    C C10C 0.55839(14) 0.73118(18) 0.26123(9) 0.0421(7) Uani d 1 . .
    H H10G 0.5646 0.7277 0.2303 0.063 Uiso calc 1 . .
    H H10H 0.5542 0.7844 0.2695 0.063 Uiso calc 1 . .
    H H10I 0.5190 0.7037 0.2693 0.063 Uiso calc 1 . .
    Cl Cl1P 0.87873(3) 0.35173(3) 0.61703(2) 0.02205(10) Uani d 1 . .
    O O1P 0.86864(9) 0.30699(9) 0.57889(6) 0.0307(4) Uani d 1 . .
    O O2P 0.93932(11) 0.39045(13) 0.61403(8) 0.0492(6) Uani d 1 . .
    O O3P 0.87621(13) 0.30179(12) 0.65299(6) 0.0492(6) Uani d 1 . .
    O O4P 0.82714(11) 0.40598(11) 0.61975(6) 0.0399(5) Uani d 1 . .
    Cl Cl2Q 0.60607(3) 0.62761(3) 0.45976(2) 0.02007(10) Uani d 1 . .
    O O1Q 0.66222(11) 0.66244(12) 0.44072(7) 0.0461(5) Uani d 1 . .
    O O2Q 0.61357(15) 0.54746(11) 0.45927(7) 0.0583(7) Uani d 1 . .
    O O3Q 0.60013(10) 0.65500(9) 0.50285(5) 0.0306(4) Uani d 1 . .
    O O4Q 0.55041(12) 0.64969(15) 0.43565(7) 0.0550(6) Uani d 1 . .
    Cl Cl3R 0.61738(3) 0.38323(3) 0.29233(2) 0.02591(11) Uani d 1 . .
    O O1R 0.62185(12) 0.41908(12) 0.33324(7) 0.0462(5) Uani d 1 . .
    O O2R 0.6456(3) 0.30919(16) 0.28913(16) 0.0462(13) Uani d 0.529(6) A 1
    O O3R 0.6370(3) 0.4267(2) 0.25554(9) 0.070(2) Uani d 0.529(6) A 1
    O O4R 0.54967(9) 0.3750(4) 0.2822(2) 0.077(2) Uani d 0.529(6) A 1
    O O5R 0.68302(11) 0.3923(3) 0.27750(15) 0.0452(15) Uani d 0.471(6) A 2
    O O6R 0.5724(3) 0.4243(3) 0.26626(14) 0.0512(16) Uani d 0.471(6) A 2
    O O7R 0.6056(4) 0.30346(10) 0.29699(17) 0.0485(15) Uani d 0.471(6) A 2
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    Cr1A 0.01807(15) 0.01021(15) 0.01276(14) 0.00180(10) 0.00074(10) 0.00106(10)
    Br1A 0.03104(11) 0.01724(10) 0.01315(9) 0.00004(7) 0.00137(7) 0.00075(6)
    Br2A 0.02793(11) 0.01914(11) 0.01598(9) -0.00214(7) 0.00514(7) -0.00147(7)
    N1A 0.0239(9) 0.0124(8) 0.0174(8) 0.0012(6) -0.0012(6) 0.0012(6)
    N2A 0.0214(8) 0.0176(9) 0.0314(10) 0.0045(7) -0.0016(7) 0.0055(7)
    N3A 0.0204(8) 0.0119(8) 0.0191(8) 0.0015(6) -0.0025(6) 0.0017(6)
    N4A 0.0213(8) 0.0120(8) 0.0159(7) 0.0021(6) 0.0021(6) 0.0006(6)
    C1A 0.0253(10) 0.0239(11) 0.0233(10) -0.0053(8) -0.0045(8) 0.0029(8)
    C2A 0.0220(10) 0.0242(11) 0.0216(10) -0.0016(8) -0.0062(8) 0.0001(8)
    C3A 0.0220(10) 0.0265(12) 0.0290(11) 0.0023(8) -0.0011(8) 0.0006(8)
    C4A 0.0422(14) 0.0379(14) 0.0252(11) 0.0054(11) -0.0116(10) -0.0048(10)
    C5A 0.0264(12) 0.0403(16) 0.0485(16) -0.0084(11) -0.0025(11) 0.0032(12)
    C6A 0.0186(9) 0.0169(10) 0.0198(9) 0.0033(7) 0.0004(7) -0.0008(7)
    C7A 0.0196(9) 0.0163(9) 0.0130(8) 0.0000(7) 0.0003(7) 0.0004(6)
    C8A 0.0214(9) 0.0147(9) 0.0156(8) 0.0003(7) 0.0004(7) 0.0019(6)
    C9A 0.0207(9) 0.0262(11) 0.0207(9) -0.0031(8) 0.0029(7) 0.0008(8)
    C10A 0.0273(10) 0.0228(11) 0.0142(8) 0.0004(8) -0.0014(7) -0.0007(7)
    Cr2B 0.01444(14) 0.01041(15) 0.01179(13) 0.00034(10) -0.00175(10)
                                                                    -0.00169(10)
    Br1B 0.02322(10) 0.01904(10) 0.01319(9) -0.00211(7) 0.00067(7) -0.00349(6)
    Br2B 0.02469(10) 0.02097(11) 0.01337(9) -0.00362(7) 0.00062(7) -0.00448(7)
    N1B 0.0213(8) 0.0130(8) 0.0170(8) -0.0017(6) -0.0038(6) -0.0008(6)
    N2B 0.0161(7) 0.0147(8) 0.0240(8) 0.0005(6) -0.0033(6) 0.0008(6)
    N3B 0.0186(8) 0.0153(8) 0.0192(8) 0.0030(6) -0.0049(6) -0.0026(6)
    N4B 0.0164(7) 0.0116(8) 0.0201(8) 0.0002(6) -0.0006(6) -0.0018(6)
