#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:28:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179112 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/74/4307474.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_4307474
loop_
_publ_author_name
'Ai-Ling Cheng'
'Na Liu'
'Jian-Yong Zhang'
'En-Qing Gao'
_publ_contact_author_address
;Shanghai Key Laboratory of Green Chemistry and Chemical Processes,
Department of Chemistry,
East China Normal University, 
Shanghai 200062, P. R. China
;
_publ_contact_author_email       eqgao@chem.ecnu.edu.cn
_publ_contact_author_fax         +86-21-62233424
_publ_contact_author_name        'En-Qing Gao'
_publ_contact_author_phone       +86-21-62233404
_publ_section_title
;
Assembling the Cage-Based Metal-Organic Network from a Cubic Metalloligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1034
_journal_page_last               1035
_journal_paper_doi               10.1021/ic061943l
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C130 H270 Co8 N52 Ni7 O93'
_chemical_formula_weight         4932.39
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.441(3)
_cell_angle_beta                 98.555(4)
_cell_angle_gamma                112.615(4)
_cell_formula_units_Z            2
_cell_length_a                   18.057(4)
_cell_length_b                   18.204(4)
_cell_length_c                   19.226(4)
_cell_measurement_reflns_used    930
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19.651
_cell_measurement_theta_min      2.242
_cell_volume                     5058.2(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0938
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            17571
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.33
_diffrn_standards_decay_%        3.60
_exptl_absorpt_coefficient_mu    1.379
_exptl_absorpt_correction_T_max  0.9342
_exptl_absorpt_correction_T_min  0.8744
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2570
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.872
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1315
_refine_ls_number_reflns         17571
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.1384
_refine_ls_R_factor_gt           0.0690
_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)+(0.0843P)²+0.1203P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1467
_refine_ls_wR_factor_ref         0.1715
_reflns_number_gt                9800
_reflns_number_total             17571
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061943lsi20061011_044427.cif
_cod_data_source_block           Gao
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5058(2)
_cod_database_code               4307474
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.44466(5) 0.76968(5) 0.62973(5) 0.0340(2) Uani 1 1 d . . .
Co2 Co 0.38584(5) 0.48799(6) 0.74012(5) 0.0355(2) Uani 1 1 d . . .
Co3 Co 0.21214(5) 0.18910(5) 0.39738(5) 0.0297(2) Uani 1 1 d . . .
Co4 Co 0.26485(5) 0.46464(5) 0.27516(5) 0.0313(2) Uani 1 1 d . . .
Ni1 Ni 0.5000 1.0000 0.5000 0.0380(3) Uani 1 2 d S . .
Ni2 Ni 1.0000 0.5000 0.5000 0.0346(3) Uani 1 2 d S . .
Ni3 Ni 0.5000 0.0000 0.0000 0.0493(4) Uani 1 2 d S . .
Ni4 Ni 0.26205(7) 0.52139(8) 0.00104(6) 0.0629(3) Uani 1 1 d . . .
Ni5 Ni 0.0000 0.0000 0.0000 0.0464(3) Uani 1 2 d S . .
Ni6 Ni 1.0000 1.0000 0.5000 0.0578(4) Uani 1 2 d S . .
N1 N 0.4166(3) 0.6781(3) 0.6675(3) 0.0381(13) Uani 1 1 d . . .
N2 N 0.3939(3) 0.5750(3) 0.7072(3) 0.0340(13) Uani 1 1 d . . .
N3 N 0.3310(3) 0.3862(3) 0.6344(3) 0.0350(13) Uani 1 1 d . . .
N4 N 0.2663(3) 0.2768(3) 0.5085(3) 0.0270(11) Uani 1 1 d . . .
N5 N 0.2190(3) 0.2736(3) 0.3605(3) 0.0281(11) Uani 1 1 d . . .
N6 N 0.2359(3) 0.3676(3) 0.3107(3) 0.0271(11) Uani 1 1 d . . .
N7 N 0.3227(3) 0.5695(3) 0.3874(3) 0.0288(11) Uani 1 1 d . . .
N8 N 0.3887(3) 0.6799(3) 0.5141(3) 0.0271(11) Uani 1 1 d . . .
N9 N 0.5615(3) 0.7919(3) 0.6320(3) 0.0302(12) Uani 1 1 d . . .
N10 N 0.6861(3) 0.8104(3) 0.6203(3) 0.0277(11) Uani 1 1 d . . .
N11 N 0.4982(3) 0.5095(3) 0.7465(3) 0.0345(13) Uani 1 1 d . . .
N12 N 0.6247(3) 0.5283(3) 0.7398(3) 0.0302(12) Uani 1 1 d . . .
N13 N 0.4880(5) 0.9476(5) 0.3809(4) 0.081(2) Uani 1 1 d . . .
H13A H 0.5206 0.9989 0.3791 0.097 Uiso 1 1 calc R . .
N14 N 0.3850(4) 0.9954(5) 0.4650(6) 0.092(3) Uani 1 1 d . . .
H14A H 0.3458 0.9447 0.4637 0.111 Uiso 1 1 calc R . .
N15 N 1.0727(3) 0.5315(4) 0.4345(3) 0.0396(13) Uani 1 1 d . . .
H15A H 1.0506 0.4806 0.3862 0.047 Uiso 1 1 calc R . .
N16 N 0.9044(3) 0.5157(4) 0.4438(3) 0.0445(14) Uani 1 1 d . . .
H16B H 0.8721 0.4641 0.3959 0.053 Uiso 1 1 calc R . .
N17 N 0.4750(6) 0.1052(6) 0.0277(5) 0.098(3) Uani 1 1 d . . .
H17A H 0.4889 0.1257 -0.0074 0.117 Uiso 1 1 calc R . .
N18 N 0.6101(6) 0.0864(6) 0.0931(6) 0.088(2) Uani 1 1 d . . .
H18A H 0.6022 0.0787 0.1360 0.106 Uiso 1 1 calc R . .
N19 N 0.2977(4) 0.6113(5) 0.1125(4) 0.069(2) Uani 1 1 d . . .
H19A H 0.2771 0.5807 0.1392 0.083 Uiso 1 1 calc R . .
N20 N 0.1735(5) 0.5539(6) -0.0194(5) 0.092(3) Uani 1 1 d . . .
H20A H 0.1944 0.5949 -0.0370 0.110 Uiso 1 1 calc R . .
N21 N 0.2285(6) 0.4312(6) -0.1114(5) 0.089(2) Uani 1 1 d . . .
H21B H 0.2588 0.4626 -0.1338 0.107 Uiso 1 1 calc R . .
N22 N 0.3497(5) 0.4885(6) 0.0234(5) 0.079(2) Uani 1 1 d . . .
H22A H 0.3318 0.4541 0.0478 0.095 Uiso 1 1 calc R . .
N23 N 0.0644(4) 0.1300(4) 0.0610(4) 0.0544(17) Uani 1 1 d . . .
H23A H 0.0791 0.1495 0.0255 0.065 Uiso 1 1 calc R . .
N24 N 0.1054(4) -0.0005(4) 0.0393(4) 0.0544(16) Uani 1 1 d . . .
H24A H 0.1018 -0.0114 0.0814 0.065 Uiso 1 1 calc R . .
N25 N 0.9886(5) 0.8983(5) 0.4089(5) 0.085(2) Uani 1 1 d . . .
H25A H 1.0390 0.9190 0.4001 0.103 Uiso 1 1 calc R . .
N26 N 0.9733(5) 1.0525(5) 0.4367(4) 0.077(2) Uani 1 1 d . . .
H26B H 1.0229 1.0822 0.4298 0.093 Uiso 1 1 calc R . .
C1 C 0.4454(4) 0.6274(4) 0.6822(4) 0.0409(17) Uani 1 1 d . . .
H1A H 0.4956 0.6277 0.6760 0.049 Uiso 1 1 calc R . .
C2 C 0.3412(4) 0.6590(4) 0.6834(4) 0.0356(16) Uani 1 1 d . . .
C3 C 0.3279(4) 0.5940(4) 0.7088(4) 0.0421(17) Uani 1 1 d . . .
C4 C 0.2979(5) 0.7096(5) 0.6697(4) 0.050(2) Uani 1 1 d . . .
C5 C 0.2640(4) 0.5446(5) 0.7375(4) 0.0444(18) Uani 1 1 d . . .
C6 C 0.3064(3) 0.3663(4) 0.5588(4) 0.0308(14) Uani 1 1 d . . .
H6A H 0.3159 0.4097 0.5420 0.037 Uiso 1 1 calc R . .
C7 C 0.3039(4) 0.3049(4) 0.6340(4) 0.0322(15) Uani 1 1 d . . .
C8 C 0.2633(4) 0.2373(4) 0.5571(4) 0.0298(14) Uani 1 1 d . . .
C9 C 0.3291(4) 0.3144(5) 0.7161(4) 0.0442(17) Uani 1 1 d . . .
C10 C 0.2161(4) 0.1366(4) 0.5134(5) 0.0443(18) Uani 1 1 d . . .
C11 C 0.2695(4) 0.3242(4) 0.3355(3) 0.0275(14) Uani 1 1 d . . .
H11A H 0.3227 0.3292 0.3352 0.033 Uiso 1 1 calc R . .
C12 C 0.1461(3) 0.2808(4) 0.3484(3) 0.0277(14) Uani 1 1 d . . .
C13 C 0.1569(3) 0.3394(4) 0.3176(3) 0.0262(14) Uani 1 1 d . . .
C14 C 0.0815(4) 0.2280(4) 0.3749(4) 0.0387(16) Uani 1 1 d . . .
C15 C 0.1037(5) 0.3760(5) 0.2917(4) 0.0463(18) Uani 1 1 d . . .
C16 C 0.3554(3) 0.5909(4) 0.4626(4) 0.0343(16) Uani 1 1 d . . .
H16A H 0.3556 0.5488 0.4787 0.041 Uiso 1 1 calc R . .
C17 C 0.3356(4) 0.6493(4) 0.3881(4) 0.0365(16) Uani 1 1 d . . .
C18 C 0.3778(4) 0.7179(4) 0.4679(4) 0.0385(16) Uani 1 1 d . . .
C19 C 0.3013(5) 0.6461(5) 0.3128(4) 0.0507(19) Uani 1 1 d . . .
C20 C 0.4182(4) 0.8181(4) 0.5115(5) 0.0453(18) Uani 1 1 d . . .
C21 C 0.6021(4) 0.7627(4) 0.5847(4) 0.0302(14) Uani 1 1 d . . .
H21A H 0.5746 0.7145 0.5326 0.036 Uiso 1 1 calc R . .
C22 C 0.6237(4) 0.8623(4) 0.7022(4) 0.0308(14) Uani 1 1 d . . .
C23 C 0.7020(4) 0.8741(4) 0.6959(4) 0.0321(15) Uani 1 1 d . . .
C24 C 0.5924(5) 0.9070(4) 0.7653(4) 0.0398(16) Uani 1 1 d . . .
