#------------------------------------------------------------------------------
#$Date: 2018-08-12 05:38:26 +0300 (Sun, 12 Aug 2018) $
#$Revision: 209612 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/25/7002526.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_7002526
loop_
_publ_author_name
'Khamker, Qudsia'
'Champouret, Yohan D. M.'
'Singh, Kuldip'
'Solan, Gregory A.'
_publ_section_title
;
 Bis(imino)quaterpyridine-bearing multimetallic late transition metal
 complexes as ethylene oligomerisation catalysts
;
_journal_coden_ASTM              DTARAF
_journal_issue                   41
_journal_name_full               'Dalton Transactions'
_journal_page_first              8935
_journal_page_last               8944
_journal_paper_doi               10.1039/b910181k
_journal_year                    2009
_chemical_formula_moiety         '2(C56 H67 Cl3 Co4 N14)(Co Cl4)24(C H3 C N)'
_chemical_formula_sum            'C160 H206 Cl10 Co5 N38'
_chemical_formula_weight         3310.78
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 116.399(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.280(5)
_cell_length_b                   31.251(9)
_cell_length_c                   16.942(5)
_cell_measurement_reflns_used    783
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.066
_cell_measurement_theta_min      2.403
_cell_volume                     7721(4)
_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      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex 2000 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  0.1860
_diffrn_reflns_av_sigmaI/netI    0.2769
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            59445
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    0.765
_exptl_absorpt_correction_T_max  0.9071
_exptl_absorpt_correction_T_min  0.7809
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
absorption correction based on 6201 reflections(SADABS);Rint 0.1148 before
correction and 0.0652 after.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3474
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.881
_refine_diff_density_min         -0.505
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.834
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     673
_refine_ls_number_reflns         15166
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.834
_refine_ls_R_factor_all          0.2110
_refine_ls_R_factor_gt           0.0933
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1031P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2139
_refine_ls_wR_factor_ref         0.2462
_reflns_number_gt                5136
_reflns_number_total             15166
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B910181K.txt
_cod_data_source_block           08086
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      P2(1)/c
_cod_database_code               7002526
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.27243(7) 0.56458(3) 0.39193(7) 0.0321(3) Uani 1 1 d . . .
Co2 Co 0.18758(7) 0.56934(4) 0.57382(7) 0.0400(3) Uani 1 1 d . . .
Cl1 Cl 0.28787(14) 0.51134(6) 0.30174(13) 0.0424(5) Uani 1 1 d . . .
Cl2 Cl 0.24977(14) 0.60956(6) 0.50274(13) 0.0436(6) Uani 1 1 d . . .
Cl3 Cl 0.25932(14) 0.52330(7) 0.68495(13) 0.0483(6) Uani 1 1 d . . .
N1 N 0.2919(5) 0.6257(2) 0.3324(4) 0.0397(17) Uani 1 1 d . . .
N2 N 0.4054(4) 0.57970(18) 0.4641(4) 0.0299(15) Uani 1 1 d . . .
N3 N 0.3215(4) 0.51794(18) 0.4986(4) 0.0326(15) Uani 1 1 d . . .
N4 N 0.1304(4) 0.5189(2) 0.4700(4) 0.0400(17) Uani 1 1 d . . .
N5 N 0.0546(4) 0.5839(2) 0.5093(4) 0.0433(19) Uani 1 1 d . . .
N6 N 0.1752(5) 0.6274(2) 0.6451(4) 0.0414(18) Uani 1 1 d . . .
N7 N 0.1365(6) 0.5655(2) 0.3138(5) 0.054(2) Uani 1 1 d . . .
C1 C 0.2191(6) 0.6440(3) 0.2524(5) 0.042(2) Uani 1 1 d . . .
C2 C 0.2054(6) 0.6298(2) 0.1684(5) 0.039(2) Uani 1 1 d . . .
C3 C 0.1315(6) 0.6454(3) 0.0956(5) 0.048(2) Uani 1 1 d . . .
H3 H 0.1198 0.6347 0.0391 0.057 Uiso 1 1 calc R . .
