#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:09:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179364 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/61/4326177.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4326177
loop_
_publ_author_name
'Min-Xia Yao'
'Zheng-You Wei'
'Zhi-Guo Gu'
'Qi Zheng'
'Yan Xu'
'Jing-Lin Zuo'
_publ_section_title
;
 Syntheses, Structures, and Magnetic Properties of Low-Dimensional
 Heterometallic Complexes Based on the Versatile Building Block
 [(Tp)Cr(CN)3]-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8636
_journal_page_last               8644
_journal_paper_doi               10.1021/ic2011875
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C189 H309 B9 Cl9 Cr9 Cu9 N108 O51'
_chemical_formula_weight         6366.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           160
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   34.6504(9)
_cell_length_b                   34.6504(9)
_cell_length_c                   23.2241(12)
_cell_measurement_temperature    291(2)
_cell_volume                     24148.3(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_sigmaI/netI    0.0612
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            42586
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.11
_exptl_absorpt_coefficient_mu    1.020
_exptl_absorpt_correction_T_max  0.8873
_exptl_absorpt_correction_T_min  0.8067
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_description       block
_exptl_crystal_F_000             9846
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.672
_refine_diff_density_rms         0.063
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.023(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     670
_refine_ls_number_reflns         9091
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+1.9900P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                7712
_reflns_number_total             9091
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2011875_si_002_1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               4326177
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
B1 B 0.32851(17) -0.01879(17) 0.9409(2) 0.0380(11) Uani 1 1 d .
H11A H 0.3255 -0.0479 0.9406 0.046 Uiso 1 1 d R
B2 B 0.1522(3) 0.57609(13) 0.6986(3) 0.0444(17) Uani 1 2 d S
H22D H 0.1668 0.5834 0.6618 0.053 Uiso 1 2 d SR
C1 C 0.41739(15) 0.07943(15) 0.87150(19) 0.0393(10) Uani 1 1 d .
H1 H 0.4318 0.1095 0.8619 0.047 Uiso 1 1 calc R
C2 C 0.43254(16) 0.05086(17) 0.8559(2) 0.0444(11) Uani 1 1 d .
H2 H 0.4578 0.0578 0.8343 0.053 Uiso 1 1 calc R
C3 C 0.40222(15) 0.00944(15) 0.8792(2) 0.0393(10) Uani 1 1 d .
H3 H 0.4037 -0.0166 0.8772 0.047 Uiso 1 1 calc R
C4 C 0.25027(14) 0.01244(15) 0.88566(18) 0.0386(10) Uani 1 1 d .
H4 H 0.2430 0.0342 0.8768 0.046 Uiso 1 1 calc R
C5 C 0.22374(16) -0.03278(15) 0.87243(19) 0.0402(10) Uani 1 1 d .
H5 H 0.1955 -0.0474 0.8559 0.048 Uiso 1 1 calc R
C6 C 0.25019(15) -0.05067(15) 0.89023(18) 0.0404(10) Uani 1 1 d .
H6 H 0.2426 -0.0804 0.8867 0.049 Uiso 1 1 calc R
C7 C 0.34639(14) 0.05011(15) 1.06710(18) 0.0360(9) Uani 1 1 d .
H7 H 0.3536 0.0770 1.0846 0.043 Uiso 1 1 calc R
C8 C 0.33756(15) 0.01101(15) 1.09576(19) 0.0388(10) Uani 1 1 d .
H8 H 0.3368 0.0068 1.1354 0.047 Uiso 1 1 calc R
C9 C 0.33013(16) -0.02007(15) 1.0535(2) 0.0412(10) Uani 1 1 d .
H9 H 0.3238 -0.0492 1.0594 0.049 Uiso 1 1 calc R
C10 C 0.33622(13) 0.10892(13) 0.87186(18) 0.0303(8) Uani 1 1 d .
C11 C 0.39229(13) 0.13388(13) 0.96719(18) 0.0334(9) Uani 1 1 d .
C12 C 0.29854(13) 0.09181(13) 0.98737(19) 0.0333(9) Uani 1 1 d .
C13 C 0.4263(2) 0.21317(10) 0.7776(3) 0.0397(14) Uani 1 2 d S
H13A H 0.4294 0.1890 0.7925 0.060 Uiso 0.50 1 calc PR
H13B H 0.4162 0.2250 0.8076 0.060 Uiso 0.50 1 calc PR
H13C H 0.4546 0.2361 0.7635 0.060 Uiso 0.50 1 calc PR
C14 C 0.39651(17) 0.16031(17) 0.7015(3) 0.0541(13) Uani 1 1 d .
H14A H 0.4125 0.1722 0.6657 0.065 Uiso 1 1 calc R
H14B H 0.4146 0.1524 0.7251 0.065 Uiso 1 1 calc R
C15 C 0.35568(16) 0.11932(15) 0.6879(2) 0.0465(12) Uani 1 1 d .
H15A H 0.3571 0.0951 0.7070 0.056 Uiso 1 1 calc R
H15B H 0.3558 0.1144 0.6468 0.056 Uiso 1 1 calc R
C16 C 0.28684(16) 0.12214(15) 0.6530(2) 0.0462(11) Uani 1 1 d .
H16A H 0.3002 0.1200 0.6173 0.055 Uiso 1 1 calc R
H16B H 0.2562 0.0980 0.6533 0.055 Uiso 1 1 calc R
C17 C 0.28241(16) 0.06837(15) 0.7235(2) 0.0462(12) Uani 1 1 d .
H17A H 0.2609 0.0674 0.7504 0.069 Uiso 1 1 calc R
H17B H 0.3006 0.0584 0.7421 0.069 Uiso 1 1 calc R
H17C H 0.2673 0.0493 0.6913 0.069 Uiso 1 1 calc R
C18 C 0.47692(17) 0.16533(18) 1.0739(3) 0.0569(14) Uani 1 1 d .
H18B H 0.4923 0.1614 1.1057 0.085 Uiso 1 1 calc R
H18C H 0.4726 0.1443 1.0441 0.085 Uiso 1 1 calc R
H18A H 0.4485 0.1605 1.0866 0.085 Uiso 1 1 calc R
C19 C 0.52507(16) 0.24152(17) 1.1033(2) 0.0499(12) Uani 1 1 d .
H19A H 0.5093 0.2248 1.1373 0.060 Uiso 1 1 calc R
H19B H 0.5557 0.2480 1.1065 0.060 Uiso 1 1 calc R
C20 C 0.53980(17) 0.21075(18) 1.0084(2) 0.0524(12) Uani 1 1 d .