    C1B 0.0243(10) 0.0209(10) 0.0149(8) -0.0074(8) -0.0031(7) 0.0025(7)
    C2B 0.0178(9) 0.0235(10) 0.0157(8) -0.0058(7) -0.0007(7) 0.0006(7)
    C3B 0.0152(9) 0.0267(11) 0.0227(10) -0.0008(8) -0.0001(7) -0.0016(8)
    C4B 0.0228(10) 0.0281(11) 0.0158(9) -0.0048(8) -0.0041(7) -0.0012(8)
    C5B 0.0234(11) 0.0407(14) 0.0242(10) -0.0126(9) 0.0014(8) -0.0002(9)
    C6B 0.0159(9) 0.0197(10) 0.0224(9) 0.0024(7) -0.0018(7) -0.0065(7)
    C7B 0.0166(9) 0.0178(10) 0.0236(10) -0.0001(7) -0.0025(7) -0.0059(7)
    C8B 0.0183(9) 0.0147(9) 0.0234(9) -0.0029(7) 0.0006(7) -0.0017(7)
    C9B 0.0187(10) 0.0311(13) 0.0426(14) -0.0048(9) 0.0015(9) -0.0068(10)
    C10B 0.0283(11) 0.0275(12) 0.0251(10) 0.0020(9) -0.0065(9) -0.0113(8)
    Cr3C 0.01761(15) 0.01122(15) 0.01120(13) 0.00002(10) 0.00117(10)
                                                                    -0.00110(10)
    Br1C 0.03008(11) 0.02170(11) 0.01220(9) 0.00659(8) 0.00108(7) -0.00062(7)
    Br2C 0.03001(11) 0.02544(12) 0.01229(9) 0.00771(8) 0.00140(7) -0.00137(7)
    N1C 0.0233(8) 0.0135(8) 0.0185(8) 0.0012(6) 0.0008(6) -0.0030(6)
    N2C 0.0225(9) 0.0168(9) 0.0260(9) -0.0030(7) 0.0011(7) -0.0053(7)
    N3C 0.0273(9) 0.0125(8) 0.0174(8) 0.0016(6) 0.0053(6) -0.0003(6)
    N4C 0.0208(8) 0.0187(9) 0.0277(9) -0.0024(7) 0.0004(7) 0.0027(7)
    C1C 0.0276(10) 0.0195(10) 0.0178(9) 0.0055(8) 0.0006(8) -0.0009(7)
    C2C 0.0202(9) 0.0267(11) 0.0143(8) 0.0058(8) -0.0004(7) -0.0045(7)
    C3C 0.0219(10) 0.0292(12) 0.0239(10) 0.0001(8) -0.0035(8) -0.0102(8)
    C4C 0.0280(12) 0.0474(15) 0.0244(11) 0.0142(11) -0.0063(9) -0.0070(10)
    C5C 0.0244(10) 0.0344(12) 0.0161(9) 0.0025(9) 0.0013(8) -0.0060(8)
    C6C 0.0346(12) 0.0206(11) 0.0195(9) 0.0114(9) 0.0048(8) 0.0051(8)
    C7C 0.0237(10) 0.0305(12) 0.0208(10) 0.0097(9) 0.0013(8) 0.0003(8)
    C8C 0.0211(10) 0.0319(13) 0.0284(11) 0.0026(8) -0.0030(8) -0.0011(9)
    C9C 0.0268(11) 0.0423(15) 0.0244(11) 0.0041(10) 0.0082(9) -0.0001(10)
    C10C 0.0372(14) 0.0519(18) 0.0374(14) 0.0235(13) -0.0056(11) -0.0024(12)
    Cl1P 0.0285(2) 0.0157(2) 0.0219(2) 0.00190(18) 0.00275(18) 0.00091(17)
    O1P 0.0421(10) 0.0175(8) 0.0323(9) 0.0008(7) 0.0004(7) -0.0055(6)
    O2P 0.0382(11) 0.0560(14) 0.0535(13) -0.0205(10) -0.0062(10) -0.0071(10)
    O3P 0.0796(17) 0.0371(12) 0.0308(10) 0.0115(11) 0.0024(10) 0.0155(8)
    O4P 0.0510(12) 0.0265(10) 0.0421(11) 0.0188(9) 0.0103(9) -0.0024(8)
    Cl2Q 0.0308(3) 0.0143(2) 0.0151(2) -0.00351(18) 0.00013(17) -0.00130(15)
    O1Q 0.0485(12) 0.0486(13) 0.0411(11) -0.0201(10) 0.0232(9) -0.0174(9)
    O2Q 0.127(2) 0.0115(9) 0.0362(11) 0.0078(11) 0.0110(13) -0.0033(7)
    O3Q 0.0501(11) 0.0256(9) 0.0161(7) 0.0085(7) 0.0024(7) -0.0026(6)
    O4Q 0.0487(13) 0.0718(17) 0.0446(12) 0.0006(11) -0.0225(10) -0.0051(11)
    Cl3R 0.0322(3) 0.0144(2) 0.0311(3) 0.00260(19) 0.0053(2) 0.00028(18)
    O1R 0.0581(14) 0.0355(12) 0.0450(12) 0.0125(10) -0.0116(10) -0.0162(9)
    O2R 0.061(3) 0.022(2) 0.056(3) 0.021(2) -0.010(2) -0.0047(17)
    O3R 0.147(7) 0.021(2) 0.042(2) -0.021(3) 0.017(3) -0.0061(17)
    O4R 0.049(3) 0.085(5) 0.098(5) 0.038(3) -0.032(3) -0.035(4)
    O5R 0.034(2) 0.064(3) 0.038(3) -0.012(2) 0.0173(19) -0.021(2)
    O6R 0.075(4) 0.038(3) 0.041(3) 0.024(3) -0.019(3) 0.003(2)
    O7R 0.086(5) 0.013(2) 0.047(3) -0.001(2) 0.006(3) 0.0009(16)
_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
    Cr1A N3A . 2.0819(17) ?