C4 C 0.0740(6) 0.6760(3) 0.1018(5) 0.047(2) Uani 1 1 d . . .
C5 C 0.0894(6) 0.6897(2) 0.1822(6) 0.046(2) Uani 1 1 d . . .
H5 H 0.0483 0.7103 0.1857 0.056 Uiso 1 1 calc R . .
C6 C 0.1612(5) 0.6760(2) 0.2611(5) 0.038(2) Uani 1 1 d . . .
C7 C 0.2686(6) 0.5980(3) 0.1588(5) 0.055(3) Uani 1 1 d . . .
H7 H 0.3049 0.5848 0.2180 0.066 Uiso 1 1 calc R . .
C8 C 0.3371(7) 0.6201(3) 0.1321(6) 0.081(3) Uani 1 1 d . . .
H8A H 0.3040 0.6321 0.0728 0.121 Uiso 1 1 calc R . .
H8B H 0.3820 0.5991 0.1326 0.121 Uiso 1 1 calc R . .
H8C H 0.3688 0.6431 0.1740 0.121 Uiso 1 1 calc R . .
C9 C 0.2142(8) 0.5613(3) 0.0941(6) 0.095(4) Uani 1 1 d . . .
H9A H 0.1682 0.5497 0.1109 0.142 Uiso 1 1 calc R . .
H9B H 0.2567 0.5384 0.0969 0.142 Uiso 1 1 calc R . .
H9C H 0.1835 0.5725 0.0339 0.142 Uiso 1 1 calc R . .
C10 C 0.1758(5) 0.6935(2) 0.3506(5) 0.038(2) Uani 1 1 d . . .
H10 H 0.2311 0.6795 0.3978 0.045 Uiso 1 1 calc R . .
C11 C 0.0904(6) 0.6845(3) 0.3687(6) 0.056(3) Uani 1 1 d . . .
H11A H 0.0342 0.6930 0.3173 0.084 Uiso 1 1 calc R . .
H11B H 0.0964 0.7009 0.4203 0.084 Uiso 1 1 calc R . .
H11C H 0.0876 0.6539 0.3799 0.084 Uiso 1 1 calc R . .
C12 C 0.1922(6) 0.7422(3) 0.3530(5) 0.061(3) Uani 1 1 d . . .
H12A H 0.2382 0.7483 0.3319 0.091 Uiso 1 1 calc R . .
H12B H 0.2142 0.7526 0.4135 0.091 Uiso 1 1 calc R . .
H12C H 0.1347 0.7567 0.3149 0.091 Uiso 1 1 calc R . .
C13 C -0.0077(6) 0.6920(3) 0.0200(6) 0.067(3) Uani 1 1 d . . .
H13 H -0.0295 0.7180 0.0396 0.081 Uiso 1 1 calc R . .
C14 C -0.0893(8) 0.6608(4) -0.0134(8) 0.162(8) Uani 1 1 d . . .
H14A H -0.0768 0.6368 -0.0435 0.244 Uiso 1 1 calc R . .
H14B H -0.1449 0.6757 -0.0546 0.244 Uiso 1 1 calc R . .
H14C H -0.0982 0.6502 0.0367 0.244 Uiso 1 1 calc R . .
C15 C 0.0199(8) 0.7083(4) -0.0512(7) 0.110(4) Uani 1 1 d . . .
H15A H 0.0615 0.7328 -0.0281 0.165 Uiso 1 1 calc R . .
H15B H -0.0352 0.7172 -0.1036 0.165 Uiso 1 1 calc R . .
H15C H 0.0508 0.6854 -0.0670 0.165 Uiso 1 1 calc R . .
C16 C 0.4004(5) 0.6832(3) 0.3479(5) 0.053(2) Uani 1 1 d . . .
H16A H 0.3497 0.6943 0.2943 0.079 Uiso 1 1 calc R . .
H16B H 0.4543 0.6788 0.3373 0.079 Uiso 1 1 calc R . .
H16C H 0.4152 0.7037 0.3961 0.079 Uiso 1 1 calc R . .