C25 C 0.7951(4) 0.9338(4) 0.7462(4) 0.0358(16) Uani 1 1 d . . .
C26 C 0.5417(4) 0.4836(4) 0.7000(4) 0.0323(15) Uani 1 1 d . . .
H26A H 0.5163 0.4396 0.6462 0.039 Uiso 1 1 calc R . .
C27 C 0.5575(4) 0.5746(4) 0.8209(4) 0.0321(15) Uani 1 1 d . . .
C28 C 0.6356(4) 0.5841(4) 0.8165(4) 0.0353(15) Uani 1 1 d . . .
C29 C 0.5223(5) 0.6135(5) 0.8816(4) 0.0428(17) Uani 1 1 d . . .
C30 C 0.7247(4) 0.6334(5) 0.8734(5) 0.0455(18) Uani 1 1 d . . .
C31 C 0.5317(6) 0.8957(6) 0.3547(5) 0.075(3) Uani 1 1 d . . .
H31A H 0.4932 0.8329 0.3386 0.091 Uiso 1 1 calc R . .
H31B H 0.5424 0.8978 0.3073 0.091 Uiso 1 1 calc R . .
C32 C 0.4075(6) 0.9228(6) 0.3347(6) 0.091(3) Uani 1 1 d . . .
H32A H 0.3708 0.8590 0.3167 0.110 Uiso 1 1 calc R . .
H32B H 0.4119 0.9291 0.2874 0.110 Uiso 1 1 calc R . .
C33 C 0.3632(6) 0.9748(7) 0.3738(7) 0.098(3) Uani 1 1 d . . .
H33A H 0.3019 0.9389 0.3458 0.118 Uiso 1 1 calc R . .
H33B H 0.3832 1.0312 0.3714 0.118 Uiso 1 1 calc R . .
C34 C 0.3692(8) 1.0612(9) 0.5069(11) 0.101(4) Uani 1 1 d . . .
H34A H 0.3095 1.0435 0.4844 0.121 Uiso 1 1 calc R . .
H34B H 0.4041 1.1162 0.5055 0.121 Uiso 1 1 calc R . .
C35 C 0.3891(8) 1.0767(8) 0.5888(8) 0.100(3) Uani 1 1 d . . .
H35A H 0.3718 1.1210 0.6158 0.121 Uiso 1 1 calc R . .
H35B H 0.3489 1.0204 0.5853 0.121 Uiso 1 1 calc R . .
C36 C 1.1580(4) 0.5491(5) 0.4746(4) 0.054(2) Uani 1 1 d . . .
H36A H 1.1905 0.6107 0.5187 0.065 Uiso 1 1 calc R . .
H36B H 1.1885 0.5422 0.4371 0.065 Uiso 1 1 calc R . .
C37 C 1.0772(5) 0.6062(5) 0.4176(5) 0.062(2) Uani 1 1 d . . .
H37A H 1.1114 0.6124 0.3837 0.075 Uiso 1 1 calc R . .
H37B H 1.1052 0.6629 0.4676 0.075 Uiso 1 1 calc R . .
C38 C 0.9905(6) 0.5890(5) 0.3772(5) 0.068(2) Uani 1 1 d . . .
H38A H 0.9616 0.5298 0.3299 0.081 Uiso 1 1 calc R . .
H38B H 0.9977 0.6335 0.3591 0.081 Uiso 1 1 calc R . .
C39 C 0.9322(5) 0.5920(6) 0.4268(5) 0.068(3) Uani 1 1 d . . .
H39A H 0.9623 0.6485 0.4770 0.081 Uiso 1 1 calc R . .
H39B H 0.8823 0.5905 0.3979 0.081 Uiso 1 1 calc R . .
C40 C 0.8517(5) 0.5171(5) 0.4945(5) 0.058(2) Uani 1 1 d . . .
H40A H 0.7955 0.5025 0.4639 0.069 Uiso 1 1 calc R . .
H40B H 0.8774 0.5777 0.5396 0.069 Uiso 1 1 calc R . .
C41 C 0.3328(8) 0.0174(8) -0.0617(9) 0.106(3) Uani 1 1 d . . .
H41A H 0.3574 0.0320 -0.0992 0.128 Uiso 1 1 calc R . .
H41B H 0.2790 0.0186 -0.0706 0.128 Uiso 1 1 calc R . .
C42 C 0.3906(8) 0.0908(9) 0.0202(7) 0.108(4) Uani 1 1 d . . .
H42A H 0.3885 0.1461 0.0297 0.129 Uiso 1 1 calc R . .
H42B H 0.3729 0.0739 0.0595 0.129 Uiso 1 1 calc R . .
C43 C 0.5395(7) 0.1791(6) 0.1075(6) 0.087(3) Uani 1 1 d . . .
H43A H 0.5213 0.1699 0.1498 0.104 Uiso 1 1 calc R . .
H43B H 0.5467 0.2374 0.1145 0.104 Uiso 1 1 calc R . .
C44 C 0.6239(8) 0.1766(7) 0.1105(7) 0.114(4) Uani 1 1 d . . .
H44A H 0.6445 0.1917 0.0715 0.137 Uiso 1 1 calc R . .
H44B H 0.6667 0.2209 0.1633 0.137 Uiso 1 1 calc R . .
C45 C 0.6872(6) 0.0789(8) 0.0830(7) 0.114(4) Uani 1 1 d . . .
H45A H 0.7360 0.1217 0.1323 0.137 Uiso 1 1 calc R . .
H45B H 0.7005 0.0919 0.0405 0.137 Uiso 1 1 calc R . .
C46 C 0.2553(6) 0.6680(7) 0.1159(5) 0.090(3) Uani 1 1 d . . .
H46A H 0.2559 0.6992 0.1698 0.107 Uiso 1 1 calc R . .
H46B H 0.2847 0.7129 0.1003 0.107 Uiso 1 1 calc R . .
C47 C 0.1662(7) 0.6049(7) 0.0592(5) 0.097(3) Uani 1 1 d . . .
H47A H 0.1367 0.6382 0.0542 0.116 Uiso 1 1 calc R . .
H47B H 0.1351 0.5635 0.0774 0.116 Uiso 1 1 calc R . .
C48 C 0.0896(7) 0.4811(8) -0.0819(6) 0.102(4) Uani 1 1 d . . .
H48A H 0.0638 0.4354 -0.0660 0.123 Uiso 1 1 calc R . .
H48B H 0.0519 0.5065 -0.0869 0.123 Uiso 1 1 calc R . .
C49 C 0.0989(7) 0.4388(8) -0.1595(6) 0.107(4) Uani 1 1 d . . .
H49A H 0.1306 0.4858 -0.1721 0.129 Uiso 1 1 calc R . .
H49B H 0.0426 0.3996 -0.2007 0.129 Uiso 1 1 calc R . .
C50 C 0.1433(9) 0.3847(8) -0.1618(7) 0.112(4) Uani 1 1 d . . .
H50A H 0.1112 0.3383 -0.1489 0.135 Uiso 1 1 calc R . .
H50B H 0.1411 0.3540 -0.2165 0.135 Uiso 1 1 calc R . .
C51 C 0.2634(8) 0.3710(7) -0.1096(7) 0.098(4) Uani 1 1 d . . .
H51A H 0.2300 0.3305 -0.0916 0.118 Uiso 1 1 calc R . .
H51B H 0.2612 0.3345 -0.1629 0.118 Uiso 1 1 calc R . .
C52 C 0.3518(7) 0.4271(8) -0.0546(7) 0.095(3) Uani 1 1 d . . .
H52A H 0.3870 0.4626 -0.0754 0.114 Uiso 1 1 calc R . .
H52B H 0.3748 0.3895 -0.0470 0.114 Uiso 1 1 calc R . .
C53 C 0.4361(7) 0.5607(8) 0.0761(7) 0.088(3) Uani 1 1 d . . .
H53A H 0.4585 0.5993 0.0525 0.106 Uiso 1 1 calc R . .
H53B H 0.4728 0.5343 0.0812 0.106 Uiso 1 1 calc R . .
C54 C 0.4377(6) 0.6166(6) 0.1571(6) 0.087(3) Uani 1 1 d . . .
H54A H 0.4966 0.6591 0.1924 0.105 Uiso 1 1 calc R . .
H54B H 0.4120 0.5774 0.1792 0.105 Uiso 1 1 calc R . .
C55 C 0.3905(6) 0.6680(6) 0.1542(6) 0.083(3) Uani 1 1 d . . .
H55A H 0.4012 0.7105 0.2088 0.100 Uiso 1 1 calc R . .
H55B H 0.4135 0.7030 0.1279 0.100 Uiso 1 1 calc R . .
C56 C 0.0286(6) 0.1821(5) 0.1029(5) 0.084(3) Uani 1 1 d . . .
H56A H 0.0700 0.2461 0.1282 0.101 Uiso 1 1 calc R . .
H56B H 0.0161 0.1675 0.1447 0.101 Uiso 1 1 calc R . .
C57 C 0.1458(5) 0.1532(5) 0.1171(5) 0.069(3) Uani 1 1 d . . .
H57A H 0.1363 0.1462 0.1631 0.083 Uiso 1 1 calc R . .
H57B H 0.1878 0.2157 0.1361 0.083 Uiso 1 1 calc R . .
C58 C 0.1776(5) 0.0909(5) 0.0736(5) 0.070(2) Uani 1 1 d . . .
H58A H 0.1943 0.1027 0.0317 0.085 Uiso 1 1 calc R . .
H58B H 0.2264 0.0984 0.1103 0.085 Uiso 1 1 calc R . .
C59 C 0.1239(6) -0.0678(6) -0.0133(5) 0.074(3) Uani 1 1 d . . .
H59A H 0.1764 -0.0615 0.0162 0.088 Uiso 1 1 calc R . .
H59B H 0.1330 -0.0563 -0.0574 0.088 Uiso 1 1 calc R . .
C60 C 0.0531(8) -0.1640(7) -0.0469(6) 0.098(3) Uani 1 1 d . . .
H60A H 0.0414 -0.1747 -0.0030 0.118 Uiso 1 1 calc R . .
H60B H 0.0718 -0.2060 -0.0761 0.118 Uiso 1 1 calc R . .
C61 C 0.9553(9) 1.1247(9) 0.4873(10) 0.121(5) Uani 1 1 d . . .
H61A H 0.9631 1.1677 0.4674 0.145 Uiso 1 1 calc R . .
H61B H 0.8968 1.0980 0.4859 0.145 Uiso 1 1 calc R . .
C62 C 0.9075(6) 0.9933(9) 0.3548(7) 0.105(4) Uani 1 1 d . . .
H62A H 0.8525 0.9607 0.3584 0.126 Uiso 1 1 calc R . .
H62B H 0.9025 1.0306 0.3313 0.126 Uiso 1 1 calc R . .