    Cr1A N4A . 2.0881(17) ?
    Cr1A N2A . 2.0990(19) ?
    Cr1A N1A . 2.1044(18) ?
    Cr1A Br1A . 2.4714(6) ?
    Cr1A Br2A . 2.4867(6) ?
    N1A C1A . 1.495(3) ?
    N1A H1A1 . 0.9100 ?
    N1A H1A2 . 0.9100 ?
    N2A C3A . 1.483(3) ?
    N2A H2A1 . 0.9100 ?
    N2A H2A2 . 0.9100 ?
    N3A C6A . 1.492(3) ?
    N3A H3A1 . 0.9100 ?
    N3A H3A2 . 0.9100 ?
    N4A C8A . 1.490(3) ?
    N4A H4A1 . 0.9100 ?
    N4A H4A2 . 0.9100 ?
    C1A C2A . 1.521(3) ?
    C1A H1A3 . 0.9900 ?
    C1A H1A4 . 0.9900 ?
    C2A C4A . 1.523(3) ?
    C2A C3A . 1.526(3) ?
    C2A C5A . 1.546(3) ?
    C3A H3A3 . 0.9900 ?
    C3A H3A4 . 0.9900 ?
    C4A H4A3 . 0.9800 ?
    C4A H4A4 . 0.9800 ?
    C4A H4A5 . 0.9800 ?
    C5A H5A1 . 0.9800 ?
    C5A H5A2 . 0.9800 ?
    C5A H5A3 . 0.9800 ?
    C6A C7A . 1.533(3) ?
    C6A H6A1 . 0.9900 ?
    C6A H6A2 . 0.9900 ?
    C7A C8A . 1.529(3) ?
    C7A C9A . 1.531(3) ?
    C7A C10A . 1.536(3) ?
    C8A H8A1 . 0.9900 ?
    C8A H8A2 . 0.9900 ?
    C9A H9A1 . 0.9800 ?
    C9A H9A2 . 0.9800 ?
    C9A H9A3 . 0.9800 ?
    C10A H10A . 0.9800 ?
    C10A H10B . 0.9800 ?
    C10A H10C . 0.9800 ?
    Cr2B N2B . 2.0816(17) ?
    Cr2B N1B . 2.0917(18) ?
    Cr2B N3B . 2.0941(17) ?
    Cr2B N4B . 2.0959(17) ?
    Cr2B Br1B . 2.4653(6) ?
    Cr2B Br2B . 2.4778(6) ?
    N1B C1B . 1.489(3) ?
    N1B H1B1 . 0.9100 ?
    N1B H1B2 . 0.9100 ?
    N2B C3B . 1.485(3) ?
    N2B H2B1 . 0.9100 ?
    N2B H2B2 . 0.9100 ?
    N3B C6B . 1.487(3) ?
    N3B H3B1 . 0.9100 ?
    N3B H3B2 . 0.9100 ?
    N4B C8B . 1.487(3) ?
    N4B H4B1 . 0.9100 ?
    N4B H4B2 . 0.9100 ?
    C1B C2B . 1.524(3) ?
    C1B H1B3 . 0.9900 ?
    C1B H1B4 . 0.9900 ?
    C2B C3B . 1.526(3) ?
    C2B C4B . 1.535(3) ?
    C2B C5B . 1.536(3) ?
    C3B H3B3 . 0.9900 ?
    C3B H3B4 . 0.9900 ?
    C4B H4B3 . 0.9800 ?
    C4B H4B4 . 0.9800 ?
    C4B H4B5 . 0.9800 ?
    C5B H5B1 . 0.9800 ?
    C5B H5B2 . 0.9800 ?
    C5B H5B3 . 0.9800 ?
    C6B C7B . 1.534(3) ?
    C6B H6B1 . 0.9900 ?
    C6B H6B2 . 0.9900 ?
    C7B C8B . 1.529(3) ?
    C7B C9B . 1.532(3) ?
    C7B C10B . 1.535(3) ?
    C8B H8B1 . 0.9900 ?
    C8B H8B2 . 0.9900 ?
    C9B H9B1 . 0.9800 ?
    C9B H9B2 . 0.9800 ?
    C9B H9B3 . 0.9800 ?
    C10B H10D . 0.9800 ?
    C10B H10E . 0.9800 ?