H20A H 0.5677 0.2220 1.0292 0.063 Uiso 1 1 calc R
H20B H 0.5296 0.1799 0.9987 0.063 Uiso 1 1 calc R
C21 C 0.54880(16) 0.23600(17) 0.9546(2) 0.0473(11) Uani 1 1 d .
H21A H 0.5442 0.2163 0.9225 0.057 Uiso 1 1 calc R
H21B H 0.5798 0.2594 0.9542 0.057 Uiso 1 1 calc R
C22 C 0.5025(2) 0.25123(12) 0.8861(3) 0.0483(16) Uani 1 2 d S
H22A H 0.4811 0.2608 0.8803 0.072 Uiso 0.50 1 calc PR
H22B H 0.4890 0.2201 0.8771 0.072 Uiso 0.50 1 calc PR
H22C H 0.5277 0.2680 0.8614 0.072 Uiso 0.50 1 calc PR
C23 C 0.1742(2) 0.08712(10) 0.9738(3) 0.0387(13) Uani 1 2 d S
H23A H 0.1748 0.0613 0.9599 0.058 Uiso 0.50 1 calc PR
H23B H 0.1982 0.1134 0.9566 0.058 Uiso 0.50 1 calc PR
H23C H 0.1463 0.0849 0.9639 0.058 Uiso 0.50 1 calc PR
C24 C 0.15112(17) 0.11404(17) 1.0628(2) 0.0516(13) Uani 1 1 d .
H24A H 0.1438 0.1279 1.0316 0.062 Uiso 1 1 calc R
H24B H 0.1237 0.0920 1.0811 0.062 Uiso 1 1 calc R
C25 C 0.18059(15) 0.14818(16) 1.1053(2) 0.0480(12) Uani 1 1 d .
H25A H 0.1620 0.1449 1.1383 0.058 Uiso 1 1 calc R
H25B H 0.1890 0.1769 1.0883 0.058 Uiso 1 1 calc R
C26 C 0.21628(18) 0.12938(18) 1.1922(2) 0.0535(13) Uani 1 1 d .
H26A H 0.2396 0.1500 1.2178 0.064 Uiso 1 1 calc R
H26B H 0.1881 0.1242 1.2076 0.064 Uiso 1 1 calc R
C27 C 0.25523(16) 0.20072(16) 1.1356(2) 0.0474(11) Uani 1 1 d .
H27A H 0.2636 0.2140 1.0980 0.071 Uiso 1 1 calc R
H27B H 0.2813 0.2054 1.1559 0.071 Uiso 1 1 calc R
H27C H 0.2412 0.2142 1.1566 0.071 Uiso 1 1 calc R
C28 C 0.20709(19) 0.60355(10) 0.8405(3) 0.0376(13) Uani 1 2 d S
H28 H 0.2078 0.6039 0.8805 0.045 Uiso 1 2 calc SR
C29 C 0.2442(2) 0.62209(11) 0.8038(3) 0.0411(14) Uani 1 2 d S
H29 H 0.2739 0.6369 0.8153 0.049 Uiso 1 2 calc SR
C30 C 0.2292(2) 0.61461(11) 0.7481(3) 0.0450(15) Uani 1 2 d S
H30 H 0.2472 0.6236 0.7155 0.054 Uiso 1 2 calc SR
C31 C 0.10713(17) 0.48902(17) 0.6725(2) 0.0558(13) Uani 1 1 d .
H31 H 0.1201 0.4922 0.6365 0.067 Uiso 1 1 calc R
C32 C 0.07641(15) 0.45061(16) 0.6936(2) 0.0467(12) Uani 1 1 d .
H32 H 0.0627 0.4228 0.6760 0.056 Uiso 1 1 calc R
C33 C 0.06931(16) 0.46202(16) 0.7500(2) 0.0472(11) Uani 1 1 d .
H33 H 0.0514 0.4418 0.7781 0.057 Uiso 1 1 calc R
C34 C 0.10767(16) 0.51017(16) 0.8827(2) 0.0445(10) Uani 1 1 d .
C35 C 0.0368(2) 0.51842(12) 0.8365(3) 0.0412(15) Uani 1 2 d S
Cl1 Cl 0.14794(3) 0.85206(3) 0.80814(6) 0.0378(3) Uani 1 2 d S
Cl2 Cl 0.19107(5) 0.09554(3) 0.81466(8) 0.0451(4) Uani 1 2 d S
Cl3 Cl 0.25980(9) 0.85517(9) 0.02791(13) 0.0578(6) Uani 0.50 1 d P
Cr1 Cr 0.33973(2) 0.07761(2) 0.94118(3) 0.03119(15) Uani 1 1 d .
Cr2 Cr 0.10096(4) 0.550479(19) 0.82212(5) 0.0465(3) Uani 1 2 d S
Cu1 Cu 0.32342(2) 0.161709(12) 0.76925(3) 0.03473(16) Uani 1 2 d S
Cu2 Cu 0.46335(2) 0.231674(12) 1.00712(3) 0.03708(17) Uani 1 2 d S
Cu3 Cu 0.24856(2) 0.124280(12) 1.06876(3) 0.03590(17) Uani 1 2 d S
N1 N 0.37982(12) 0.05897(13) 0.90195(16) 0.0396(8) Uani 1 1 d .
N2 N 0.36910(12) 0.01483(12) 0.90619(16) 0.0368(8) Uani 1 1 d .
N3 N 0.34264(11) 0.04224(11) 1.00925(15) 0.0340(7) Uani 1 1 d .
N4 N 0.33378(12) -0.00025(11) 1.00181(15) 0.0348(8) Uani 1 1 d .
N5 N 0.28670(11) 0.02011(11) 0.91211(16) 0.0343(8) Uani 1 1 d .
N6 N 0.28770(11) -0.01871(12) 0.91287(16) 0.0359(8) Uani 1 1 d .
N7 N 0.32990(14) 0.12606(13) 0.83097(18) 0.0454(9) Uani 1 1 d .
N8 N 0.42032(13) 0.17093(13) 0.98023(18) 0.0470(10) Uani 1 1 d .
N9 N 0.27971(12) 0.10047(12) 1.01785(16) 0.0394(8) Uani 1 1 d .
N10 N 0.39444(18) 0.19722(9) 0.7313(2) 0.0438(13) Uani 1 2 d S
N11 N 0.31117(14) 0.11512(14) 0.70277(17) 0.0470(10) Uani 1 1 d .