C63 C 0.9303(9) 0.9278(11) 0.3029(7) 0.114(3) Uani 1 1 d . . .
H63A H 0.9886 0.9595 0.3055 0.136 Uiso 1 1 calc R . .
H63B H 0.8929 0.8978 0.2477 0.136 Uiso 1 1 calc R . .
C64 C 0.9215(7) 0.8569(7) 0.3303(7) 0.120(4) Uani 1 1 d . . .
H64A H 0.8655 0.8313 0.3348 0.145 Uiso 1 1 calc R . .
H64B H 0.9262 0.8081 0.2905 0.145 Uiso 1 1 calc R . .
C65 C 0.9872(9) 0.8310(8) 0.4334(9) 0.128(5) Uani 1 1 d . . .
H65A H 0.9298 0.7948 0.4305 0.154 Uiso 1 1 calc R . .
H65B H 1.0034 0.7907 0.3973 0.154 Uiso 1 1 calc R . .
O1 O 0.3359(3) 0.7628(3) 0.6442(3) 0.0609(15) Uani 1 1 d . . .
O2 O 0.2285(3) 0.6941(4) 0.6794(3) 0.0675(16) Uani 1 1 d . . .
O3 O 0.2061(3) 0.5592(4) 0.7488(4) 0.0749(17) Uani 1 1 d . . .
O4 O 0.2806(3) 0.4846(3) 0.7486(3) 0.0487(12) Uani 1 1 d . . .
O5 O 0.3685(3) 0.3977(3) 0.7726(3) 0.0479(12) Uani 1 1 d . . .
O6 O 0.3122(4) 0.2480(4) 0.7275(3) 0.0736(17) Uani 1 1 d . . .
O7 O 0.1987(3) 0.0893(3) 0.5458(3) 0.0653(15) Uani 1 1 d . . .
O8 O 0.1925(3) 0.1029(3) 0.4357(3) 0.0394(11) Uani 1 1 d . . .
O9 O 0.1032(3) 0.1806(3) 0.4002(3) 0.0380(11) Uani 1 1 d . . .
O10 O 0.0144(3) 0.2315(3) 0.3725(3) 0.0552(13) Uani 1 1 d . . .
O11 O 0.0293(3) 0.3507(4) 0.2922(3) 0.0591(14) Uani 1 1 d . . .
O12 O 0.1426(3) 0.4359(3) 0.2714(3) 0.0495(13) Uani 1 1 d . . .
O13 O 0.2729(3) 0.5678(4) 0.2515(3) 0.0610(15) Uani 1 1 d . . .
O14 O 0.2951(4) 0.7075(4) 0.3074(4) 0.0610(15) Uani 1 1 d . . .
O15 O 0.4244(3) 0.8619(3) 0.4731(3) 0.0596(14) Uani 1 1 d . . .
O16 O 0.4490(3) 0.8534(3) 0.5870(3) 0.0604(15) Uani 1 1 d . . .
O17 O 0.5106(3) 0.8731(3) 0.7399(3) 0.0471(12) Uani 1 1 d . . .
O18 O 0.6407(3) 0.9675(4) 0.8314(3) 0.0652(16) Uani 1 1 d . . .
O19 O 0.8202(3) 0.9979(3) 0.8126(3) 0.0532(13) Uani 1 1 d . . .
O20 O 0.8433(3) 0.9099(3) 0.7109(3) 0.0409(11) Uani 1 1 d . . .
O21 O 0.4397(3) 0.5798(3) 0.8510(2) 0.0438(12) Uani 1 1 d . . .
O22 O 0.5651(3) 0.6682(4) 0.9502(3) 0.0653(15) Uani 1 1 d . . .
O23 O 0.7415(3) 0.6797(4) 0.9472(3) 0.0780(18) Uani 1 1 d . . .
O24 O 0.7798(3) 0.6233(3) 0.8447(3) 0.0466(12) Uani 1 1 d . . .
O25 O 0.5000 0.5000 0.5000 0.107(3) Uani 1 2 d S . .
O26 O 0.9352(3) 0.3554(3) 0.4064(3) 0.0460(12) Uani 1 1 d . . .
O27 O 0.4370(5) -0.0515(5) 0.0818(4) 0.115(3) Uani 1 1 d . . .
O28 O 0.3507(5) 0.6429(5) 0.9562(4) 0.126(3) Uani 1 1 d . . .
O29 O 0.4794(5) 0.2208(6) 0.9337(5) 0.144(3) Uani 1 1 d . . .
O30 O 0.8862(7) 0.2173(7) 0.8054(8) 0.223(5) Uani 1 1 d . . .
O31 O 0.9662(5) 0.5352(6) 0.8148(5) 0.131(3) Uani 1 1 d . . .
O32 O 0.8696(5) 0.3408(6) 0.7564(5) 0.143(3) Uani 1 1 d . . .
O33 O 0.8621(5) 0.0859(4) 0.6451(4) 0.122(3) Uani 1 1 d . . .
O34 O 0.7572(5) 0.1630(5) 0.4245(5) 0.127(3) Uani 1 1 d . . .
O35 O 0.7358(5) 0.0351(5) 0.2744(4) 0.114(2) Uani 1 1 d . . .
O36 O 0.5744(5) 0.0205(5) 0.2211(5) 0.135(3) Uani 1 1 d . . .
O37 O 0.8752(4) 0.1184(5) 0.2261(4) 0.119(3) Uani 1 1 d . . .
O38 O 0.8759(5) 0.3340(6) 0.1952(4) 0.140(3) Uani 1 1 d . . .
O39 O 0.7863(9) 0.2772(8) 0.0393(7) 0.227(5) Uani 1 1 d . . .
O40 O 1.0293(6) 0.2574(6) 0.9145(5) 0.139(3) Uani 1 1 d . . .
O41 O 0.0970(5) 0.1607(8) 0.9265(5) 0.168(4) Uani 1 1 d . . .
O42 O 0.7357(4) 0.8232(4) 0.0735(4) 0.113(2) Uani 1 1 d . . .
O43 O 0.6671(5) 0.8442(5) 0.1967(4) 0.123(3) Uani 1 1 d . . .
O44 O 0.2239(6) 0.8485(5) 0.1094(5) 0.152(3) Uani 1 1 d . . .
O45 O 0.2148(6) 0.8237(5) 0.4238(5) 0.152(4) Uani 1 1 d . . .
O46 O 0.0973(5) 0.3947(5) 0.0628(4) 0.113(2) Uani 1 1 d . . .
O47 O 0.0084(4) 0.9726(6) 0.8221(5) 0.134(3) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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
_geom_angle_publ_flag
O16 Co1 N9 92.1(2) . . ?
O16 Co1 N8 81.5(2) . . ?
N9 Co1 N8 94.85(19) . . ?
O16 Co1 O17 90.8(2) . . ?
N9 Co1 O17 80.91(19) . . ?
N8 Co1 O17 171.0(2) . . ?
O16 Co1 N1 169.0(2) . . ?
N9 Co1 N1 98.6(2) . . ?
N8 Co1 N1 95.31(19) . . ?
O17 Co1 N1 93.1(2) . . ?
O16 Co1 O1 88.0(2) . . ?
N9 Co1 O1 171.4(2) . . ?
N8 Co1 O1 93.7(2) . . ?
O17 Co1 O1 90.5(2) . . ?
N1 Co1 O1 81.8(2) . . ?
N2 Co2 N11 93.4(2) . . ?
N2 Co2 O5 175.5(2) . . ?
N11 Co2 O5 91.1(2) . . ?
N2 Co2 O4 83.8(2) . . ?
N11 Co2 O4 170.9(2) . . ?
O5 Co2 O4 91.7(2) . . ?
N2 Co2 N3 95.6(2) . . ?
N11 Co2 N3 95.9(2) . . ?
O5 Co2 N3 83.7(2) . . ?
O4 Co2 N3 93.1(2) . . ?
N2 Co2 O21 91.4(2) . . ?
N11 Co2 O21 84.0(2) . . ?
O5 Co2 O21 89.3(2) . . ?
O4 Co2 O21 87.41(19) . . ?
N3 Co2 O21 173.0(2) . . ?
N5 Co3 N4 95.6(2) . . ?
N5 Co3 O8 173.16(19) . . ?
N4 Co3 O8 84.22(19) . . ?
N5 Co3 N10 93.2(2) . 2_666 ?
N4 Co3 N10 96.0(2) . 2_666 ?
O8 Co3 N10 93.58(19) . 2_666 ?
N5 Co3 O9 84.18(19) . . ?
N4 Co3 O9 91.23(19) . . ?
O8 Co3 O9 88.98(19) . . ?
N10 Co3 O9 172.56(19) 2_666 . ?
N5 Co3 O20 91.2(2) . 2_666 ?
N4 Co3 O20 173.24(19) . 2_666 ?
O8 Co3 O20 89.09(19) . 2_666 ?
N10 Co3 O20 83.45(19) 2_666 2_666 ?
O9 Co3 O20 89.61(18) . 2_666 ?
N7 Co4 N12 94.22(19) . 2_666 ?
N7 Co4 O24 168.64(19) . 2_666 ?
N12 Co4 O24 80.19(19) 2_666 2_666 ?
N7 Co4 N6 94.64(19) . . ?
N12 Co4 N6 97.51(19) 2_666 . ?
O24 Co4 N6 95.89(18) 2_666 . ?
N7 Co4 O12 95.98(19) . . ?
N12 Co4 O12 169.65(19) 2_666 . ?
O24 Co4 O12 90.06(18) 2_666 . ?
N6 Co4 O12 79.92(18) . . ?
N7 Co4 O13 80.2(2) . . ?
N12 Co4 O13 95.7(2) 2_666 . ?
O24 Co4 O13 90.5(2) 2_666 . ?
N6 Co4 O13 166.1(2) . . ?
O12 Co4 O13 87.75(19) . . ?
N14 Ni1 N14 180.000(2) . 2_676 ?
N14 Ni1 N13 93.5(4) . 2_676 ?
N14 Ni1 N13 86.5(4) 2_676 2_676 ?
N14 Ni1 N13 86.5(4) . . ?
N14 Ni1 N13 93.5(4) 2_676 . ?
N13 Ni1 N13 180.000(2) 2_676 . ?
N14 Ni1 O15 95.0(2) . 2_676 ?
N14 Ni1 O15 85.0(2) 2_676 2_676 ?
N13 Ni1 O15 86.1(3) 2_676 2_676 ?
N13 Ni1 O15 93.9(3) . 2_676 ?
N14 Ni1 O15 85.0(2) . . ?
N14 Ni1 O15 95.0(2) 2_676 . ?
N13 Ni1 O15 93.9(3) 2_676 . ?
N13 Ni1 O15 86.1(3) . . ?
O15 Ni1 O15 180.000(1) 2_676 . ?
N15 Ni2 N15 180.000(1) . 2_766 ?
N15 Ni2 N16 86.7(2) . 2_766 ?