    C10B H10F . 0.9800 ?
    Cr3C N4C . 2.0761(19) ?
    Cr3C N3C . 2.0794(18) ?
    Cr3C N2C . 2.0958(19) ?
    Cr3C N1C . 2.0982(18) ?
    Cr3C Br1C . 2.4732(6) ?
    Cr3C Br2C . 2.4735(6) ?
    N1C C1C . 1.489(3) ?
    N1C H1C1 . 0.9100 ?
    N1C H1C2 . 0.9100 ?
    N2C C3C . 1.496(3) ?
    N2C H2C1 . 0.9100 ?
    N2C H2C2 . 0.9100 ?
    N3C C6C . 1.491(3) ?
    N3C H3C1 . 0.9100 ?
    N3C H3C2 . 0.9100 ?
    N4C C8C . 1.494(3) ?
    N4C H4C1 . 0.9100 ?
    N4C H4C2 . 0.9100 ?
    C1C C2C . 1.534(3) ?
    C1C H1C3 . 0.9900 ?
    C1C H1C4 . 0.9900 ?
    C2C C3C . 1.523(3) ?
    C2C C5C . 1.528(3) ?
    C2C C4C . 1.532(3) ?
    C3C H3C3 . 0.9900 ?
    C3C H3C4 . 0.9900 ?
    C4C H4C3 . 0.9800 ?
    C4C H4C4 . 0.9800 ?
    C4C H4C5 . 0.9800 ?
    C5C H5C1 . 0.9800 ?
    C5C H5C2 . 0.9800 ?
    C5C H5C3 . 0.9800 ?
    C6C C7C . 1.525(3) ?
    C6C H6C1 . 0.9900 ?
    C6C H6C2 . 0.9900 ?
    C7C C8C . 1.521(3) ?
    C7C C9C . 1.531(3) ?
    C7C C10C . 1.541(3) ?
    C8C H8C1 . 0.9900 ?
    C8C H8C2 . 0.9900 ?
    C9C H9C1 . 0.9800 ?
    C9C H9C2 . 0.9800 ?
    C9C H9C3 . 0.9800 ?
    C10C H10G . 0.9800 ?
    C10C H10H . 0.9800 ?
    C10C H10I . 0.9800 ?
    Cl1P O2P . 1.429(2) ?
    Cl1P O3P . 1.4311(19) ?
    Cl1P O4P . 1.4357(19) ?
    Cl1P O1P . 1.4469(17) ?
    Cl2Q O2Q . 1.4245(19) ?
    Cl2Q O4Q . 1.430(2) ?
    Cl2Q O3Q . 1.4384(16) ?
    Cl2Q O1Q . 1.442(2) ?
    Cl3R O1R . 1.432(2) ?
    Cl3R O6R . 1.4335(10) ?
    Cl3R O2R . 1.4357(10) ?
    Cl3R O7R . 1.4377(10) ?
    Cl3R O4R . 1.4414(10) ?
    Cl3R O3R . 1.4422(10) ?
    Cl3R O5R . 1.4423(10) ?
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
    N3A Cr1A N4A . . 87.93(7) ?
    N3A Cr1A N2A . . 178.67(7) ?
    N4A Cr1A N2A . . 90.83(7) ?
    N3A Cr1A N1A . . 92.14(7) ?
    N4A Cr1A N1A . . 179.85(7) ?
    N2A Cr1A N1A . . 89.10(7) ?
    N3A Cr1A Br1A . . 91.75(5) ?
    N4A Cr1A Br1A . . 91.38(5) ?
    N2A Cr1A Br1A . . 87.78(6) ?
    N1A Cr1A Br1A . . 88.48(5) ?
    N3A Cr1A Br2A . . 88.39(5) ?
    N4A Cr1A Br2A . . 90.68(5) ?
    N2A Cr1A Br2A . . 92.12(6) ?
    N1A Cr1A Br2A . . 89.46(5) ?
    Br1A Cr1A Br2A . . 177.938(16) ?
    C1A N1A Cr1A . . 120.49(14) ?
    C1A N1A H1A1 . . 107.2 ?
    Cr1A N1A H1A1 . . 107.2 ?
    C1A N1A H1A2 . . 107.2 ?
    Cr1A N1A H1A2 . . 107.2 ?
    H1A1 N1A H1A2 . . 106.8 ?
    C3A N2A Cr1A . . 120.82(14) ?
    C3A N2A H2A1 . . 107.1 ?
    Cr1A N2A H2A1 . . 107.1 ?
    C3A N2A H2A2 . . 107.1 ?
    Cr1A N2A H2A2 . . 107.1 ?
    H2A1 N2A H2A2 . . 106.8 ?
    C6A N3A Cr1A . . 120.15(12) ?
    C6A N3A H3A1 . . 107.3 ?
    Cr1A N3A H3A1 . . 107.3 ?
    C6A N3A H3A2 . . 107.3 ?
    Cr1A N3A H3A2 . . 107.3 ?
    H3A1 N3A H3A2 . . 106.9 ?
    C8A N4A Cr1A . . 120.28(12) ?
    C8A N4A H4A1 . . 107.3 ?
    Cr1A N4A H4A1 . . 107.3 ?
    C8A N4A H4A2 . . 107.3 ?
    Cr1A N4A H4A2 . . 107.3 ?
    H4A1 N4A H4A2 . . 106.9 ?