N12 N 0.50410(12) 0.21194(13) 1.05070(18) 0.0434(9) Uani 1 1 d .
N13 N 0.51704(18) 0.25852(9) 0.9459(3) 0.0442(13) Uani 1 2 d S
N14 N 0.17964(17) 0.08982(8) 1.0377(2) 0.0369(11) Uani 1 2 d S
N15 N 0.22370(12) 0.15214(13) 1.12970(16) 0.0397(8) Uani 1 1 d .
N16 N 0.18258(17) 0.59129(8) 0.7479(2) 0.0384(11) Uani 1 2 d S
N17 N 0.16806(18) 0.58403(9) 0.8054(2) 0.0404(12) Uani 1 2 d S
N18 N 0.11788(14) 0.52354(15) 0.70886(19) 0.0550(11) Uani 1 1 d .
N19 N 0.09311(14) 0.50768(14) 0.7564(2) 0.0512(10) Uani 1 1 d .
N20 N 0.11135(15) 0.48628(14) 0.91282(17) 0.0547(11) Uani 1 1 d .
N21 N -0.0045(2) 0.49777(10) 0.8445(2) 0.0478(14) Uani 1 2 d S
O1 O 0.11742(10) 0.81114(10) 0.78293(12) 0.0407(7) Uani 1 1 d .
O2 O 0.12928(8) 0.87073(8) 0.8464(2) 0.0454(11) Uani 1 2 d S
O3 O 0.16428(8) 0.83572(8) 0.8576(2) 0.0489(11) Uani 1 2 d S
O4 O 0.18495(12) 0.12623(11) 0.84806(15) 0.0519(8) Uani 1 1 d .
O5 O 0.17420(14) 0.08710(7) 0.75681(18) 0.0386(10) Uani 1 2 d S
O6 O 0.23833(16) 0.11917(8) 0.8077(2) 0.0511(12) Uani 1 2 d S
O7 O 0.3078(2) 0.8723(2) 0.0146(3) 0.0468(15) Uani 0.50 1 d P
O8 O 0.2451(3) 0.8092(2) 0.0444(4) 0.067(2) Uani 0.50 1 d P
O9 O 0.2476(2) 0.8804(2) 0.0648(3) 0.0496(16) Uani 0.50 1 d P
O10 O 0.2345(2) 0.8506(2) -0.0268(3) 0.0570(18) Uani 0.50 1 d P
O1W O 0.6667 0.3333 0.8104(4) 0.0484(19) Uani 1 6 d S
H1X H 0.6873 0.3346 0.8315 0.058 Uiso 0.17 1 d PR
H1Y H 0.6740 0.3370 0.7752 0.058 Uiso 0.33 2 d SPR
O2W O 0.3333 0.6667 0.6682(3) 0.0372(16) Uani 1 6 d S
H2X H 0.3519 0.6938 0.6607 0.045 Uiso 0.17 1 d PR
H2Y H 0.3157 0.6579 0.6398 0.045 Uiso 0.33 2 d SPR
O3W O 0.3333 0.6667 0.8956(3) 0.0414(17) Uani 1 6 d S
H3X H 0.3200 0.6800 0.9078 0.050 Uiso 0.33 2 d SPR
H3Y H 0.3600 0.6800 0.9078 0.050 Uiso 0.33 2 d SPR
O4W O 0.4921(3) 0.1681(4) 0.7817(4) 0.039(2) Uani 0.30 1 d P
H4X H 0.4713 0.1467 0.7630 0.047 Uiso 0.30 1 d PR
H4Y H 0.5163 0.1784 0.7630 0.047 Uiso 0.30 1 d PR
O5W O 0.5454(2) 0.27270(12) 0.7298(4) 0.051(2) Uani 0.60 2 d SP
H5X H 0.5277 0.2762 0.7086 0.061 Uiso 0.30 1 d PR
H5Y H 0.5543 0.2907 0.7575 0.061 Uiso 0.30 1 d PR
O6W O 0.64625(14) 0.35375(14) 0.0708(4) 0.0456(18) Uani 0.60 2 d SP
H6X H 0.6407 0.3493 0.1066 0.055 Uiso 0.30 1 d PR
H6Y H 0.6626 0.3374 0.0606 0.055 Uiso 0.60 2 d SPR
O7W O 0.59417(13) 0.40583(13) 0.8630(3) 0.0666(18) Uani 0.80 2 d SP
H7X H 0.6060 0.4338 0.8720 0.080 Uiso 0.40 1 d PR
H7Y H 0.5668 0.3930 0.8723 0.080 Uiso 0.40 1 d PR
O8W O 0.5746(3) 0.3043(3) 0.2514(4) 0.065(3) Uani 0.40 1 d P
H8X H 0.5757 0.3102 0.2871 0.078 Uiso 0.40 1 d PR
H8Y H 0.5514 0.2795 0.2445 0.078 Uiso 0.40 1 d PR
O9W O 0.28230(14) 0.71770(14) -0.0081(3) 0.0478(19) Uani 0.60 2 d SP
H9X H 0.2655 0.6989 0.0172 0.057 Uiso 0.30 1 d PR
H9Y H 0.3045 0.7391 0.0083 0.057 Uiso 0.30 1 d PR
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'
B B 0.0013 0.0007 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N4 B1 N2 107.3(4) . .
N4 B1 N6 107.7(4) . .
N2 B1 N6 105.5(4) . .
N4 B1 H11A 112.1 . .
N2 B1 H11A 111.8 . .
N6 B1 H11A 112.0 . .
N16 B2 N18 106.3(4) . .
N16 B2 N18 106.3(4) . 6_565
N18 B2 N18 98.5(5) . 6_565
N16 B2 H22D 114.3 . .
N18 B2 H22D 114.9 . .
N18 B2 H22D 114.9 6_565 .
N1 C1 C2 112.3(4) . .
N1 C1 H1 123.9 . .
C2 C1 H1 123.9 . .
C1 C2 C3 105.9(4) . .
C1 C2 H2 127.0 . .
C3 C2 H2 127.0 . .
C2 C3 N2 106.4(4) . .
C2 C3 H3 126.8 . .
N2 C3 H3 126.8 . .
N5 C4 C5 111.0(4) . .
N5 C4 H4 124.5 . .
C5 C4 H4 124.5 . .
C4 C5 C6 102.8(4) . .
C4 C5 H5 128.6 . .