C17 C 0.3731(6) 0.6417(3) 0.3724(6) 0.042(2) Uani 1 1 d . . .
C18 C 0.4389(6) 0.6177(3) 0.4478(5) 0.043(2) Uani 1 1 d . . .
C19 C 0.5254(6) 0.6318(3) 0.4991(6) 0.049(2) Uani 1 1 d . . .
H19 H 0.5465 0.6580 0.4860 0.059 Uiso 1 1 calc R . .
C20 C 0.5831(6) 0.6072(3) 0.5716(5) 0.046(2) Uani 1 1 d . . .
H20 H 0.6444 0.6159 0.6077 0.055 Uiso 1 1 calc R . .
C21 C 0.5475(6) 0.5685(3) 0.5903(5) 0.043(2) Uani 1 1 d . . .
H21 H 0.5832 0.5515 0.6404 0.052 Uiso 1 1 calc R . .
C22 C 0.4599(5) 0.5572(2) 0.5328(5) 0.0226(17) Uani 1 1 d . . .
C23 C 0.4146(5) 0.5188(2) 0.5473(5) 0.0263(17) Uani 1 1 d . . .
C24 C 0.4632(5) 0.4861(2) 0.6051(5) 0.036(2) Uani 1 1 d . . .
H24 H 0.5276 0.4883 0.6398 0.043 Uiso 1 1 calc R . .
C25 C 0.4160(5) 0.4505(2) 0.6111(5) 0.036(2) Uani 1 1 d . . .
H25 H 0.4475 0.4272 0.6483 0.043 Uiso 1 1 calc R . .
C26 C 0.3215(6) 0.4496(2) 0.5615(5) 0.036(2) Uani 1 1 d . . .
H26 H 0.2876 0.4253 0.5635 0.044 Uiso 1 1 calc R . .
C27 C 0.2761(6) 0.4845(2) 0.5087(5) 0.0341(19) Uani 1 1 d . . .
C28 C 0.1737(6) 0.4837(3) 0.4583(5) 0.041(2) Uani 1 1 d . . .
C29 C 0.1269(6) 0.4520(3) 0.4008(6) 0.058(3) Uani 1 1 d . . .
H29 H 0.1586 0.4279 0.3938 0.070 Uiso 1 1 calc R . .
C30 C 0.0323(7) 0.4552(3) 0.3525(6) 0.062(3) Uani 1 1 d . . .
H30 H -0.0011 0.4335 0.3113 0.075 Uiso 1 1 calc R . .
C31 C -0.0123(6) 0.4898(3) 0.3648(5) 0.054(3) Uani 1 1 d . . .
H31 H -0.0770 0.4923 0.3328 0.065 Uiso 1 1 calc R . .
C32 C 0.0380(6) 0.5211(3) 0.4241(5) 0.050(3) Uani 1 1 d . . .
C33 C -0.0049(6) 0.5622(3) 0.4415(6) 0.050(2) Uani 1 1 d . . .
C34 C -0.0935(6) 0.5739(3) 0.3872(6) 0.060(3) Uani 1 1 d . . .
H34 H -0.1318 0.5561 0.3394 0.072 Uiso 1 1 calc R . .
C35 C -0.1248(7) 0.6107(4) 0.4028(7) 0.079(4) Uani 1 1 d . . .
H35 H -0.1856 0.6201 0.3665 0.095 Uiso 1 1 calc R . .
C36 C -0.0639(7) 0.6353(4) 0.4756(7) 0.070(3) Uani 1 1 d . . .
H36 H -0.0849 0.6614 0.4888 0.084 Uiso 1 1 calc R . .
C37 C 0.0267(6) 0.6221(3) 0.5287(6) 0.050(3) Uani 1 1 d . . .
C38 C 0.0962(6) 0.6449(3) 0.6079(5) 0.045(2) Uani 1 1 d . . .
C39 C 0.0686(6) 0.6861(3) 0.6362(6) 0.071(3) Uani 1 1 d . . .
H39A H 0.1150 0.6940 0.6953 0.106 Uiso 1 1 calc R . .