    N1A C1A C2A . . 116.01(18) ?
    N1A C1A H1A3 . . 108.3 ?
    C2A C1A H1A3 . . 108.3 ?
    N1A C1A H1A4 . . 108.3 ?
    C2A C1A H1A4 . . 108.3 ?
    H1A3 C1A H1A4 . . 107.4 ?
    C1A C2A C4A . . 111.7(2) ?
    C1A C2A C3A . . 112.35(18) ?
    C4A C2A C3A . . 111.7(2) ?
    C1A C2A C5A . . 106.05(19) ?
    C4A C2A C5A . . 108.6(2) ?
    C3A C2A C5A . . 106.0(2) ?
    N2A C3A C2A . . 113.97(19) ?
    N2A C3A H3A3 . . 108.8 ?
    C2A C3A H3A3 . . 108.8 ?
    N2A C3A H3A4 . . 108.8 ?
    C2A C3A H3A4 . . 108.8 ?
    H3A3 C3A H3A4 . . 107.7 ?
    C2A C4A H4A3 . . 109.5 ?
    C2A C4A H4A4 . . 109.5 ?
    H4A3 C4A H4A4 . . 109.5 ?
    C2A C4A H4A5 . . 109.5 ?
    H4A3 C4A H4A5 . . 109.5 ?
    H4A4 C4A H4A5 . . 109.5 ?
    C2A C5A H5A1 . . 109.5 ?
    C2A C5A H5A2 . . 109.5 ?
    H5A1 C5A H5A2 . . 109.5 ?
    C2A C5A H5A3 . . 109.5 ?
    H5A1 C5A H5A3 . . 109.5 ?
    H5A2 C5A H5A3 . . 109.5 ?
    N3A C6A C7A . . 114.22(16) ?
    N3A C6A H6A1 . . 108.7 ?
    C7A C6A H6A1 . . 108.7 ?
    N3A C6A H6A2 . . 108.7 ?
    C7A C6A H6A2 . . 108.7 ?
    H6A1 C6A H6A2 . . 107.6 ?
    C8A C7A C9A . . 107.02(16) ?
    C8A C7A C6A . . 111.38(16) ?
    C9A C7A C6A . . 106.91(17) ?
    C8A C7A C10A . . 110.64(17) ?
    C9A C7A C10A . . 108.91(17) ?
    C6A C7A C10A . . 111.76(16) ?
    N4A C8A C7A . . 115.36(16) ?
    N4A C8A H8A1 . . 108.4 ?
    C7A C8A H8A1 . . 108.4 ?
    N4A C8A H8A2 . . 108.4 ?
    C7A C8A H8A2 . . 108.4 ?
    H8A1 C8A H8A2 . . 107.5 ?
    C7A C9A H9A1 . . 109.5 ?
    C7A C9A H9A2 . . 109.5 ?
    H9A1 C9A H9A2 . . 109.5 ?
    C7A C9A H9A3 . . 109.5 ?
    H9A1 C9A H9A3 . . 109.5 ?
    H9A2 C9A H9A3 . . 109.5 ?
    C7A C10A H10A . . 109.5 ?
    C7A C10A H10B . . 109.5 ?
    H10A C10A H10B . . 109.5 ?
    C7A C10A H10C . . 109.5 ?
    H10A C10A H10C . . 109.5 ?
    H10B C10A H10C . . 109.5 ?
    N2B Cr2B N1B . . 90.03(7) ?
    N2B Cr2B N3B . . 178.57(7) ?
    N1B Cr2B N3B . . 90.96(7) ?
    N2B Cr2B N4B . . 89.45(7) ?
    N1B Cr2B N4B . . 179.35(7) ?
    N3B Cr2B N4B . . 89.57(7) ?
    N2B Cr2B Br1B . . 87.63(5) ?
    N1B Cr2B Br1B . . 89.80(5) ?
    N3B Cr2B Br1B . . 91.33(5) ?
    N4B Cr2B Br1B . . 90.57(5) ?
    N2B Cr2B Br2B . . 92.00(5) ?
    N1B Cr2B Br2B . . 89.47(5) ?
    N3B Cr2B Br2B . . 89.05(5) ?
    N4B Cr2B Br2B . . 90.15(5) ?
    Br1B Cr2B Br2B . . 179.177(16) ?
    C1B N1B Cr2B . . 119.36(13) ?
    C1B N1B H1B1 . . 107.5 ?
    Cr2B N1B H1B1 . . 107.5 ?
    C1B N1B H1B2 . . 107.5 ?
    Cr2B N1B H1B2 . . 107.5 ?
    H1B1 N1B H1B2 . . 107.0 ?
    C3B N2B Cr2B . . 120.29(13) ?
    C3B N2B H2B1 . . 107.3 ?
    Cr2B N2B H2B1 . . 107.3 ?
    C3B N2B H2B2 . . 107.3 ?
    Cr2B N2B H2B2 . . 107.3 ?
    H2B1 N2B H2B2 . . 106.9 ?
    C6B N3B Cr2B . . 119.38(13) ?
    C6B N3B H3B1 . . 107.5 ?
    Cr2B N3B H3B1 . . 107.5 ?
    C6B N3B H3B2 . . 107.5 ?
    Cr2B N3B H3B2 . . 107.5 ?
    H3B1 N3B H3B2 . . 107.0 ?
    C8B N4B Cr2B . . 119.97(12) ?