C6 C5 H5 128.6 . .
N6 C6 C5 109.4(4) . .
N6 C6 H6 125.3 . .
C5 C6 H6 125.3 . .
N3 C7 C8 108.8(4) . .
N3 C7 H7 125.6 . .
C8 C7 H7 125.6 . .
C9 C8 C7 106.4(4) . .
C9 C8 H8 126.8 . .
C7 C8 H8 126.8 . .
N4 C9 C8 107.5(4) . .
N4 C9 H9 126.3 . .
C8 C9 H9 126.3 . .
N7 C10 Cr1 173.8(3) . .
N8 C11 Cr1 169.8(4) . .
N9 C12 Cr1 171.3(4) . .
N10 C13 H13A 109.5 . .
N10 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
N10 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 C14 N10 120.0(5) . .
C15 C14 H14A 107.3 . .
N10 C14 H14A 107.3 . .
C15 C14 H14B 107.3 . .
N10 C14 H14B 107.3 . .
H14A C14 H14B 106.9 . .
C14 C15 N11 119.4(4) . .
C14 C15 H15A 107.5 . .
N11 C15 H15A 107.5 . .
C14 C15 H15B 107.5 . .
N11 C15 H15B 107.5 . .
H15A C15 H15B 107.0 . .
C16 C16 N11 115.9(2) 6 .
C16 C16 H16A 108.3 6 .
N11 C16 H16A 108.3 . .
C16 C16 H16B 108.3 6 .
N11 C16 H16B 108.3 . .
H16A C16 H16B 107.4 . .
N11 C17 H17A 109.5 . .
N11 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
N11 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N12 C18 H18B 109.5 . .
N12 C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N12 C18 H18A 109.5 . .
H18B C18 H18A 109.5 . .
H18C C18 H18A 109.5 . .
C19 C19 N12 115.7(2) 6 .
C19 C19 H19A 108.4 6 .
N12 C19 H19A 108.4 . .
C19 C19 H19B 108.4 6 .
N12 C19 H19B 108.4 . .
H19A C19 H19B 107.4 . .
C21 C20 N12 116.4(4) . .
C21 C20 H20A 108.2 . .
N12 C20 H20A 108.2 . .
C21 C20 H20B 108.2 . .
N12 C20 H20B 108.2 . .
H20A C20 H20B 107.3 . .
C20 C21 N13 113.2(4) . .
C20 C21 H21A 108.9 . .
N13 C21 H21A 108.9 . .
C20 C21 H21B 108.9 . .
N13 C21 H21B 108.9 . .
H21A C21 H21B 107.7 . .
N13 C22 H22A 109.5 . .
N13 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
N13 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N14 C23 H23A 109.5 . .
N14 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
N14 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 N14 106.6(4) . .
C25 C24 H24A 110.4 . .
N14 C24 H24A 110.4 . .
C25 C24 H24B 110.4 . .
N14 C24 H24B 110.4 . .
H24A C24 H24B 108.6 . .
C24 C25 N15 124.4(4) . .
C24 C25 H25A 106.2 . .
N15 C25 H25A 106.2 . .
C24 C25 H25B 106.2 . .
N15 C25 H25B 106.2 . .
H25A C25 H25B 106.4 . .
C26 C26 N15 114.2(2) 6 .
C26 C26 H26A 108.7 6 .
N15 C26 H26A 108.7 . .
C26 C26 H26B 108.7 6 .
N15 C26 H26B 108.7 . .
H26A C26 H26B 107.6 . .
N15 C27 H27A 109.5 . .
N15 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
N15 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C29 C28 N17 107.7(6) . .
C29 C28 H28 126.2 . .
N17 C28 H28 126.2 . .
C30 C29 C28 108.4(6) . .
C30 C29 H29 125.8 . .
C28 C29 H29 125.8 . .
C29 C30 N16 109.2(6) . .
C29 C30 H30 125.4 . .
N16 C30 H30 125.4 . .
C32 C31 N18 112.8(5) . .
C32 C31 H31 123.6 . .
N18 C31 H31 123.6 . .
C31 C32 C33 103.1(4) . .
C31 C32 H32 128.5 . .
C33 C32 H32 128.5 . .
N19 C33 C32 109.3(4) . .
N19 C33 H33 125.4 . .
C32 C33 H33 125.4 . .
N20 C34 Cr2 175.3(4) . .
N21 C35 Cr2 178.7(6) . .
O1 Cl1 O1 123.6(2) . 4_665
O1 Cl1 O2 115.67(14) . .
O1 Cl1 O2 115.67(14) 4_665 .
O1 Cl1 O3 99.94(17) . .
O1 Cl1 O3 99.94(17) 4_665 .
O2 Cl1 O3 92.1(3) . .
O4 Cl2 O4 111.5(3) . 6
O4 Cl2 O6 101.0(2) . .
O4 Cl2 O6 101.0(2) 6 .
O4 Cl2 O5 117.83(16) . .
O4 Cl2 O5 117.83(16) 6 .
O6 Cl2 O5 104.2(3) . .
O9 Cl3 O8 117.3(5) . .
O9 Cl3 O7 119.5(4) . .
O8 Cl3 O7 101.6(4) . .
O9 Cl3 O10 103.6(5) . .
O8 Cl3 O10 103.9(5) . .
O7 Cl3 O10 109.9(4) . .
C10 Cr1 C11 89.25(17) . .
C10 Cr1 N1 92.80(16) . .
C11 Cr1 N1 90.65(17) . .
C10 Cr1 C12 93.08(17) . .
C11 Cr1 C12 90.70(17) . .
N1 Cr1 C12 173.98(17) . .
C10 Cr1 N3 176.47(15) . .
C11 Cr1 N3 93.31(16) . .
N1 Cr1 N3 84.74(15) . .
C12 Cr1 N3 89.32(16) . .
C10 Cr1 N5 89.66(16) . .
C11 Cr1 N5 178.25(17) . .
N1 Cr1 N5 88.05(15) . .
C12 Cr1 N5 90.72(15) . .
N3 Cr1 N5 87.73(14) . .
C35 Cr2 N19 90.82(19) . 6_565
C35 Cr2 N19 90.8(2) . .
N19 Cr2 N19 82.2(3) 6_565 .
C35 Cr2 N17 178.9(3) . .
N19 Cr2 N17 88.38(17) 6_565 .
N19 Cr2 N17 88.38(17) . .