H39B H 0.0092 0.6822 0.6371 0.106 Uiso 1 1 calc R . .
H39C H 0.0635 0.7089 0.5946 0.106 Uiso 1 1 calc R . .
C40 C 0.2449(6) 0.6437(3) 0.7203(6) 0.052(2) Uani 1 1 d . . .
C41 C 0.3042(6) 0.6773(3) 0.7180(6) 0.051(2) Uani 1 1 d . . .
C42 C 0.3769(6) 0.6900(3) 0.7961(6) 0.056(3) Uani 1 1 d . . .
H42 H 0.4178 0.7109 0.7933 0.067 Uiso 1 1 calc R . .
C43 C 0.3937(7) 0.6739(4) 0.8785(7) 0.068(3) Uani 1 1 d . . .
C44 C 0.3374(7) 0.6423(4) 0.8808(7) 0.072(3) Uani 1 1 d . . .
H44 H 0.3498 0.6295 0.9359 0.086 Uiso 1 1 calc R . .
C45 C 0.2602(7) 0.6276(3) 0.8035(6) 0.068(3) Uani 1 1 d . . .
C46 C 0.2899(6) 0.6976(3) 0.6304(5) 0.052(2) Uani 1 1 d . . .
H46 H 0.2371 0.6835 0.5807 0.063 Uiso 1 1 calc R . .
C47 C 0.2695(7) 0.7465(3) 0.6320(6) 0.070(3) Uani 1 1 d . . .
H47A H 0.2200 0.7503 0.6493 0.104 Uiso 1 1 calc R . .
H47B H 0.2509 0.7587 0.5732 0.104 Uiso 1 1 calc R . .
H47C H 0.3248 0.7611 0.6744 0.104 Uiso 1 1 calc R . .
C48 C 0.3758(7) 0.6941(3) 0.6154(6) 0.072(3) Uani 1 1 d . . .
H48A H 0.4263 0.7099 0.6617 0.108 Uiso 1 1 calc R . .
H48B H 0.3631 0.7062 0.5577 0.108 Uiso 1 1 calc R . .
H48C H 0.3930 0.6639 0.6173 0.108 Uiso 1 1 calc R . .
C49 C 0.4796(7) 0.6873(4) 0.9622(6) 0.082(3) Uani 1 1 d . . .
H49 H 0.5055 0.7140 0.9495 0.098 Uiso 1 1 calc R . .
C50 C 0.5539(9) 0.6538(5) 0.9982(10) 0.231(11) Uani 1 1 d . . .
H50A H 0.5775 0.6521 1.0623 0.346 Uiso 1 1 calc R . .
H50B H 0.6039 0.6615 0.9835 0.346 Uiso 1 1 calc R . .
H50C H 0.5286 0.6260 0.9720 0.346 Uiso 1 1 calc R . .
C51 C 0.4590(9) 0.6951(5) 1.0362(7) 0.155(7) Uani 1 1 d . . .
H51A H 0.4292 0.6698 1.0461 0.232 Uiso 1 1 calc R . .
H51B H 0.4179 0.7198 1.0231 0.232 Uiso 1 1 calc R . .
H51C H 0.5160 0.7009 1.0892 0.232 Uiso 1 1 calc R . .
C52 C 0.1951(6) 0.5932(3) 0.8126(6) 0.061(3) Uani 1 1 d . . .
H52 H 0.1596 0.5794 0.7537 0.073 Uiso 1 1 calc R . .
C53 C 0.2497(8) 0.5574(3) 0.8805(6) 0.100(4) Uani 1 1 d . . .
H53A H 0.2710 0.5684 0.9405 0.150 Uiso 1 1 calc R . .
H53B H 0.3025 0.5486 0.8712 0.150 Uiso 1 1 calc R . .
H53C H 0.2096 0.5326 0.8722 0.150 Uiso 1 1 calc R . .
C54 C 0.1286(6) 0.6167(3) 0.8364(6) 0.074(3) Uani 1 1 d . . .
H54A H 0.1625 0.6356 0.8867 0.111 Uiso 1 1 calc R . .