N15 Ni2 N16 93.3(2) 2_766 2_766 ?
N15 Ni2 N16 93.3(2) . . ?
N15 Ni2 N16 86.7(2) 2_766 . ?
N16 Ni2 N16 180.000(1) 2_766 . ?
N15 Ni2 O26 90.91(19) . 2_766 ?
N15 Ni2 O26 89.09(19) 2_766 2_766 ?
N16 Ni2 O26 89.32(19) 2_766 2_766 ?
N16 Ni2 O26 90.68(19) . 2_766 ?
N15 Ni2 O26 89.09(19) . . ?
N15 Ni2 O26 90.91(19) 2_766 . ?
N16 Ni2 O26 90.68(19) 2_766 . ?
N16 Ni2 O26 89.32(19) . . ?
O26 Ni2 O26 180.000(1) 2_766 . ?
N18 Ni3 N18 180.0(9) . 2_655 ?
N18 Ni3 N17 87.1(4) . . ?
N18 Ni3 N17 92.9(4) 2_655 . ?
N18 Ni3 N17 92.9(4) . 2_655 ?
N18 Ni3 N17 87.1(4) 2_655 2_655 ?
N17 Ni3 N17 180.0(4) . 2_655 ?
N18 Ni3 O27 90.2(3) . 2_655 ?
N18 Ni3 O27 89.8(3) 2_655 2_655 ?
N17 Ni3 O27 83.6(3) . 2_655 ?
N17 Ni3 O27 96.4(3) 2_655 2_655 ?
N18 Ni3 O27 89.8(3) . . ?
N18 Ni3 O27 90.2(3) 2_655 . ?
N17 Ni3 O27 96.4(3) . . ?
N17 Ni3 O27 83.6(3) 2_655 . ?
O27 Ni3 O27 180.0(7) 2_655 . ?
N22 Ni4 N20 178.7(3) . . ?
N22 Ni4 N19 93.2(3) . . ?
N20 Ni4 N19 86.0(3) . . ?
N22 Ni4 N21 85.8(4) . . ?
N20 Ni4 N21 95.0(3) . . ?
N19 Ni4 N21 178.8(3) . . ?
N23 Ni5 N23 180.0(5) . 2 ?
N23 Ni5 N24 93.2(2) . 2 ?
N23 Ni5 N24 86.8(2) 2 2 ?
N23 Ni5 N24 86.8(2) . . ?
N23 Ni5 N24 93.2(2) 2 . ?
N24 Ni5 N24 180.0(4) 2 . ?
N25 Ni6 N25 180.000(2) 2_776 . ?
N25 Ni6 N26 93.0(3) 2_776 2_776 ?
N25 Ni6 N26 87.0(3) . 2_776 ?
N25 Ni6 N26 87.0(3) 2_776 . ?
N25 Ni6 N26 93.0(3) . . ?
N26 Ni6 N26 180.000(2) 2_776 . ?
C1 N1 C2 107.1(6) . . ?
C1 N1 Co1 141.2(5) . . ?
C2 N1 Co1 111.7(4) . . ?
C1 N2 C3 106.3(6) . . ?
C1 N2 Co2 140.4(4) . . ?
C3 N2 Co2 113.2(5) . . ?
C6 N3 C7 105.7(5) . . ?
C6 N3 Co2 141.1(4) . . ?
C7 N3 Co2 113.1(4) . . ?
C6 N4 C8 105.1(5) . . ?
C6 N4 Co3 142.5(4) . . ?
C8 N4 Co3 112.4(4) . . ?
C11 N5 C12 106.3(5) . . ?
C11 N5 Co3 140.4(4) . . ?
C12 N5 Co3 113.0(4) . . ?
C11 N6 C13 105.5(5) . . ?
C11 N6 Co4 142.2(4) . . ?
C13 N6 Co4 112.1(4) . . ?
C16 N7 C17 106.0(5) . . ?
C16 N7 Co4 142.6(4) . . ?
C17 N7 Co4 111.4(4) . . ?
C16 N8 C18 105.4(5) . . ?
C16 N8 Co1 142.2(4) . . ?
C18 N8 Co1 112.5(4) . . ?
C21 N9 C22 105.9(5) . . ?
C21 N9 Co1 140.6(4) . . ?
C22 N9 Co1 113.4(4) . . ?
C21 N10 C23 106.8(5) . . ?
C21 N10 Co3 140.1(4) . 2_666 ?
C23 N10 Co3 112.7(4) . 2_666 ?
C26 N11 C27 106.5(5) . . ?
C26 N11 Co2 140.5(4) . . ?
C27 N11 Co2 112.9(4) . . ?
C26 N12 C28 106.0(5) . . ?
C26 N12 Co4 140.8(4) . 2_666 ?
C28 N12 Co4 113.1(4) . 2_666 ?
C32 N13 C31 122.6(8) . . ?
C32 N13 Ni1 109.9(6) . . ?
C31 N13 Ni1 116.7(6) . . ?
C34 N14 C33 109.9(9) . . ?
C34 N14 Ni1 122.3(8) . . ?
C33 N14 Ni1 107.6(6) . . ?
C36 N15 C37 111.5(5) . . ?
C36 N15 Ni2 106.8(4) . . ?
C37 N15 Ni2 117.5(4) . . ?
C40 N16 C39 114.6(6) . . ?
C40 N16 Ni2 103.7(4) . . ?
C39 N16 Ni2 116.6(4) . . ?
C42 N17 C43 113.6(9) . . ?
C42 N17 Ni3 120.4(7) . . ?
C43 N17 Ni3 106.6(6) . . ?
C44 N18 C45 109.8(9) . . ?
C44 N18 Ni3 105.6(7) . . ?
C45 N18 Ni3 117.3(7) . . ?
C55 N19 C46 111.3(7) . . ?
C55 N19 Ni4 115.3(6) . . ?
C46 N19 Ni4 108.4(5) . . ?
C48 N20 C47 113.0(8) . . ?
C48 N20 Ni4 117.7(7) . . ?
C47 N20 Ni4 108.4(5) . . ?
C50 N21 C51 113.4(9) . . ?
C50 N21 Ni4 119.6(7) . . ?
C51 N21 Ni4 106.3(6) . . ?
C53 N22 C52 110.0(8) . . ?
C53 N22 Ni4 118.6(6) . . ?
C52 N22 Ni4 109.2(6) . . ?
C56 N23 C57 109.5(6) . . ?
C56 N23 Ni5 121.5(5) . . ?
C57 N23 Ni5 107.1(4) . . ?
C59 N24 C58 110.9(7) . . ?
C59 N24 Ni5 119.3(5) . . ?
C58 N24 Ni5 109.3(5) . . ?
C65 N25 C64 112.4(10) . . ?
C65 N25 Ni6 107.8(7) . . ?
C64 N25 Ni6 120.3(7) . . ?
C62 N26 C61 111.4(10) . . ?
C62 N26 Ni6 120.3(6) . . ?
C61 N26 Ni6 107.4(6) . . ?
N1 C1 N2 112.3(6) . . ?
N1 C2 C3 106.6(5) . . ?
N1 C2 C4 115.3(6) . . ?
C3 C2 C4 138.1(7) . . ?
N2 C3 C2 107.7(6) . . ?
N2 C3 C5 115.2(6) . . ?
C2 C3 C5 137.1(6) . . ?
O2 C4 O1 125.9(7) . . ?
O2 C4 C2 119.6(8) . . ?
O1 C4 C2 114.3(7) . . ?
O3 C5 O4 126.1(7) . . ?
O3 C5 C3 123.4(7) . . ?
O4 C5 C3 110.5(6) . . ?
N3 C6 N4 112.8(5) . . ?
C8 C7 N3 108.8(5) . . ?
C8 C7 C9 137.9(6) . . ?
N3 C7 C9 113.3(6) . . ?
C7 C8 N4 107.6(5) . . ?
C7 C8 C10 138.1(6) . . ?
N4 C8 C10 114.3(6) . . ?
O6 C9 O5 124.2(6) . . ?
O6 C9 C7 122.6(7) . . ?
O5 C9 C7 113.2(6) . . ?
O7 C10 O8 122.7(6) . . ?
O7 C10 C8 124.3(7) . . ?
O8 C10 C8 113.0(6) . . ?
N5 C11 N6 112.5(5) . . ?
N5 C12 C13 107.6(5) . . ?
N5 C12 C14 113.4(5) . . ?
C13 C12 C14 138.9(5) . . ?
N6 C13 C12 108.0(5) . . ?
N6 C13 C15 116.9(6) . . ?
C12 C13 C15 135.1(6) . . ?
O10 C14 O9 124.5(6) . . ?
O10 C14 C12 121.6(6) . . ?
O9 C14 C12 113.9(6) . . ?
O11 C15 O12 124.9(7) . . ?
O11 C15 C13 121.4(7) . . ?
O12 C15 C13 113.7(6) . . ?
N7 C16 N8 113.2(5) . . ?
N7 C17 C18 107.0(5) . . ?
N7 C17 C19 118.6(6) . . ?
C18 C17 C19 134.3(6) . . ?
N8 C18 C17 108.3(5) . . ?
N8 C18 C20 114.7(6) . . ?
C17 C18 C20 136.7(6) . . ?
O14 C19 O13 122.7(7) . . ?
O14 C19 C17 124.6(7) . . ?
O13 C19 C17 112.6(6) . . ?
O15 C20 O16 125.0(6) . . ?
O15 C20 C18 120.1(7) . . ?
O16 C20 C18 114.7(6) . . ?
N10 C21 N9 112.1(5) . . ?
N9 C22 C23 108.5(5) . . ?
N9 C22 C24 115.3(5) . . ?
C23 C22 C24 136.2(6) . . ?
N10 C23 C22 106.7(5) . . ?
N10 C23 C25 114.2(6) . . ?
C22 C23 C25 139.1(6) . . ?
O18 C24 O17 125.9(7) . . ?
O18 C24 C22 121.9(6) . . ?
O17 C24 C22 112.3(6) . . ?
O19 C25 O20 125.2(6) . . ?
O19 C25 C23 122.3(6) . . ?
O20 C25 C23 112.5(6) . . ?
N12 C26 N11 111.9(5) . . ?
N11 C27 C28 106.6(6) . . ?
N11 C27 C29 115.1(5) . . ?
C28 C27 C29 138.3(6) . . ?
N12 C28 C27 108.9(5) . . ?
N12 C28 C30 114.1(6) . . ?
C27 C28 C30 136.8(6) . . ?
O22 C29 O21 124.9(7) . . ?
O22 C29 C27 123.4(7) . . ?
O21 C29 C27 111.7(5) . . ?
O24 C30 O23 122.6(6) . . ?
O24 C30 C28 117.0(7) . . ?
O23 C30 C28 120.3(7) . . ?
C35 C31 N13 117.0(8) 2_676 . ?
N13 C32 C33 117.3(8) . . ?
C32 C33 N14 108.1(7) . . ?