C35 Cr2 C34 88.84(19) . 6_565
N19 Cr2 C34 92.11(19) 6_565 6_565
N19 Cr2 C34 174.3(2) . 6_565
N17 Cr2 C34 91.89(17) . 6_565
C35 Cr2 C34 88.84(19) . .
N19 Cr2 C34 174.3(2) 6_565 .
N19 Cr2 C34 92.11(19) . .
N17 Cr2 C34 91.89(17) . .
C34 Cr2 C34 93.6(3) 6_565 .
N7 Cu1 N7 85.9(2) 6 .
N7 Cu1 N11 175.54(17) 6 .
N7 Cu1 N11 95.42(16) . .
N7 Cu1 N11 95.42(16) 6 6
N7 Cu1 N11 175.54(17) . 6
N11 Cu1 N11 82.9(2) . 6
N7 Cu1 N10 100.73(16) 6 .
N7 Cu1 N10 100.73(16) . .
N11 Cu1 N10 83.21(15) . .
N11 Cu1 N10 83.21(15) 6 .
N8 Cu2 N8 86.9(3) 6 .
N8 Cu2 N12 94.42(16) 6 6
N8 Cu2 N12 169.56(17) . 6
N8 Cu2 N12 169.56(17) 6 .
N8 Cu2 N12 94.42(16) . .
N12 Cu2 N12 82.4(2) 6 .
N8 Cu2 N13 106.30(16) 6 .
N8 Cu2 N13 106.30(16) . .
N12 Cu2 N13 83.29(16) 6 .
N12 Cu2 N13 83.29(16) . .
N9 Cu3 N9 84.3(2) . 6
N9 Cu3 N15 96.19(15) . 6
N9 Cu3 N15 172.06(15) 6 6
N9 Cu3 N15 172.06(15) . .
N9 Cu3 N15 96.19(15) 6 .
N15 Cu3 N15 82.2(2) 6 .
N9 Cu3 N14 104.06(15) . .
N9 Cu3 N14 104.06(15) 6 .
N15 Cu3 N14 83.53(15) 6 .
N15 Cu3 N14 83.53(15) . .
C1 N1 N2 106.0(4) . .
C1 N1 Cr1 135.7(3) . .
N2 N1 Cr1 118.3(3) . .
N1 N2 C3 109.3(3) . .
N1 N2 B1 120.9(3) . .
C3 N2 B1 129.5(4) . .
N4 N3 C7 106.8(3) . .
N4 N3 Cr1 120.2(3) . .
C7 N3 Cr1 132.3(3) . .
N3 N4 C9 110.5(3) . .
N3 N4 B1 119.3(4) . .
C9 N4 B1 130.2(4) . .
C4 N5 N6 107.7(3) . .
C4 N5 Cr1 131.5(3) . .
N6 N5 Cr1 120.4(3) . .
C6 N6 N5 108.8(4) . .
C6 N6 B1 132.6(4) . .
N5 N6 B1 118.6(3) . .
C10 N7 Cu1 172.5(4) . .
C11 N8 Cu2 175.3(4) . .
C12 N9 Cu3 172.5(4) . .
C13 N10 C14 108.6(3) . 6
C13 N10 C14 108.6(3) . .
C14 N10 C14 124.4(6) 6 .
C13 N10 Cu1 109.2(4) . .
C14 N10 Cu1 102.5(3) 6 .
C14 N10 Cu1 102.5(3) . .
C17 N11 C15 105.8(4) . .
C17 N11 C16 107.2(4) . .
C15 N11 C16 115.5(4) . .
C17 N11 Cu1 111.2(3) . .
C15 N11 Cu1 106.7(3) . .
C16 N11 Cu1 110.4(3) . .
C18 N12 C19 105.5(4) . .
C18 N12 C20 105.6(4) . .
C19 N12 C20 113.3(4) . .
C18 N12 Cu2 111.0(3) . .
C19 N12 Cu2 109.7(3) . .
C20 N12 Cu2 111.5(3) . .
C22 N13 C21 106.9(4) . .
C22 N13 C21 106.9(4) . 6
C21 N13 C21 107.6(5) . 6
C22 N13 Cu2 114.0(4) . .
C21 N13 Cu2 110.6(3) . .
C21 N13 Cu2 110.6(3) 6 .
C23 N14 C24 106.7(3) . .
C23 N14 C24 106.7(3) . 6
C24 N14 C24 104.3(5) . 6
C23 N14 Cu3 115.4(4) . .
C24 N14 Cu3 111.4(3) . .
C24 N14 Cu3 111.4(3) 6 .
C27 N15 C25 105.4(4) . .
C27 N15 C26 108.6(4) . .
C25 N15 C26 112.2(4) . .
C27 N15 Cu3 109.9(3) . .
C25 N15 Cu3 108.1(3) . .
C26 N15 Cu3 112.3(3) . .
C30 N16 N17 108.0(5) . .
C30 N16 B2 128.6(6) . .
N17 N16 B2 123.4(5) . .
N16 N17 C28 106.8(5) . .
N16 N17 Cr2 119.0(4) . .
C28 N17 Cr2 134.2(4) . .
N19 N18 C31 108.3(4) . .
N19 N18 B2 123.0(4) . .
C31 N18 B2 128.6(5) . .
N18 N19 C33 106.0(4) . .
N18 N19 Cr2 119.5(3) . .
C33 N19 Cr2 134.2(3) . .
H1X O1W H1Y 111.5 . .
H2X O2W H2Y 104.5 . .
H3X O3W H3Y 109.5 . .
H4X O4W H4Y 109.5 . .
H5X O5W H5Y 111.3 . .
H6X O6W H6Y 105.5 . .
H7X O7W H7Y 107.8 . .
O8W O8W H8X 102.6 6 .
O8W O8W H8Y 57.4 6 .
H8X O8W H8Y 109.5 . .
H9X O9W H9Y 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
B1 N4 1.526(6) .
B1 N2 1.532(6) .
B1 N6 1.558(6) .
B1 H11A 0.9595 .
B2 N16 1.465(10) .
B2 N18 1.619(6) .
B2 N18 1.619(6) 6_565
B2 H22D 0.9599 .
C1 N1 1.332(6) .
C1 C2 1.381(7) .
C1 H1 0.9300 .
C2 C3 1.396(7) .
C2 H2 0.9300 .
C3 N2 1.399(6) .
C3 H3 0.9300 .
C4 N5 1.306(5) .
C4 C5 1.398(6) .
C4 H4 0.9300 .
C5 C6 1.401(7) .