H54B H 0.0929 0.5961 0.8521 0.111 Uiso 1 1 calc R . .
H54C H 0.0870 0.6339 0.7860 0.111 Uiso 1 1 calc R . .
C55 C 0.0661(10) 0.5696(3) 0.2550(9) 0.088(4) Uani 1 1 d . . .
C56 C -0.0302(8) 0.5745(5) 0.1678(9) 0.194(9) Uani 1 1 d . . .
H56A H -0.0228 0.5946 0.1270 0.291 Uiso 1 1 calc R . .
H56B H -0.0769 0.5853 0.1842 0.291 Uiso 1 1 calc R . .
H56C H -0.0492 0.5466 0.1391 0.291 Uiso 1 1 calc R . .
Co3 Co 0.72656(15) 0.69292(6) 0.47285(17) 0.0474(6) Uani 0.50 1 d P . .
Cl4 Cl 0.6416(3) 0.65382(12) 0.3446(3) 0.0500(12) Uani 0.50 1 d P . .
Cl5 Cl 0.8309(3) 0.73252(14) 0.4456(4) 0.0728(16) Uani 0.50 1 d P . .
Cl6 Cl 0.8062(3) 0.65343(13) 0.5943(3) 0.0556(13) Uani 0.50 1 d P . .
Cl7 Cl 0.6320(3) 0.73590(13) 0.4999(4) 0.0731(17) Uani 0.50 1 d P . .
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'
Cl Cl 0.1484 0.1585 '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'
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
N7 Co1 N2 165.5(3) . . ?
N7 Co1 N3 116.5(3) . . ?
N2 Co1 N3 75.8(2) . . ?
N7 Co1 N1 91.5(3) . . ?
N2 Co1 N1 75.2(2) . . ?
N3 Co1 N1 150.2(3) . . ?
N7 Co1 Cl1 89.2(2) . . ?
N2 Co1 Cl1 99.43(17) . . ?
N3 Co1 Cl1 87.72(16) . . ?
N1 Co1 Cl1 103.49(16) . . ?
N7 Co1 Cl2 90.0(2) . . ?
N2 Co1 Cl2 83.70(17) . . ?
N3 Co1 Cl2 82.83(16) . . ?
N1 Co1 Cl2 87.48(16) . . ?
Cl1 Co1 Cl2 169.01(8) . . ?
N5 Co2 N4 76.1(3) . . ?
N5 Co2 N6 77.0(3) . . ?
N4 Co2 N6 153.0(3) . . ?
N5 Co2 Cl3 129.79(19) . . ?
N4 Co2 Cl3 95.02(18) . . ?
N6 Co2 Cl3 101.87(18) . . ?
N5 Co2 Cl2 102.35(19) . . ?
N4 Co2 Cl2 95.80(16) . . ?
N6 Co2 Cl2 90.32(17) . . ?
Cl3 Co2 Cl2 127.82(9) . . ?
Co2 Cl2 Co1 109.69(9) . . ?
C17 N1 C1 123.6(7) . . ?
C17 N1 Co1 114.3(5) . . ?
C1 N1 Co1 122.0(5) . . ?
C22 N2 C18 117.8(7) . . ?
C22 N2 Co1 122.2(5) . . ?
C18 N2 Co1 119.5(5) . . ?
C27 N3 C23 117.9(6) . . ?
C27 N3 Co1 127.6(5) . . ?
C23 N3 Co1 112.7(4) . . ?
C32 N4 C28 117.9(8) . . ?
C32 N4 Co2 112.7(6) . . ?
C28 N4 Co2 128.4(5) . . ?
C33 N5 C37 117.8(8) . . ?
C33 N5 Co2 124.0(6) . . ?
C37 N5 Co2 117.6(6) . . ?
C38 N6 C40 122.4(8) . . ?
C38 N6 Co2 113.2(6) . . ?
C40 N6 Co2 124.4(6) . . ?
C55 N7 Co1 163.5(9) . . ?
C2 C1 C6 120.7(8) . . ?
C2 C1 N1 120.7(7) . . ?