    C8B N4B H4B1 . . 107.3 ?
    Cr2B N4B H4B1 . . 107.3 ?
    C8B N4B H4B2 . . 107.3 ?
    Cr2B N4B H4B2 . . 107.3 ?
    H4B1 N4B H4B2 . . 106.9 ?
    N1B C1B C2B . . 115.38(16) ?
    N1B C1B H1B3 . . 108.4 ?
    C2B C1B H1B3 . . 108.4 ?
    N1B C1B H1B4 . . 108.4 ?
    C2B C1B H1B4 . . 108.4 ?
    H1B3 C1B H1B4 . . 107.5 ?
    C1B C2B C3B . . 112.37(17) ?
    C1B C2B C4B . . 110.72(18) ?
    C3B C2B C4B . . 111.23(17) ?
    C1B C2B C5B . . 106.67(18) ?
    C3B C2B C5B . . 106.06(18) ?
    C4B C2B C5B . . 109.56(17) ?
    N2B C3B C2B . . 113.74(17) ?
    N2B C3B H3B3 . . 108.8 ?
    C2B C3B H3B3 . . 108.8 ?
    N2B C3B H3B4 . . 108.8 ?
    C2B C3B H3B4 . . 108.8 ?
    H3B3 C3B H3B4 . . 107.7 ?
    C2B C4B H4B3 . . 109.5 ?
    C2B C4B H4B4 . . 109.5 ?
    H4B3 C4B H4B4 . . 109.5 ?
    C2B C4B H4B5 . . 109.5 ?
    H4B3 C4B H4B5 . . 109.5 ?
    H4B4 C4B H4B5 . . 109.5 ?
    C2B C5B H5B1 . . 109.5 ?
    C2B C5B H5B2 . . 109.5 ?
    H5B1 C5B H5B2 . . 109.5 ?
    C2B C5B H5B3 . . 109.5 ?
    H5B1 C5B H5B3 . . 109.5 ?
    H5B2 C5B H5B3 . . 109.5 ?
    N3B C6B C7B . . 114.48(16) ?
    N3B C6B H6B1 . . 108.6 ?
    C7B C6B H6B1 . . 108.6 ?
    N3B C6B H6B2 . . 108.6 ?
    C7B C6B H6B2 . . 108.6 ?
    H6B1 C6B H6B2 . . 107.6 ?
    C8B C7B C9B . . 106.30(18) ?
    C8B C7B C6B . . 111.88(16) ?
    C9B C7B C6B . . 106.91(17) ?
    C8B C7B C10B . . 111.05(17) ?
    C9B C7B C10B . . 109.49(18) ?
    C6B C7B C10B . . 110.99(18) ?
    N4B C8B C7B . . 115.44(17) ?
    N4B C8B H8B1 . . 108.4 ?
    C7B C8B H8B1 . . 108.4 ?
    N4B C8B H8B2 . . 108.4 ?
    C7B C8B H8B2 . . 108.4 ?
    H8B1 C8B H8B2 . . 107.5 ?
    C7B C9B H9B1 . . 109.5 ?
    C7B C9B H9B2 . . 109.5 ?
    H9B1 C9B H9B2 . . 109.5 ?
    C7B C9B H9B3 . . 109.5 ?
    H9B1 C9B H9B3 . . 109.5 ?
    H9B2 C9B H9B3 . . 109.5 ?
    C7B C10B H10D . . 109.5 ?
    C7B C10B H10E . . 109.5 ?
    H10D C10B H10E . . 109.5 ?
    C7B C10B H10F . . 109.5 ?
    H10D C10B H10F . . 109.5 ?
    H10E C10B H10F . . 109.5 ?
    N4C Cr3C N3C . . 89.62(8) ?
    N4C Cr3C N2C . . 179.09(8) ?
    N3C Cr3C N2C . . 91.29(7) ?
    N4C Cr3C N1C . . 89.14(7) ?
    N3C Cr3C N1C . . 178.49(7) ?
    N2C Cr3C N1C . . 89.96(7) ?
    N4C Cr3C Br1C . . 89.71(5) ?
    N3C Cr3C Br1C . . 89.35(5) ?
    N2C Cr3C Br1C . . 90.41(5) ?
    N1C Cr3C Br1C . . 89.80(5) ?
    N4C Cr3C Br2C . . 90.83(5) ?
    N3C Cr3C Br2C . . 89.91(5) ?
    N2C Cr3C Br2C . . 89.07(5) ?
    N1C Cr3C Br2C . . 90.95(5) ?
    Br1C Cr3C Br2C . . 179.081(17) ?
    C1C N1C Cr3C . . 121.44(13) ?
    C1C N1C H1C1 . . 107.0 ?
    Cr3C N1C H1C1 . . 107.0 ?
    C1C N1C H1C2 . . 107.0 ?
    Cr3C N1C H1C2 . . 107.0 ?
    H1C1 N1C H1C2 . . 106.7 ?
    C3C N2C Cr3C . . 121.02(14) ?
    C3C N2C H2C1 . . 107.1 ?
    Cr3C N2C H2C1 . . 107.1 ?
    C3C N2C H2C2 . . 107.1 ?
    Cr3C N2C H2C2 . . 107.1 ?
    H2C1 N2C H2C2 . . 106.8 ?
    C6C N3C Cr3C . . 120.76(14) ?
    C6C N3C H3C1 . . 107.1 ?