C5 H5 0.9300 .
C6 N6 1.324(6) .
C6 H6 0.9300 .
C7 N3 1.364(6) .
C7 C8 1.399(6) .
C7 H7 0.9300 .
C8 C9 1.383(6) .
C8 H8 0.9300 .
C9 N4 1.356(6) .
C9 H9 0.9300 .
C10 N7 1.197(6) .
C10 Cr1 1.979(4) .
C11 N8 1.198(5) .
C11 Cr1 1.983(4) .
C12 N9 1.101(5) .
C12 Cr1 2.033(4) .
C13 N10 1.439(9) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 C15 1.453(7) .
C14 N10 1.487(6) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 N11 1.515(6) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C16 1.475(9) 6
C16 N11 1.519(6) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 N11 1.495(6) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 N12 1.504(6) .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C18 H18A 0.9600 .
C19 C19 1.456(10) 6
C19 N12 1.525(6) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C21 1.466(7) .
C20 N12 1.597(6) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 N13 1.649(6) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 N13 1.455(9) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 N14 1.494(8) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 C25 1.486(6) .
C24 N14 1.688(6) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 N15 1.538(6) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C26 1.472(11) 6
C26 N15 1.610(6) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 N15 1.485(6) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 C29 1.402(8) .
C28 N17 1.427(8) .
C28 H28 0.9300 .
C29 C30 1.369(10) .
C29 H29 0.9300 .
C30 N16 1.400(8) .
C30 H30 0.9300 .
C31 C32 1.314(7) .
C31 N18 1.355(7) .
C31 H31 0.9300 .
C32 C33 1.425(7) .
C32 H32 0.9300 .
C33 N19 1.379(6) .
C33 H33 0.9300 .
C34 N20 1.139(6) .
C34 Cr2 2.075(5) .
C35 N21 1.253(9) .
C35 Cr2 1.953(7) .
Cl1 O1 1.404(3) .
Cl1 O1 1.404(3) 4_665
Cl1 O2 1.430(5) .
Cl1 O3 1.510(5) .
Cl2 O4 1.416(4) .
Cl2 O4 1.415(4) 6
Cl2 O6 1.427(5) .
Cl2 O5 1.436(5) .
Cl3 O9 1.430(7) .
Cl3 O8 1.459(7) .
Cl3 O7 1.492(7) .
Cl3 O10 1.507(8) .
Cr1 N1 2.018(4) .
Cr1 N3 2.034(4) .
Cr1 N5 2.035(3) .
Cr2 N19 2.050(4) 6_565
Cr2 N19 2.050(4) .
Cr2 N17 2.051(5) .
Cr2 C34 2.075(5) 6_565
Cu1 N7 1.977(4) 6
Cu1 N7 1.977(4) .
Cu1 N11 2.118(4) .
Cu1 N11 2.118(4) 6
Cu1 N10 2.306(5) .
Cu2 N8 1.976(4) 6
Cu2 N8 1.976(4) .
Cu2 N12 2.110(4) 6
Cu2 N12 2.110(4) .
Cu2 N13 2.150(6) .
Cu3 N9 2.033(4) .
Cu3 N9 2.033(4) 6
Cu3 N15 2.124(4) 6
Cu3 N15 2.124(4) .
Cu3 N14 2.190(5) .
N1 N2 1.385(5) .
N3 N4 1.356(5) .
N5 N6 1.363(5) .
N10 C14 1.487(6) 6
N13 C21 1.649(6) 6
N14 C24 1.688(6) 6
N16 N17 1.404(7) .
N18 N19 1.336(6) .
O1W H1X 0.8499 .
O1W H1Y 0.8467 .
O2W H2X 0.8500 .
O2W H2Y 0.8445 .
O3W H3X 0.8500 .
O3W H3Y 0.8500 .
O4W H4X 0.8498 .
O4W H4Y 0.8499 .
O5W H5X 0.8410 .
O5W H5Y 0.8402 .
O6W H6X 0.8501 .
O6W H6Y 1.0083 .
O7W H7X 0.8676 .
O7W H7Y 0.8505 .
O8W O8W 1.179(19) 6
O8W H8X 0.8499 .
O8W H8Y 0.8499 .
O9W H9X 0.8538 .
O9W H9Y 0.8462 .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 -0.8(5) . .
C1 C2 C3 N2 2.1(5) . .
N5 C4 C5 C6 -4.3(5) . .
C4 C5 C6 N6 1.5(5) . .
N3 C7 C8 C9 2.3(5) . .
C7 C8 C9 N4 -0.9(5) . .
N10 C14 C15 N11 1.7(8) . .
N12 C20 C21 N13 -4.1(6) . .
N14 C24 C25 N15 -11.9(7) . .
N17 C28 C29 C30 0.000(3) . .
C28 C29 C30 N16 0.000(3) . .
N18 C31 C32 C33 -3.7(7) . .
C31 C32 C33 N19 6.4(6) . .
N7 C10 Cr1 C11 -133(3) . .
N7 C10 Cr1 N1 137(3) . .
N7 C10 Cr1 C12 -42(3) . .
N7 C10 Cr1 N3 91(4) . .
N7 C10 Cr1 N5 49(3) . .
N8 C11 Cr1 C10 43(2) . .
N8 C11 Cr1 N1 136(2) . .
N8 C11 Cr1 C12 -50(2) . .
N8 C11 Cr1 N3 -140(2) . .
N8 C11 Cr1 N5 94(6) . .
N9 C12 Cr1 C10 -139(3) . .
N9 C12 Cr1 C11 -50(3) . .
N9 C12 Cr1 N1 53(3) . .
N9 C12 Cr1 N3 44(3) . .
N9 C12 Cr1 N5 131(3) . .
N21 C35 Cr2 N19 41.1(16) . 6_565
N21 C35 Cr2 N19 -41.1(16) . .
N21 C35 Cr2 N17 0.0(15) . .
N21 C35 Cr2 C34 133.2(16) . 6_565
N21 C35 Cr2 C34 -133.2(16) . .
N20 C34 Cr2 C35 97(6) . .
N20 C34 Cr2 N19 11(7) . 6_565
N20 C34 Cr2 N19 7(6) . .
N20 C34 Cr2 N17 -82(6) . .
N20 C34 Cr2 C34 -174(100) . 6_565
C2 C1 N1 N2 -0.8(5) . .
C2 C1 N1 Cr1 177.6(4) . .
C10 Cr1 N1 C1 50.2(4) . .