N14 C34 C35 107.8(10) . . ?
C31 C35 C34 129.9(13) 2_676 . ?
N15 C36 C40 108.7(6) . 2_766 ?
N15 C37 C38 111.8(6) . . ?
C37 C38 C39 116.9(7) . . ?
N16 C39 C38 111.9(6) . . ?
N16 C40 C36 112.2(5) . 2_766 ?
C42 C41 C45 118.3(12) . 2_655 ?
N17 C42 C41 108.6(9) . . ?
N17 C43 C44 107.2(8) . . ?
N18 C44 C43 109.5(9) . . ?
N18 C45 C41 107.0(9) . 2_655 ?
C47 C46 N19 106.4(8) . . ?
C46 C47 N20 105.6(8) . . ?
C49 C48 N20 111.1(9) . . ?
C48 C49 C50 113.5(9) . . ?
N21 C50 C49 117.4(10) . . ?
C52 C51 N21 108.2(9) . . ?
C51 C52 N22 106.2(8) . . ?
N22 C53 C54 111.5(8) . . ?
C53 C54 C55 111.8(8) . . ?
N19 C55 C54 114.8(7) . . ?
N23 C56 C60 111.6(7) . 2 ?
N23 C57 C58 108.5(6) . . ?
N24 C58 C57 105.0(7) . . ?
N24 C59 C60 113.0(7) . . ?
C59 C60 C56 111.7(8) . 2 ?
C65 C61 N26 107.7(12) 2_776 . ?
C63 C62 N26 111.0(10) . . ?
C62 C63 C64 109.9(11) . . ?
N25 C64 C63 110.9(8) . . ?
C61 C65 N25 109.8(11) 2_776 . ?
C4 O1 Co1 116.9(4) . . ?
C5 O4 Co2 116.7(4) . . ?
C9 O5 Co2 116.5(4) . . ?
C10 O8 Co3 115.7(4) . . ?
C14 O9 Co3 115.1(4) . . ?
C15 O12 Co4 117.0(4) . . ?
C19 O13 Co4 116.5(4) . . ?
C20 O15 Ni1 135.7(5) . . ?
C20 O16 Co1 116.3(4) . . ?
C24 O17 Co1 118.0(4) . . ?
C25 O20 Co3 116.9(4) . 2_666 ?
C29 O21 Co2 116.3(4) . . ?
C30 O24 Co4 115.5(4) . 2_666 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O16 1.971(5) . ?
Co1 N9 1.981(5) . ?
Co1 N8 1.981(5) . ?
Co1 O17 1.983(5) . ?
Co1 N1 1.986(5) . ?
Co1 O1 1.988(5) . ?
Co2 N2 1.882(5) . ?
Co2 N11 1.887(5) . ?
Co2 O5 1.907(5) . ?
Co2 O4 1.912(4) . ?
Co2 N3 1.913(5) . ?
Co2 O21 1.922(4) . ?
Co3 N5 1.897(5) . ?
Co3 N4 1.909(5) . ?
Co3 O8 1.914(4) . ?
Co3 N10 1.916(5) 2_666 ?
Co3 O9 1.925(4) . ?
Co3 O20 1.926(4) 2_666 ?
Co4 N7 2.011(5) . ?
Co4 N12 2.020(5) 2_666 ?
Co4 O24 2.040(5) 2_666 ?
Co4 N6 2.044(4) . ?
Co4 O12 2.046(5) . ?
Co4 O13 2.052(5) . ?
Ni1 N14 2.044(6) . ?
Ni1 N14 2.044(6) 2_676 ?
Ni1 N13 2.056(7) 2_676 ?
Ni1 N13 2.056(7) . ?
Ni1 O15 2.147(4) 2_676 ?
Ni1 O15 2.147(4) . ?
Ni2 N15 2.026(5) . ?
Ni2 N15 2.026(5) 2_766 ?
Ni2 N16 2.071(5) 2_766 ?
Ni2 N16 2.071(5) . ?
Ni2 O26 2.219(4) 2_766 ?
Ni2 O26 2.219(4) . ?
Ni3 N18 2.004(9) . ?
Ni3 N18 2.004(9) 2_655 ?
Ni3 N17 2.028(8) . ?
Ni3 N17 2.028(8) 2_655 ?
Ni3 O27 2.342(8) 2_655 ?
Ni3 O27 2.342(8) . ?
Ni4 N22 1.943(7) . ?
Ni4 N20 1.944(7) . ?
Ni4 N19 1.946(7) . ?
Ni4 N21 1.968(8) . ?
Ni5 N23 1.920(5) . ?
Ni5 N23 1.920(5) 2 ?
Ni5 N24 1.946(6) 2 ?
Ni5 N24 1.946(6) . ?
Ni6 N25 1.914(8) 2_776 ?
Ni6 N25 1.914(8) . ?
Ni6 N26 1.922(7) 2_776 ?
Ni6 N26 1.922(7) . ?
N1 C1 1.314(7) . ?
N1 C2 1.381(8) . ?
N2 C1 1.345(8) . ?
N2 C3 1.364(7) . ?
N3 C6 1.312(7) . ?
N3 C7 1.365(7) . ?
N4 C6 1.340(7) . ?
N4 C8 1.374(7) . ?
N5 C11 1.316(7) . ?
N5 C12 1.366(7) . ?
N6 C11 1.339(7) . ?
N6 C13 1.364(7) . ?
N7 C16 1.316(7) . ?
N7 C17 1.373(7) . ?
N8 C16 1.347(7) . ?
N8 C18 1.351(7) . ?
N9 C21 1.332(7) . ?
N9 C22 1.359(7) . ?
N10 C21 1.322(7) . ?
N10 C23 1.369(7) . ?
N10 Co3 1.916(5) 2_666 ?
N11 C26 1.346(7) . ?
N11 C27 1.369(7) . ?
N12 C26 1.319(7) . ?
N12 C28 1.365(7) . ?
N12 Co4 2.020(5) 2_666 ?
N13 C32 1.383(10) . ?
N13 C31 1.448(10) . ?
N14 C34 1.327(14) . ?
N14 C33 1.595(12) . ?
N15 C36 1.465(8) . ?
N15 C37 1.491(9) . ?
N16 C40 1.461(9) . ?
N16 C39 1.465(10) . ?
N17 C42 1.417(11) . ?
N17 C43 1.486(10) . ?
N18 C44 1.453(11) . ?
N18 C45 1.483(12) . ?
N19 C55 1.467(10) . ?
N19 C46 1.492(10) . ?
N20 C48 1.481(11) . ?
N20 C47 1.497(11) . ?
N21 C50 1.397(13) . ?
N21 C51 1.467(11) . ?
N22 C53 1.458(11) . ?
N22 C52 1.505(11) . ?
N23 C56 1.417(10) . ?
N23 C57 1.485(9) . ?
N24 C59 1.450(9) . ?
N24 C58 1.463(9) . ?
N25 C65 1.463(12) . ?
N25 C64 1.485(12) . ?
N26 C62 1.488(12) . ?
N26 C61 1.492(13) . ?
C2 C3 1.398(9) . ?
C2 C4 1.487(9) . ?
C3 C5 1.489(10) . ?
C4 O2 1.235(8) . ?
C4 O1 1.265(9) . ?
C5 O3 1.203(8) . ?
C5 O4 1.317(8) . ?
C7 C8 1.354(8) . ?
C7 C9 1.498(8) . ?
C8 C10 1.484(8) . ?
C9 O6 1.242(8) . ?
C9 O5 1.292(8) . ?
C10 O7 1.219(8) . ?
C10 O8 1.304(8) . ?
C12 C13 1.373(8) . ?
C12 C14 1.494(8) . ?
C13 C15 1.489(9) . ?
C14 O10 1.233(7) . ?
C14 O9 1.287(8) . ?
C15 O11 1.243(8) . ?
C15 O12 1.285(8) . ?
C17 C18 1.397(9) . ?
C17 C19 1.458(9) . ?
C18 C20 1.481(9) . ?
C19 O14 1.205(8) . ?
C19 O13 1.288(8) . ?
C20 O15 1.264(8) . ?
C20 O16 1.266(8) . ?
C22 C23 1.377(8) . ?
C22 C24 1.503(9) . ?
C23 C25 1.501(8) . ?
C24 O18 1.205(8) . ?
C24 O17 1.287(7) . ?
C25 O19 1.217(7) . ?
C25 O20 1.284(7) . ?
C27 C28 1.373(8) . ?
C27 C29 1.484(9) . ?
C28 C30 1.486(9) . ?
C29 O22 1.196(7) . ?
C29 O21 1.307(7) . ?
C30 O24 1.247(8) . ?
C30 O23 1.256(8) . ?
C31 C35 1.431(12) 2_676 ?
C32 C33 1.522(13) . ?
C34 C35 1.449(17) . ?
C35 C31 1.431(12) 2_676 ?
C36 C40 1.500(10) 2_766 ?
C37 C38 1.493(10) . ?
C38 C39 1.525(11) . ?
C40 C36 1.500(10) 2_766 ?
C41 C42 1.478(14) . ?
C41 C45 1.515(14) 2_655 ?
C43 C44 1.535(13) . ?
C45 C41 1.515(14) 2_655 ?
C46 C47 1.482(12) . ?
C48 C49 1.465(13) . ?
C49 C50 1.481(14) . ?
C51 C52 1.459(13) . ?
C53 C54 1.489(12) . ?
C54 C55 1.498(12) . ?
C56 C60 1.526(12) 2 ?
C57 C58 1.495(11) . ?
C59 C60 1.513(12) . ?
C60 C56 1.526(12) 2 ?
C61 C65 1.414(15) 2_776 ?
C62 C63 1.476(16) . ?
C63 C64 1.535(15) . ?
C65 C61 1.414(15) 2_776 ?
O20 Co3 1.926(4) 2_666 ?
O24 Co4 2.040(5) 2_666 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O16 Co1 N1 C1 158.1(10) . . . . ?
N9 Co1 N1 C1 -9.9(7) . . . . ?
N8 Co1 N1 C1 85.8(7) . . . . ?
O17 Co1 N1 C1 -91.2(7) . . . . ?
O1 Co1 N1 C1 178.8(7) . . . . ?
O16 Co1 N1 C2 -20.9(13) . . . . ?
N9 Co1 N1 C2 171.0(4) . . . . ?
N8 Co1 N1 C2 -93.2(4) . . . . ?
O17 Co1 N1 C2 89.8(4) . . . . ?
O1 Co1 N1 C2 -0.3(4) . . . . ?
N11 Co2 N2 C1 10.5(7) . . . . ?
O5 Co2 N2 C1 -167(2) . . . . ?
O4 Co2 N2 C1 -178.3(7) . . . . ?
N3 Co2 N2 C1 -85.8(7) . . . . ?
O21 Co2 N2 C1 94.5(7) . . . . ?
N11 Co2 N2 C3 -168.9(4) . . . . ?