    Cr3C N3C H3C1 . . 107.1 ?
    C6C N3C H3C2 . . 107.1 ?
    Cr3C N3C H3C2 . . 107.1 ?
    H3C1 N3C H3C2 . . 106.8 ?
    C8C N4C Cr3C . . 121.34(14) ?
    C8C N4C H4C1 . . 107.0 ?
    Cr3C N4C H4C1 . . 107.0 ?
    C8C N4C H4C2 . . 107.0 ?
    Cr3C N4C H4C2 . . 107.0 ?
    H4C1 N4C H4C2 . . 106.7 ?
    N1C C1C C2C . . 115.29(17) ?
    N1C C1C H1C3 . . 108.5 ?
    C2C C1C H1C3 . . 108.5 ?
    N1C C1C H1C4 . . 108.5 ?
    C2C C1C H1C4 . . 108.5 ?
    H1C3 C1C H1C4 . . 107.5 ?
    C3C C2C C5C . . 111.64(19) ?
    C3C C2C C4C . . 106.91(19) ?
    C5C C2C C4C . . 109.04(18) ?
    C3C C2C C1C . . 111.07(17) ?
    C5C C2C C1C . . 110.99(18) ?
    C4C C2C C1C . . 106.97(19) ?
    N2C C3C C2C . . 113.63(17) ?
    N2C C3C H3C3 . . 108.8 ?
    C2C C3C H3C3 . . 108.8 ?
    N2C C3C H3C4 . . 108.8 ?
    C2C C3C H3C4 . . 108.8 ?
    H3C3 C3C H3C4 . . 107.7 ?
    C2C C4C H4C3 . . 109.5 ?
    C2C C4C H4C4 . . 109.5 ?
    H4C3 C4C H4C4 . . 109.5 ?
    C2C C4C H4C5 . . 109.5 ?
    H4C3 C4C H4C5 . . 109.5 ?
    H4C4 C4C H4C5 . . 109.5 ?
    C2C C5C H5C1 . . 109.5 ?
    C2C C5C H5C2 . . 109.5 ?
    H5C1 C5C H5C2 . . 109.5 ?
    C2C C5C H5C3 . . 109.5 ?
    H5C1 C5C H5C3 . . 109.5 ?
    H5C2 C5C H5C3 . . 109.5 ?
    N3C C6C C7C . . 114.98(17) ?
    N3C C6C H6C1 . . 108.5 ?
    C7C C6C H6C1 . . 108.5 ?
    N3C C6C H6C2 . . 108.5 ?
    C7C C6C H6C2 . . 108.5 ?
    H6C1 C6C H6C2 . . 107.5 ?
    C8C C7C C6C . . 110.60(18) ?
    C8C C7C C9C . . 111.5(2) ?
    C6C C7C C9C . . 112.0(2) ?
    C8C C7C C10C . . 106.4(2) ?
    C6C C7C C10C . . 106.7(2) ?
    C9C C7C C10C . . 109.35(19) ?
    N4C C8C C7C . . 113.78(19) ?
    N4C C8C H8C1 . . 108.8 ?
    C7C C8C H8C1 . . 108.8 ?
    N4C C8C H8C2 . . 108.8 ?
    C7C C8C H8C2 . . 108.8 ?
    H8C1 C8C H8C2 . . 107.7 ?
    C7C C9C H9C1 . . 109.5 ?
    C7C C9C H9C2 . . 109.5 ?
    H9C1 C9C H9C2 . . 109.5 ?
    C7C C9C H9C3 . . 109.5 ?
    H9C1 C9C H9C3 . . 109.5 ?
    H9C2 C9C H9C3 . . 109.5 ?
    C7C C10C H10G . . 109.5 ?
    C7C C10C H10H . . 109.5 ?
    H10G C10C H10H . . 109.5 ?
    C7C C10C H10I . . 109.5 ?
    H10G C10C H10I . . 109.5 ?
    H10H C10C H10I . . 109.5 ?
    O2P Cl1P O3P . . 112.24(15) ?
    O2P Cl1P O4P . . 109.53(14) ?
    O3P Cl1P O4P . . 109.75(13) ?
    O2P Cl1P O1P . . 109.47(13) ?
    O3P Cl1P O1P . . 107.89(12) ?
    O4P Cl1P O1P . . 107.86(12) ?
    O2Q Cl2Q O4Q . . 110.67(16) ?
    O2Q Cl2Q O3Q . . 110.72(11) ?
    O4Q Cl2Q O3Q . . 109.55(13) ?
    O2Q Cl2Q O1Q . . 109.41(15) ?
    O4Q Cl2Q O1Q . . 108.20(15) ?
    O3Q Cl2Q O1Q . . 108.23(12) ?
    O1R Cl3R O6R . . 109.1(2) ?
    O1R Cl3R O2R . . 116.0(2) ?
    O1R Cl3R O7R . . 110.7(2) ?
    O6R Cl3R O7R . . 116.4(4) ?
    O1R Cl3R O4R . . 107.7(2) ?
    O2R Cl3R O4R . . 106.7(3) ?
    O1R Cl3R O3R . . 117.4(2) ?
    O2R Cl3R O3R . . 108.3(3) ?
    O4R Cl3R O3R . . 98.7(4) ?
    O1R Cl3R O5R . . 100.2(2) ?
    O6R Cl3R O5R . . 111.7(3) ?