C11 Cr1 N1 C1 -39.1(4) . .
C12 Cr1 N1 C1 -142.0(14) . .
N3 Cr1 N1 C1 -132.4(4) . .
N5 Cr1 N1 C1 139.7(4) . .
C10 Cr1 N1 N2 -131.6(3) . .
C11 Cr1 N1 N2 139.1(3) . .
C12 Cr1 N1 N2 36.3(17) . .
N3 Cr1 N1 N2 45.9(3) . .
N5 Cr1 N1 N2 -42.0(3) . .
C1 N1 N2 C3 2.2(5) . .
Cr1 N1 N2 C3 -176.5(3) . .
C1 N1 N2 B1 177.3(4) . .
Cr1 N1 N2 B1 -1.4(5) . .
C2 C3 N2 N1 -2.7(5) . .
C2 C3 N2 B1 -177.3(4) . .
N4 B1 N2 N1 -55.7(5) . .
N6 B1 N2 N1 58.9(5) . .
N4 B1 N2 C3 118.3(5) . .
N6 B1 N2 C3 -127.1(4) . .
C8 C7 N3 N4 -2.8(5) . .
C8 C7 N3 Cr1 167.7(3) . .
C10 Cr1 N3 N4 -5(3) . .
C11 Cr1 N3 N4 -141.5(3) . .
N1 Cr1 N3 N4 -51.1(3) . .
C12 Cr1 N3 N4 127.9(3) . .
N5 Cr1 N3 N4 37.1(3) . .
C10 Cr1 N3 C7 -175(29) . .
C11 Cr1 N3 C7 49.0(4) . .
N1 Cr1 N3 C7 139.3(4) . .
C12 Cr1 N3 C7 -41.7(4) . .
N5 Cr1 N3 C7 -132.4(4) . .
C7 N3 N4 C9 2.3(5) . .
Cr1 N3 N4 C9 -169.6(3) . .
C7 N3 N4 B1 -179.0(4) . .
Cr1 N3 N4 B1 9.1(5) . .
C8 C9 N4 N3 -0.9(5) . .
C8 C9 N4 B1 -179.4(4) . .
N2 B1 N4 N3 50.8(5) . .
N6 B1 N4 N3 -62.4(5) . .
N2 B1 N4 C9 -130.8(5) . .
N6 B1 N4 C9 116.0(5) . .
C5 C4 N5 N6 5.3(5) . .
C5 C4 N5 Cr1 178.2(3) . .
C10 Cr1 N5 C4 -38.6(4) . .
C11 Cr1 N5 C4 -90(6) . .
N1 Cr1 N5 C4 -131.4(4) . .
C12 Cr1 N5 C4 54.5(4) . .
N3 Cr1 N5 C4 143.8(4) . .
C10 Cr1 N5 N6 133.5(3) . .
C11 Cr1 N5 N6 82(6) . .
N1 Cr1 N5 N6 40.7(3) . .
C12 Cr1 N5 N6 -133.4(3) . .
N3 Cr1 N5 N6 -44.2(3) . .
C5 C6 N6 N5 1.5(5) . .
C5 C6 N6 B1 178.1(4) . .
C4 N5 N6 C6 -4.2(5) . .
Cr1 N5 N6 C6 -178.0(3) . .
C4 N5 N6 B1 178.7(4) . .
Cr1 N5 N6 B1 4.9(5) . .
N4 B1 N6 C6 -122.3(5) . .
N2 B1 N6 C6 123.4(5) . .
N4 B1 N6 N5 53.9(5) . .
N2 B1 N6 N5 -60.4(4) . .
Cr1 C10 N7 Cu1 107(4) . .
N7 Cu1 N7 C10 -23(3) 6 .
N11 Cu1 N7 C10 162(3) . .
N11 Cu1 N7 C10 -131(3) 6 .
N10 Cu1 N7 C10 78(3) . .
Cr1 C11 N8 Cu2 73(6) . .
N8 Cu2 N8 C11 -71(5) 6 .
N12 Cu2 N8 C11 27(5) 6 .
N12 Cu2 N8 C11 99(5) . .
N13 Cu2 N8 C11 -177(100) . .
Cr1 C12 N9 Cu3 103(4) . .
N9 Cu3 N9 C12 2(3) 6 .
N15 Cu3 N9 C12 -170(3) 6 .
N15 Cu3 N9 C12 -92(3) . .
N14 Cu3 N9 C12 105(3) . .
C15 C14 N10 C13 133.4(5) . .
C15 C14 N10 C14 -96.9(7) . 6
C15 C14 N10 Cu1 17.9(6) . .
N7 Cu1 N10 C13 43.93(13) 6 .
N7 Cu1 N10 C13 -43.93(13) . .
N11 Cu1 N10 C13 -138.19(12) . .
N11 Cu1 N10 C13 138.19(12) 6 .
N7 Cu1 N10 C14 -71.1(4) 6 6
N7 Cu1 N10 C14 -159.0(4) . 6
N11 Cu1 N10 C14 106.8(4) . 6
N11 Cu1 N10 C14 23.1(4) 6 6
N7 Cu1 N10 C14 159.0(3) 6 .
N7 Cu1 N10 C14 71.1(4) . .
N11 Cu1 N10 C14 -23.1(4) . .
N11 Cu1 N10 C14 -106.8(4) 6 .
C14 C15 N11 C17 -141.0(5) . .
C14 C15 N11 C16 100.6(6) . .
C14 C15 N11 Cu1 -22.5(5) . .
C16 C16 N11 C17 136.3(3) 6 .
C16 C16 N11 C15 -106.1(3) 6 .
C16 C16 N11 Cu1 15.0(3) 6 .
N7 Cu1 N11 C17 -69(2) 6 .
N7 Cu1 N11 C17 38.9(3) . .
N11 Cu1 N11 C17 -137.0(3) 6 .
N10 Cu1 N11 C17 139.1(3) . .
N7 Cu1 N11 C15 176(18) 6 .
N7 Cu1 N11 C15 -76.0(3) . .
N11 Cu1 N11 C15 108.1(3) 6 .
N10 Cu1 N11 C15 24.2(3) . .
N7 Cu1 N11 C16 50(2) 6 .
N7 Cu1 N11 C16 157.7(3) . .
N11 Cu1 N11 C16 -18.1(4) 6 .
N10 Cu1 N11 C16 -102.1(3) . .
C19 C19 N12 C18 -137.9(3) 6 .
C19 C19 N12 C20 107.0(3) 6 .