O5 Co2 N2 C3 14(3) . . . . ?
O4 Co2 N2 C3 2.4(4) . . . . ?
N3 Co2 N2 C3 94.9(4) . . . . ?
O21 Co2 N2 C3 -84.8(4) . . . . ?
N2 Co2 N3 C6 4.3(7) . . . . ?
N11 Co2 N3 C6 -89.7(7) . . . . ?
O5 Co2 N3 C6 179.8(7) . . . . ?
O4 Co2 N3 C6 88.4(7) . . . . ?
O21 Co2 N3 C6 -177.9(13) . . . . ?
N2 Co2 N3 C7 -172.2(4) . . . . ?
N11 Co2 N3 C7 93.8(4) . . . . ?
O5 Co2 N3 C7 3.3(4) . . . . ?
O4 Co2 N3 C7 -88.1(4) . . . . ?
O21 Co2 N3 C7 5.6(19) . . . . ?
N5 Co3 N4 C6 -5.9(7) . . . . ?
O8 Co3 N4 C6 -179.0(7) . . . . ?
N10 Co3 N4 C6 88.0(7) 2_666 . . . ?
O9 Co3 N4 C6 -90.2(6) . . . . ?
O20 Co3 N4 C6 172.7(14) 2_666 . . . ?
N5 Co3 N4 C8 172.3(4) . . . . ?
O8 Co3 N4 C8 -0.9(4) . . . . ?
N10 Co3 N4 C8 -93.9(4) 2_666 . . . ?
O9 Co3 N4 C8 88.0(4) . . . . ?
O20 Co3 N4 C8 -9.1(18) 2_666 . . . ?
N4 Co3 N5 C11 92.2(6) . . . . ?
O8 Co3 N5 C11 -180(73) . . . . ?
N10 Co3 N5 C11 -4.2(7) 2_666 . . . ?
O9 Co3 N5 C11 -177.2(7) . . . . ?
O20 Co3 N5 C11 -87.7(6) 2_666 . . . ?
N4 Co3 N5 C12 -95.6(4) . . . . ?
O8 Co3 N5 C12 -7.6(19) . . . . ?
N10 Co3 N5 C12 168.1(4) 2_666 . . . ?
O9 Co3 N5 C12 -4.9(4) . . . . ?
O20 Co3 N5 C12 84.6(4) 2_666 . . . ?
N7 Co4 N6 C11 -81.8(6) . . . . ?
N12 Co4 N6 C11 13.1(6) 2_666 . . . ?
O24 Co4 N6 C11 93.9(6) 2_666 . . . ?
O12 Co4 N6 C11 -177.1(6) . . . . ?
O13 Co4 N6 C11 -149.2(8) . . . . ?
N7 Co4 N6 C13 91.9(4) . . . . ?
N12 Co4 N6 C13 -173.2(4) 2_666 . . . ?
O24 Co4 N6 C13 -92.4(4) 2_666 . . . ?
O12 Co4 N6 C13 -3.4(4) . . . . ?
O13 Co4 N6 C13 24.5(10) . . . . ?
N12 Co4 N7 C16 -82.6(7) 2_666 . . . ?
O24 Co4 N7 C16 -142.6(9) 2_666 . . . ?
N6 Co4 N7 C16 15.3(7) . . . . ?
O12 Co4 N7 C16 95.6(7) . . . . ?
O13 Co4 N7 C16 -177.7(7) . . . . ?
N12 Co4 N7 C17 95.4(4) 2_666 . . . ?
O24 Co4 N7 C17 35.4(11) 2_666 . . . ?
N6 Co4 N7 C17 -166.7(4) . . . . ?
O12 Co4 N7 C17 -86.4(4) . . . . ?
O13 Co4 N7 C17 0.3(4) . . . . ?
O16 Co1 N8 C16 177.3(6) . . . . ?
N9 Co1 N8 C16 85.9(6) . . . . ?
O17 Co1 N8 C16 147.3(10) . . . . ?
N1 Co1 N8 C16 -13.2(6) . . . . ?
O1 Co1 N8 C16 -95.3(6) . . . . ?
O16 Co1 N8 C18 -3.5(4) . . . . ?
N9 Co1 N8 C18 -94.9(4) . . . . ?
O17 Co1 N8 C18 -33.5(13) . . . . ?
N1 Co1 N8 C18 166.0(4) . . . . ?
O1 Co1 N8 C18 83.9(4) . . . . ?
O16 Co1 N9 C21 -85.9(6) . . . . ?
N8 Co1 N9 C21 -4.3(6) . . . . ?
O17 Co1 N9 C21 -176.3(6) . . . . ?
N1 Co1 N9 C21 91.9(6) . . . . ?
O1 Co1 N9 C21 -176.2(12) . . . . ?
O16 Co1 N9 C22 89.7(4) . . . . ?
N8 Co1 N9 C22 171.3(4) . . . . ?
O17 Co1 N9 C22 -0.8(4) . . . . ?
N1 Co1 N9 C22 -92.6(4) . . . . ?
O1 Co1 N9 C22 -0.7(16) . . . . ?
N2 Co2 N11 C26 -85.7(6) . . . . ?
O5 Co2 N11 C26 94.1(6) . . . . ?
O4 Co2 N11 C26 -157.7(12) . . . . ?
N3 Co2 N11 C26 10.3(7) . . . . ?
O21 Co2 N11 C26 -176.7(7) . . . . ?
N2 Co2 N11 C27 91.0(4) . . . . ?
O5 Co2 N11 C27 -89.2(4) . . . . ?
O4 Co2 N11 C27 19.1(16) . . . . ?
N3 Co2 N11 C27 -173.0(4) . . . . ?
O21 Co2 N11 C27 0.0(4) . . . . ?
N14 Ni1 N13 C32 -8.4(6) . . . . ?
N14 Ni1 N13 C32 171.6(6) 2_676 . . . ?
N13 Ni1 N13 C32 172(100) 2_676 . . . ?
O15 Ni1 N13 C32 -103.1(6) 2_676 . . . ?
O15 Ni1 N13 C32 76.9(6) . . . . ?
N14 Ni1 N13 C31 -153.6(7) . . . . ?
N14 Ni1 N13 C31 26.4(7) 2_676 . . . ?
N13 Ni1 N13 C31 27(100) 2_676 . . . ?
O15 Ni1 N13 C31 111.6(6) 2_676 . . . ?
O15 Ni1 N13 C31 -68.4(6) . . . . ?
N14 Ni1 N14 C34 -124(100) 2_676 . . . ?
N13 Ni1 N14 C34 40.3(10) 2_676 . . . ?
N13 Ni1 N14 C34 -139.7(10) . . . . ?
O15 Ni1 N14 C34 -46.1(10) 2_676 . . . ?
O15 Ni1 N14 C34 133.9(10) . . . . ?
N14 Ni1 N14 C33 5(100) 2_676 . . . ?
N13 Ni1 N14 C33 168.9(5) 2_676 . . . ?
N13 Ni1 N14 C33 -11.1(5) . . . . ?
O15 Ni1 N14 C33 82.5(5) 2_676 . . . ?
O15 Ni1 N14 C33 -97.5(5) . . . . ?
N15 Ni2 N15 C36 -166(100) 2_766 . . . ?
N16 Ni2 N15 C36 165.8(4) . . . . ?
N16 Ni2 N15 C36 -14.2(4) 2_766 . . . ?
O26 Ni2 N15 C36 75.0(4) 2_766 . . . ?
O26 Ni2 N15 C36 -105.0(4) . . . . ?
N15 Ni2 N15 C37 68(100) 2_766 . . . ?
N16 Ni2 N15 C37 39.8(5) . . . . ?
N16 Ni2 N15 C37 -140.2(5) 2_766 . . . ?
O26 Ni2 N15 C37 -51.0(5) 2_766 . . . ?
O26 Ni2 N15 C37 129.0(5) . . . . ?
N15 Ni2 N16 C40 -167.0(4) . . . . ?
N15 Ni2 N16 C40 13.0(4) 2_766 . . . ?
N16 Ni2 N16 C40 82(100) 2_766 . . . ?
O26 Ni2 N16 C40 -76.1(4) 2_766 . . . ?
O26 Ni2 N16 C40 103.9(4) . . . . ?
N15 Ni2 N16 C39 -40.1(5) . . . . ?
N15 Ni2 N16 C39 139.9(5) 2_766 . . . ?
N16 Ni2 N16 C39 -151(100) 2_766 . . . ?
O26 Ni2 N16 C39 50.9(5) 2_766 . . . ?
O26 Ni2 N16 C39 -129.1(5) . . . . ?
N18 Ni3 N17 C42 -142.3(8) . . . . ?
N18 Ni3 N17 C42 37.7(8) 2_655 . . . ?
N17 Ni3 N17 C42 -12(97) 2_655 . . . ?
O27 Ni3 N17 C42 127.1(8) 2_655 . . . ?
O27 Ni3 N17 C42 -52.9(8) . . . . ?
N18 Ni3 N17 C43 -11.2(7) . . . . ?
N18 Ni3 N17 C43 168.8(7) 2_655 . . . ?
N17 Ni3 N17 C43 119(97) 2_655 . . . ?
O27 Ni3 N17 C43 -101.7(6) 2_655 . . . ?
O27 Ni3 N17 C43 78.3(6) . . . . ?
N18 Ni3 N18 C44 175(100) 2_655 . . . ?
N17 Ni3 N18 C44 -18.0(7) . . . . ?
N17 Ni3 N18 C44 162.0(7) 2_655 . . . ?
O27 Ni3 N18 C44 65.5(7) 2_655 . . . ?
O27 Ni3 N18 C44 -114.5(7) . . . . ?
N18 Ni3 N18 C45 53(100) 2_655 . . . ?
N17 Ni3 N18 C45 -140.7(8) . . . . ?
N17 Ni3 N18 C45 39.3(8) 2_655 . . . ?
O27 Ni3 N18 C45 -57.1(8) 2_655 . . . ?
O27 Ni3 N18 C45 122.9(8) . . . . ?
N22 Ni4 N19 C55 41.6(6) . . . . ?
N20 Ni4 N19 C55 -139.4(7) . . . . ?
N21 Ni4 N19 C55 4(15) . . . . ?
N22 Ni4 N19 C46 167.0(6) . . . . ?
N20 Ni4 N19 C46 -14.0(6) . . . . ?
N21 Ni4 N19 C46 130(15) . . . . ?
N22 Ni4 N20 C48 -94(16) . . . . ?
N19 Ni4 N20 C48 -145.6(7) . . . . ?
N21 Ni4 N20 C48 35.1(7) . . . . ?
N22 Ni4 N20 C47 36(16) . . . . ?
N19 Ni4 N20 C47 -15.9(7) . . . . ?
N21 Ni4 N20 C47 164.8(7) . . . . ?
N22 Ni4 N21 C50 150.1(8) . . . . ?
N20 Ni4 N21 C50 -28.9(9) . . . . ?