    O7R Cl3R O5R . . 107.5(4) ?
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
    Cr1A N1A C1A C2A . . . . -53.2(2) ?
    N1A C1A C2A C4A . . . . -62.1(3) ?
    N1A C1A C2A C3A . . . . 64.4(3) ?
    N1A C1A C2A C5A . . . . 179.7(2) ?
    Cr1A N2A C3A C2A . . . . 57.8(2) ?
    C1A C2A C3A N2A . . . . -66.1(2) ?
    C4A C2A C3A N2A . . . . 60.4(3) ?
    C5A C2A C3A N2A . . . . 178.48(19) ?
    Cr1A N3A C6A C7A . . . . -60.2(2) ?
    N3A C6A C7A C8A . . . . 64.5(2) ?
    N3A C6A C7A C9A . . . . -178.87(16) ?
    N3A C6A C7A C10A . . . . -59.8(2) ?
    Cr1A N4A C8A C7A . . . . 57.6(2) ?
    C9A C7A C8A N4A . . . . 179.95(16) ?
    C6A C7A C8A N4A . . . . -63.5(2) ?
    C10A C7A C8A N4A . . . . 61.4(2) ?
    Cr2B N1B C1B C2B . . . . -55.1(2) ?
    N1B C1B C2B C3B . . . . 66.0(2) ?
    N1B C1B C2B C4B . . . . -59.0(2) ?
    N1B C1B C2B C5B . . . . -178.17(18) ?
    Cr2B N2B C3B C2B . . . . 57.2(2) ?
    C1B C2B C3B N2B . . . . -66.3(2) ?
    C4B C2B C3B N2B . . . . 58.5(2) ?
    C5B C2B C3B N2B . . . . 177.53(17) ?
    Cr2B N3B C6B C7B . . . . -58.5(2) ?
    N3B C6B C7B C8B . . . . 66.3(2) ?
    N3B C6B C7B C9B . . . . -177.70(17) ?
    N3B C6B C7B C10B . . . . -58.3(2) ?
    Cr2B N4B C8B C7B . . . . 55.4(2) ?
    C9B C7B C8B N4B . . . . 178.89(17) ?
    C6B C7B C8B N4B . . . . -64.8(2) ?
    C10B C7B C8B N4B . . . . 59.9(2) ?
    Cr3C N1C C1C C2C . . . . -51.7(2) ?
    N1C C1C C2C C3C . . . . 67.0(2) ?
    N1C C1C C2C C5C . . . . -57.8(2) ?
    N1C C1C C2C C4C . . . . -176.64(17) ?
    Cr3C N2C C3C C2C . . . . 56.3(2) ?
    C5C C2C C3C N2C . . . . 55.5(2) ?
    C4C C2C C3C N2C . . . . 174.68(19) ?
    C1C C2C C3C N2C . . . . -69.0(2) ?
    Cr3C N3C C6C C7C . . . . 54.9(2) ?
    N3C C6C C7C C8C . . . . -67.6(2) ?
    N3C C6C C7C C9C . . . . 57.3(2) ?
    N3C C6C C7C C10C . . . . 176.96(19) ?
    Cr3C N4C C8C C7C . . . . -56.2(2) ?
    C6C C7C C8C N4C . . . . 67.7(2) ?
    C9C C7C C8C N4C . . . . -57.6(3) ?
    C10C C7C C8C N4C . . . . -176.8(2) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    N2A H2A2 O4P . 0.91 2.04 2.940(3) 172.0
    N3A H3A2 O3Q . 0.91 2.22 3.075(2) 156.8
    N4A H4A2 O4P . 0.91 2.36 3.110(3) 139.1
    N2B H2B1 O1P . 0.91 2.50 3.376(3) 161.0
    N3B H3B1 O2Q . 0.91 2.07 2.965(3) 165.7
    N3B H3B2 O1R . 0.91 2.41 3.275(3) 159.3
    N1C H1C1 O5R . 0.91 2.34 3.097(3) 140.0
    N4C H4C1 O3R . 0.91 2.01 2.867(5) 155.4
    N4C H4C1 O5R . 0.91 2.34 3.180(5) 153.4
    N1A H1A1 O1P 8_765 0.91 2.55 3.393(3) 154.6
    N3A H3A1 O1P 8_765 0.91 2.19 3.004(2) 148.5
    N3A H3A1 O3P 8_765 0.91 2.52 3.354(3) 152.8
    N2C H2C2 O2R 8_765 0.91 2.11 2.889(4) 142.8
    N2C H2C2 O7R 8_765 0.91 2.03 2.841(4) 147.2
    N3C H3C2 O2R 8_765 0.91 2.05 2.878(4) 150.9
    N2B H2B2 O1Q 8_755 0.91 2.03 2.925(3) 168.6
    N4B H4B2 O1Q 8_755 0.91 2.48 3.054(3) 121.4
    N4A H4A1 Br1B . 0.91 2.67 3.4808(17) 148.3
    N1B H1B2 Br2A . 0.91 2.77 3.6017(18) 152.3
    N4B H4B1 Br1C 8_755 0.91 2.85 3.6715(17) 150.4
    N1C H1C2 Br1A 2_664 0.91 2.67 3.5081(18) 152.8
    N3C H3C1 Br2B 8_765 0.91 2.68 3.4568(18) 144.5
    N4A H4A2 Br2C 2_665 0.91 2.93 3.6665(17) 138.7