C19 C19 N12 Cu2 -18.3(3) 6 .
C21 C20 N12 C18 139.7(5) . .
C21 C20 N12 C19 -105.3(5) . .
C21 C20 N12 Cu2 19.0(5) . .
N8 Cu2 N12 C18 65.4(10) 6 .
N8 Cu2 N12 C18 -31.7(4) . .
N12 Cu2 N12 C18 138.3(3) 6 .
N13 Cu2 N12 C18 -137.6(4) . .
N8 Cu2 N12 C19 -50.8(10) 6 .
N8 Cu2 N12 C19 -147.9(3) . .
N12 Cu2 N12 C19 22.1(3) 6 .
N13 Cu2 N12 C19 106.2(3) . .
N8 Cu2 N12 C20 -177.1(8) 6 .
N8 Cu2 N12 C20 85.8(3) . .
N12 Cu2 N12 C20 -104.2(3) 6 .
N13 Cu2 N12 C20 -20.2(3) . .
C20 C21 N13 C22 -136.9(5) . .
C20 C21 N13 C21 108.5(5) . 6
C20 C21 N13 Cu2 -12.3(5) . .
N8 Cu2 N13 C22 -45.79(13) 6 .
N8 Cu2 N13 C22 45.79(14) . .
N12 Cu2 N13 C22 -138.45(11) 6 .
N12 Cu2 N13 C22 138.45(11) . .
N8 Cu2 N13 C21 -166.3(3) 6 .
N8 Cu2 N13 C21 -74.7(3) . .
N12 Cu2 N13 C21 101.1(3) 6 .
N12 Cu2 N13 C21 18.0(3) . .
N8 Cu2 N13 C21 74.7(3) 6 6
N8 Cu2 N13 C21 166.3(3) . 6
N12 Cu2 N13 C21 -18.0(3) 6 6
N12 Cu2 N13 C21 -101.1(3) . 6
C25 C24 N14 C23 -134.4(4) . .
C25 C24 N14 C24 112.8(4) . 6
C25 C24 N14 Cu3 -7.6(5) . .
N9 Cu3 N14 C23 -43.79(12) . .
N9 Cu3 N14 C23 43.79(12) 6 .
N15 Cu3 N14 C23 -138.57(11) 6 .
N15 Cu3 N14 C23 138.57(11) . .
N9 Cu3 N14 C24 -165.7(3) . .
N9 Cu3 N14 C24 -78.2(3) 6 .
N15 Cu3 N14 C24 99.5(3) 6 .
N15 Cu3 N14 C24 16.6(3) . .
N9 Cu3 N14 C24 78.2(3) . 6
N9 Cu3 N14 C24 165.7(3) 6 6
N15 Cu3 N14 C24 -16.6(3) 6 6
N15 Cu3 N14 C24 -99.5(3) . 6
C24 C25 N15 C27 143.1(5) . .
C24 C25 N15 C26 -98.8(6) . .
C24 C25 N15 Cu3 25.6(6) . .
C26 C26 N15 C27 -137.2(3) 6 .
C26 C26 N15 C25 106.6(3) 6 .
C26 C26 N15 Cu3 -15.4(3) 6 .
N9 Cu3 N15 C27 60.9(12) . .
N9 Cu3 N15 C27 -32.3(3) 6 .
N15 Cu3 N15 C27 139.8(3) 6 .
N14 Cu3 N15 C27 -135.8(3) . .
N9 Cu3 N15 C25 175.6(10) . .
N9 Cu3 N15 C25 82.3(3) 6 .
N15 Cu3 N15 C25 -105.6(3) 6 .
N14 Cu3 N15 C25 -21.2(3) . .
N9 Cu3 N15 C26 -60.1(12) . .
N9 Cu3 N15 C26 -153.4(3) 6 .
N15 Cu3 N15 C26 18.8(3) 6 .
N14 Cu3 N15 C26 103.1(3) . .
C29 C30 N16 N17 0.000(2) . .
C29 C30 N16 B2 180.000(2) . .
N18 B2 N16 C30 127.9(3) . .
N18 B2 N16 C30 -127.9(3) 6_565 .
N18 B2 N16 N17 -52.1(3) . .
N18 B2 N16 N17 52.1(3) 6_565 .
C30 N16 N17 C28 0.000(3) . .
B2 N16 N17 C28 180.000(3) . .
C30 N16 N17 Cr2 180.000(2) . .
B2 N16 N17 Cr2 0.000(4) . .
C29 C28 N17 N16 0.000(2) . .
C29 C28 N17 Cr2 180.000(1) . .
C35 Cr2 N17 N16 0.0(4) . .
N19 Cr2 N17 N16 -41.11(14) 6_565 .
N19 Cr2 N17 N16 41.11(14) . .
C34 Cr2 N17 N16 -133.16(14) 6_565 .
C34 Cr2 N17 N16 133.16(14) . .
C35 Cr2 N17 C28 180(100) . .
N19 Cr2 N17 C28 138.89(14) 6_565 .
N19 Cr2 N17 C28 -138.89(13) . .
C34 Cr2 N17 C28 46.84(14) 6_565 .
C34 Cr2 N17 C28 -46.84(14) . .
C32 C31 N18 N19 -0.3(7) . .
C32 C31 N18 B2 -177.1(5) . .
N16 B2 N18 N19 55.8(6) . .
N18 B2 N18 N19 -54.0(7) 6_565 .
N16 B2 N18 C31 -127.9(6) . .
N18 B2 N18 C31 122.3(5) 6_565 .
C31 N18 N19 C33 4.4(6) . .
B2 N18 N19 C33 -178.6(5) . .
C31 N18 N19 Cr2 179.1(4) . .
B2 N18 N19 Cr2 -3.9(7) . .
C32 C33 N19 N18 -6.8(6) . .
C32 C33 N19 Cr2 179.7(4) . .
C35 Cr2 N19 N18 141.6(4) . .
N19 Cr2 N19 N18 50.9(5) 6_565 .
N17 Cr2 N19 N18 -37.7(4) . .
C34 Cr2 N19 N18 55(2) 6_565 .
C34 Cr2 N19 N18 -129.5(4) . .
C35 Cr2 N19 C33 -45.5(5) . .
N19 Cr2 N19 C33 -136.3(5) 6_565 .
N17 Cr2 N19 C33 135.2(5) . .
C34 Cr2 N19 C33 -132.0(18) 6_565 .
C34 Cr2 N19 C33 43.3(5) . .