N19 Ni4 N21 C50 -173(100) . . . . ?
N22 Ni4 N21 C51 20.1(7) . . . . ?
N20 Ni4 N21 C51 -158.8(7) . . . . ?
N19 Ni4 N21 C51 57(15) . . . . ?
N20 Ni4 N22 C53 -95(16) . . . . ?
N19 Ni4 N22 C53 -43.8(7) . . . . ?
N21 Ni4 N22 C53 135.4(7) . . . . ?
N20 Ni4 N22 C52 138(16) . . . . ?
N19 Ni4 N22 C52 -170.9(6) . . . . ?
N21 Ni4 N22 C52 8.4(6) . . . . ?
N23 Ni5 N23 C56 -142(100) 2 . . . ?
N24 Ni5 N23 C56 38.6(7) 2 . . . ?
N24 Ni5 N23 C56 -141.4(7) . . . . ?
N23 Ni5 N23 C57 -15(100) 2 . . . ?
N24 Ni5 N23 C57 165.4(5) 2 . . . ?
N24 Ni5 N23 C57 -14.6(5) . . . . ?
N23 Ni5 N24 C59 -143.5(6) . . . . ?
N23 Ni5 N24 C59 36.5(6) 2 . . . ?
N24 Ni5 N24 C59 20(100) 2 . . . ?
N23 Ni5 N24 C58 -14.5(5) . . . . ?
N23 Ni5 N24 C58 165.5(5) 2 . . . ?
N24 Ni5 N24 C58 149(100) 2 . . . ?
N25 Ni6 N25 C65 -15(100) 2_776 . . . ?
N26 Ni6 N25 C65 -167.9(7) . . . . ?
N26 Ni6 N25 C65 12.1(7) 2_776 . . . ?
N25 Ni6 N25 C64 115(100) 2_776 . . . ?
N26 Ni6 N25 C64 -37.3(7) . . . . ?
N26 Ni6 N25 C64 142.7(7) 2_776 . . . ?
N25 Ni6 N26 C62 -142.5(8) 2_776 . . . ?
N25 Ni6 N26 C62 37.5(8) . . . . ?
N26 Ni6 N26 C62 73(100) 2_776 . . . ?
N25 Ni6 N26 C61 -13.8(7) 2_776 . . . ?
N25 Ni6 N26 C61 166.2(7) . . . . ?
N26 Ni6 N26 C61 -158(100) 2_776 . . . ?
C2 N1 C1 N2 0.0(7) . . . . ?
Co1 N1 C1 N2 -179.1(5) . . . . ?
C3 N2 C1 N1 -0.2(7) . . . . ?
Co2 N2 C1 N1 -179.6(5) . . . . ?
C1 N1 C2 C3 0.3(7) . . . . ?
Co1 N1 C2 C3 179.6(4) . . . . ?
C1 N1 C2 C4 -179.5(5) . . . . ?
Co1 N1 C2 C4 -0.2(6) . . . . ?
C1 N2 C3 C2 0.4(7) . . . . ?
Co2 N2 C3 C2 179.9(4) . . . . ?
C1 N2 C3 C5 -178.3(5) . . . . ?
Co2 N2 C3 C5 1.3(7) . . . . ?
N1 C2 C3 N2 -0.4(7) . . . . ?
C4 C2 C3 N2 179.3(7) . . . . ?
N1 C2 C3 C5 177.8(7) . . . . ?
C4 C2 C3 C5 -2.5(14) . . . . ?
N1 C2 C4 O2 177.2(6) . . . . ?
C3 C2 C4 O2 -2.5(12) . . . . ?
N1 C2 C4 O1 0.8(8) . . . . ?
C3 C2 C4 O1 -178.9(7) . . . . ?
N2 C3 C5 O3 173.6(6) . . . . ?
C2 C3 C5 O3 -4.5(12) . . . . ?
N2 C3 C5 O4 -6.1(8) . . . . ?
C2 C3 C5 O4 175.8(7) . . . . ?
C7 N3 C6 N4 -1.2(7) . . . . ?
Co2 N3 C6 N4 -177.9(5) . . . . ?
C8 N4 C6 N3 1.9(6) . . . . ?
Co3 N4 C6 N3 -179.9(5) . . . . ?
C6 N3 C7 C8 0.0(7) . . . . ?
Co2 N3 C7 C8 177.7(4) . . . . ?
C6 N3 C7 C9 178.1(5) . . . . ?
Co2 N3 C7 C9 -4.2(6) . . . . ?
N3 C7 C8 N4 1.1(7) . . . . ?
C9 C7 C8 N4 -176.2(7) . . . . ?
N3 C7 C8 C10 -176.3(7) . . . . ?
C9 C7 C8 C10 6.3(14) . . . . ?
C6 N4 C8 C7 -1.8(6) . . . . ?
Co3 N4 C8 C7 179.4(4) . . . . ?
C6 N4 C8 C10 176.3(5) . . . . ?
Co3 N4 C8 C10 -2.5(6) . . . . ?
C8 C7 C9 O6 -0.7(13) . . . . ?
N3 C7 C9 O6 -178.0(6) . . . . ?
C8 C7 C9 O5 -179.8(7) . . . . ?
N3 C7 C9 O5 2.9(8) . . . . ?
C7 C8 C10 O7 5.2(12) . . . . ?
N4 C8 C10 O7 -172.1(6) . . . . ?
C7 C8 C10 O8 -176.5(7) . . . . ?
N4 C8 C10 O8 6.2(7) . . . . ?
C12 N5 C11 N6 2.7(6) . . . . ?
Co3 N5 C11 N6 175.3(4) . . . . ?
C13 N6 C11 N5 -2.5(6) . . . . ?
Co4 N6 C11 N5 171.5(4) . . . . ?
C11 N5 C12 C13 -1.7(6) . . . . ?
Co3 N5 C12 C13 -176.6(4) . . . . ?
C11 N5 C12 C14 -179.1(5) . . . . ?
Co3 N5 C12 C14 6.0(6) . . . . ?
C11 N6 C13 C12 1.3(6) . . . . ?
Co4 N6 C13 C12 -174.7(4) . . . . ?
C11 N6 C13 C15 -178.5(5) . . . . ?
Co4 N6 C13 C15 5.4(6) . . . . ?
N5 C12 C13 N6 0.3(6) . . . . ?
C14 C12 C13 N6 176.6(7) . . . . ?
N5 C12 C13 C15 -180.0(6) . . . . ?
C14 C12 C13 C15 -3.6(13) . . . . ?
N5 C12 C14 O10 175.6(6) . . . . ?
C13 C12 C14 O10 -0.6(12) . . . . ?
N5 C12 C14 O9 -3.8(7) . . . . ?
C13 C12 C14 O9 179.9(7) . . . . ?
N6 C13 C15 O11 176.4(6) . . . . ?
C12 C13 C15 O11 -3.4(11) . . . . ?
N6 C13 C15 O12 -5.0(8) . . . . ?
C12 C13 C15 O12 175.3(6) . . . . ?
C17 N7 C16 N8 0.7(7) . . . . ?
Co4 N7 C16 N8 178.7(4) . . . . ?
C18 N8 C16 N7 -1.4(7) . . . . ?
Co1 N8 C16 N7 177.9(4) . . . . ?
C16 N7 C17 C18 0.2(7) . . . . ?
Co4 N7 C17 C18 -178.5(4) . . . . ?
C16 N7 C17 C19 -176.6(6) . . . . ?
Co4 N7 C17 C19 4.7(7) . . . . ?
C16 N8 C18 C17 1.5(7) . . . . ?
Co1 N8 C18 C17 -178.0(4) . . . . ?
C16 N8 C18 C20 -173.9(5) . . . . ?
Co1 N8 C18 C20 6.6(7) . . . . ?
N7 C17 C18 N8 -1.1(7) . . . . ?
C19 C17 C18 N8 175.0(7) . . . . ?
N7 C17 C18 C20 172.7(7) . . . . ?
C19 C17 C18 C20 -11.1(14) . . . . ?
N7 C17 C19 O14 166.5(7) . . . . ?
C18 C17 C19 O14 -9.3(14) . . . . ?
N7 C17 C19 O13 -9.5(9) . . . . ?
C18 C17 C19 O13 174.7(7) . . . . ?
N8 C18 C20 O15 168.5(6) . . . . ?
C17 C18 C20 O15 -5.1(12) . . . . ?
N8 C18 C20 O16 -7.4(9) . . . . ?
C17 C18 C20 O16 179.0(7) . . . . ?
C23 N10 C21 N9 0.8(6) . . . . ?
Co3 N10 C21 N9 173.6(4) 2_666 . . . ?
C22 N9 C21 N10 -0.3(6) . . . . ?
Co1 N9 C21 N10 175.5(4) . . . . ?
C21 N9 C22 C23 -0.3(6) . . . . ?
Co1 N9 C22 C23 -177.4(4) . . . . ?
C21 N9 C22 C24 179.4(5) . . . . ?
Co1 N9 C22 C24 2.3(6) . . . . ?
C21 N10 C23 C22 -1.0(6) . . . . ?
Co3 N10 C23 C22 -176.0(4) 2_666 . . . ?
C21 N10 C23 C25 178.7(5) . . . . ?
Co3 N10 C23 C25 3.7(6) 2_666 . . . ?
N9 C22 C23 N10 0.8(6) . . . . ?
C24 C22 C23 N10 -178.9(6) . . . . ?
N9 C22 C23 C25 -178.8(6) . . . . ?
C24 C22 C23 C25 1.6(13) . . . . ?
N9 C22 C24 O18 176.6(6) . . . . ?
C23 C22 C24 O18 -3.7(11) . . . . ?
N9 C22 C24 O17 -3.3(7) . . . . ?
C23 C22 C24 O17 176.4(7) . . . . ?
N10 C23 C25 O19 174.5(6) . . . . ?
C22 C23 C25 O19 -6.0(11) . . . . ?
N10 C23 C25 O20 -4.7(7) . . . . ?
C22 C23 C25 O20 174.8(7) . . . . ?
C28 N12 C26 N11 1.7(6) . . . . ?
Co4 N12 C26 N11 177.9(4) 2_666 . . . ?
C27 N11 C26 N12 -0.3(6) . . . . ?
Co2 N11 C26 N12 176.5(5) . . . . ?
C26 N11 C27 C28 -1.2(6) . . . . ?
Co2 N11 C27 C28 -179.0(4) . . . . ?
C26 N11 C27 C29 179.1(5) . . . . ?
Co2 N11 C27 C29 1.3(6) . . . . ?
C26 N12 C28 C27 -2.5(6) . . . . ?
Co4 N12 C28 C27 -179.8(4) 2_666 . . . ?
C26 N12 C28 C30 173.8(5) . . . . ?
Co4 N12 C28 C30 -3.6(6) 2_666 . . . ?
N11 C27 C28 N12 2.3(6) . . . . ?
C29 C27 C28 N12 -178.1(7) . . . . ?
N11 C27 C28 C30 -172.7(7) . . . . ?
C29 C27 C28 C30 6.9(13) . . . . ?
N11 C27 C29 O22 176.9(6) . . . . ?
C28 C27 C29 O22 -2.7(13) . . . . ?
N11 C27 C29 O21 -2.4(8) . . . . ?
C28 C27 C29 O21 178.1(7) . . . . ?
N12 C28 C30 O24 4.3(8) . . . . ?
C27 C28 C30 O24 179.1(7) . . . . ?
N12 C28 C30 O23 -172.8(6) . . . . ?
C27 C28 C30 O23 2.0(12) . . . . ?
C32 N13 C31 C35 -174.0(11) . . . 2_676 ?
Ni1 N13 C31 C35 -33.4(12) . . . 2_676 ?
C31 N13 C32 C33 171.3(8) . . . . ?
Ni1 N13 C32 C33 28.4(10) . . . . ?
N13 C32 C33 N14 -37.7(11) . . . . ?
C34 N14 C33 C32 162.3(8) . . . . ?
Ni1 N14 C33 C32 26.9(8) . . . . ?
C33 N14 C34 C35 179.4(10) . . . . ?
Ni1 N14 C34 C35 -53.0(13) . . . . ?
N14 C34 C35 C31 60.5(18) . . . 2_676 ?
C37 N15 C36 C40 167.9(6) . . . 2_766 ?
Ni2 N15 C36 C40 38.4(6) . . . 2_766 ?
C36 N15 C37 C38 -179.6(6) . . . . ?
Ni2 N15 C37 C38 -56.0(7) . . . . ?
N15 C37 C38 C39 68.1(9) . . . . ?
C40 N16 C39 C38 177.1(6) . . . . ?
Ni2 N16 C39 C38 55.7(7) . . . . ?
C37 C38 C39 N16 -68.8(9) . . . . ?
C39 N16 C40 C36 -166.8(6) . . . 2_766 ?
Ni2 N16 C40 C36 -38.7(7) . . . 2_766 ?
C43 N17 C42 C41 178.9(9) . . . . ?
Ni3 N17 C42 C41 -53.1(12) . . . . ?
C45 C41 C42 N17 71.8(14) 2_655 . . . ?
C42 N17 C43 C44 171.5(9) . . . . ?
Ni3 N17 C43 C44 36.6(9) . . . . ?
C45 N18 C44 C43 170.9(9) . . . . ?
Ni3 N18 C44 C43 43.6(10) . . . . ?
N17 C43 C44 N18 -55.1(11) . . . . ?
C44 N18 C45 C41 -177.7(10) . . . 2_655 ?
Ni3 N18 C45 C41 -57.3(12) . . . 2_655 ?
C55 N19 C46 C47 169.0(8) . . . . ?
Ni4 N19 C46 C47 41.2(9) . . . . ?
N19 C46 C47 N20 -54.2(10) . . . . ?
C48 N20 C47 C46 174.7(8) . . . . ?
Ni4 N20 C47 C46 42.4(9) . . . . ?
C47 N20 C48 C49 174.7(9) . . . . ?
Ni4 N20 C48 C49 -57.8(11) . . . . ?
N20 C48 C49 C50 68.8(13) . . . . ?
C51 N21 C50 C49 172.1(9) . . . . ?
Ni4 N21 C50 C49 45.4(13) . . . . ?
C48 C49 C50 N21 -64.0(14) . . . . ?
C50 N21 C51 C52 -179.4(8) . . . . ?
Ni4 N21 C51 C52 -45.9(9) . . . . ?
N21 C51 C52 N22 53.4(10) . . . . ?
C53 N22 C52 C51 -167.1(8) . . . . ?
Ni4 N22 C52 C51 -35.3(9) . . . . ?
C52 N22 C53 C54 -173.7(7) . . . . ?
Ni4 N22 C53 C54 59.7(9) . . . . ?
N22 C53 C54 C55 -65.7(10) . . . . ?
C46 N19 C55 C54 177.2(8) . . . . ?
Ni4 N19 C55 C54 -58.8(9) . . . . ?
C53 C54 C55 N19 67.5(11) . . . . ?
C57 N23 C56 C60 177.4(7) . . . 2 ?
Ni5 N23 C56 C60 -56.9(10) . . . 2 ?
C56 N23 C57 C58 174.4(7) . . . . ?
Ni5 N23 C57 C58 40.8(7) . . . . ?
C59 N24 C58 C57 172.8(6) . . . . ?
Ni5 N24 C58 C57 39.4(7) . . . . ?
N23 C57 C58 N24 -52.6(8) . . . . ?
C58 N24 C59 C60 176.9(7) . . . . ?
Ni5 N24 C59 C60 -54.9(9) . . . . ?
N24 C59 C60 C56 65.9(10) . . . 2 ?
C62 N26 C61 C65 171.6(9) . . . 2_776 ?
Ni6 N26 C61 C65 38.0(11) . . . 2_776 ?
C61 N26 C62 C63 174.6(9) . . . . ?
Ni6 N26 C62 C63 -58.6(11) . . . . ?
N26 C62 C63 C64 70.0(12) . . . . ?
C65 N25 C64 C63 -174.7(11) . . . . ?
Ni6 N25 C64 C63 56.8(12) . . . . ?
C62 C63 C64 N25 -69.5(13) . . . . ?
C64 N25 C65 C61 -172.5(11) . . . 2_776 ?
Ni6 N25 C65 C61 -37.6(13) . . . 2_776 ?
O2 C4 O1 Co1 -177.2(6) . . . . ?
C2 C4 O1 Co1 -1.0(8) . . . . ?
O16 Co1 O1 C4 176.9(5) . . . . ?
N9 Co1 O1 C4 -92.4(15) . . . . ?
N8 Co1 O1 C4 95.6(5) . . . . ?
O17 Co1 O1 C4 -92.3(5) . . . . ?
N1 Co1 O1 C4 0.8(5) . . . . ?
O3 C5 O4 Co2 -171.6(6) . . . . ?
C3 C5 O4 Co2 8.2(7) . . . . ?
N2 Co2 O4 C5 -6.3(4) . . . . ?
N11 Co2 O4 C5 66.3(15) . . . . ?
O5 Co2 O4 C5 174.6(4) . . . . ?
N3 Co2 O4 C5 -101.7(5) . . . . ?
O21 Co2 O4 C5 85.3(5) . . . . ?
O6 C9 O5 Co2 -179.2(6) . . . . ?
C7 C9 O5 Co2 -0.2(7) . . . . ?
N2 Co2 O5 C9 80(3) . . . . ?
N11 Co2 O5 C9 -97.5(5) . . . . ?
O4 Co2 O5 C9 91.2(5) . . . . ?
N3 Co2 O5 C9 -1.7(5) . . . . ?
O21 Co2 O5 C9 178.6(5) . . . . ?
O7 C10 O8 Co3 171.4(5) . . . . ?
C8 C10 O8 Co3 -6.9(7) . . . . ?
N5 Co3 O8 C10 -84.1(17) . . . . ?
N4 Co3 O8 C10 4.6(4) . . . . ?
N10 Co3 O8 C10 100.3(4) 2_666 . . . ?
O9 Co3 O8 C10 -86.7(4) . . . . ?
O20 Co3 O8 C10 -176.4(4) 2_666 . . . ?
O10 C14 O9 Co3 -179.7(5) . . . . ?
C12 C14 O9 Co3 -0.2(6) . . . . ?
N5 Co3 O9 C14 2.8(4) . . . . ?
N4 Co3 O9 C14 98.3(4) . . . . ?
O8 Co3 O9 C14 -177.5(4) . . . . ?
N10 Co3 O9 C14 -67.2(16) 2_666 . . . ?
O20 Co3 O9 C14 -88.4(4) 2_666 . . . ?
O11 C15 O12 Co4 -179.6(5) . . . . ?
C13 C15 O12 Co4 1.9(7) . . . . ?
N7 Co4 O12 C15 -92.9(5) . . . . ?
N12 Co4 O12 C15 77.2(12) 2_666 . . . ?
O24 Co4 O12 C15 96.7(5) 2_666 . . . ?
N6 Co4 O12 C15 0.7(5) . . . . ?
O13 Co4 O12 C15 -172.8(5) . . . . ?
O14 C19 O13 Co4 -166.6(7) . . . . ?
C17 C19 O13 Co4 9.4(8) . . . . ?
N7 Co4 O13 C19 -5.8(5) . . . . ?
N12 Co4 O13 C19 -99.1(5) 2_666 . . . ?
O24 Co4 O13 C19 -179.3(5) 2_666 . . . ?
N6 Co4 O13 C19 63.3(10) . . . . ?
O12 Co4 O13 C19 90.7(5) . . . . ?
O16 C20 O15 Ni1 14.1(12) . . . . ?
C18 C20 O15 Ni1 -161.4(5) . . . . ?
N14 Ni1 O15 C20 -122.4(7) . . . . ?
N14 Ni1 O15 C20 57.6(7) 2_676 . . . ?
N13 Ni1 O15 C20 -29.2(7) 2_676 . . . ?
N13 Ni1 O15 C20 150.8(7) . . . . ?
O15 Ni1 O15 C20 5(100) 2_676 . . . ?
O15 C20 O16 Co1 -171.2(5) . . . . ?
C18 C20 O16 Co1 4.4(8) . . . . ?
N9 Co1 O16 C20 93.9(5) . . . . ?
N8 Co1 O16 C20 -0.7(5) . . . . ?
O17 Co1 O16 C20 174.8(5) . . . . ?
N1 Co1 O16 C20 -74.3(13) . . . . ?
O1 Co1 O16 C20 -94.7(5) . . . . ?
O18 C24 O17 Co1 -177.2(5) . . . . ?
C22 C24 O17 Co1 2.7(7) . . . . ?
O16 Co1 O17 C24 -93.3(5) . . . . ?
N9 Co1 O17 C24 -1.2(4) . . . . ?
N8 Co1 O17 C24 -63.5(13) . . . . ?
N1 Co1 O17 C24 97.0(5) . . . . ?
O1 Co1 O17 C24 178.8(5) . . . . ?
O19 C25 O20 Co3 -175.7(5) . . . 2_666 ?
C23 C25 O20 Co3 3.5(6) . . . 2_666 ?
O22 C29 O21 Co2 -176.9(6) . . . . ?
C27 C29 O21 Co2 2.4(7) . . . . ?
N2 Co2 O21 C29 -94.7(5) . . . . ?
N11 Co2 O21 C29 -1.4(5) . . . . ?
O5 Co2 O21 C29 89.8(5) . . . . ?
O4 Co2 O21 C29 -178.5(5) . . . . ?
N3 Co2 O21 C29 87.5(17) . . . . ?
O23 C30 O24 Co4 174.2(6) . . . 2_666 ?
C28 C30 O24 Co4 -2.8(8) . . . 2_666 ?