C6 C1 N1 118.6(7) . . ?
C3 C2 C1 118.5(7) . . ?
C3 C2 C7 120.7(7) . . ?
C1 C2 C7 120.9(8) . . ?
C2 C3 C4 122.1(8) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
C5 C4 C3 118.3(8) . . ?
C5 C4 C13 121.1(9) . . ?
C3 C4 C13 120.6(8) . . ?
C4 C5 C6 125.1(8) . . ?
C4 C5 H5 117.5 . . ?
C6 C5 H5 117.5 . . ?
C5 C6 C1 115.3(8) . . ?
C5 C6 C10 122.4(7) . . ?
C1 C6 C10 122.4(7) . . ?
C2 C7 C8 111.0(7) . . ?
C2 C7 C9 111.3(8) . . ?
C8 C7 C9 112.4(7) . . ?
C2 C7 H7 107.3 . . ?
C8 C7 H7 107.3 . . ?
C9 C7 H7 107.3 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 C12 109.1(6) . . ?
C6 C10 C11 111.6(7) . . ?
C12 C10 C11 109.2(6) . . ?
C6 C10 H10 109.0 . . ?
C12 C10 H10 109.0 . . ?
C11 C10 H10 109.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C4 C13 C14 112.9(7) . . ?
C4 C13 C15 112.4(8) . . ?
C14 C13 C15 115.1(9) . . ?
C4 C13 H13 105.1 . . ?
C14 C13 H13 105.1 . . ?
C15 C13 H13 105.1 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N1 C17 C18 116.3(8) . . ?
N1 C17 C16 123.8(8) . . ?
C18 C17 C16 119.9(8) . . ?
C19 C18 N2 122.6(8) . . ?
C19 C18 C17 122.9(8) . . ?
N2 C18 C17 114.5(7) . . ?
C18 C19 C20 119.0(8) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 H19 120.5 . . ?
C19 C20 C21 118.5(8) . . ?
C19 C20 H20 120.7 . . ?
C21 C20 H20 120.7 . . ?
C22 C21 C20 117.1(7) . . ?
C22 C21 H21 121.4 . . ?
C20 C21 H21 121.4 . . ?
N2 C22 C21 124.9(7) . . ?
N2 C22 C23 113.0(7) . . ?
C21 C22 C23 121.9(7) . . ?
N3 C23 C24 122.7(7) . . ?
N3 C23 C22 114.6(6) . . ?
C24 C23 C22 122.7(7) . . ?
C25 C24 C23 118.9(8) . . ?
C25 C24 H24 120.6 . . ?
C23 C24 H24 120.6 . . ?
C24 C25 C26 118.3(7) . . ?
C24 C25 H25 120.9 . . ?
C26 C25 H25 120.9 . . ?
C25 C26 C27 120.1(7) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
N3 C27 C26 121.9(8) . . ?
N3 C27 C28 118.7(7) . . ?
C26 C27 C28 119.4(7) . . ?
C29 C28 N4 122.0(8) . . ?
C29 C28 C27 123.2(8) . . ?
N4 C28 C27 114.7(8) . . ?
C28 C29 C30 119.4(9) . . ?
C28 C29 H29 120.3 . . ?
C30 C29 H29 120.3 . . ?
C31 C30 C29 119.4(9) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C30 C31 C32 119.1(9) . . ?
C30 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
N4 C32 C31 122.2(9) . . ?
N4 C32 C33 114.2(8) . . ?
C31 C32 C33 123.5(8) . . ?
N5 C33 C34 126.5(9) . . ?
N5 C33 C32 112.0(8) . . ?
C34 C33 C32 121.4(9) . . ?
C35 C34 C33 118.5(10) . . ?
C35 C34 H34 120.7 . . ?
C33 C34 H34 120.7 . . ?
C34 C35 C36 117.4(9) . . ?
C34 C35 H35 121.3 . . ?
C36 C35 H35 121.3 . . ?
C37 C36 C35 121.8(10) . . ?
C37 C36 H36 119.1 . . ?
C35 C36 H36 119.1 . . ?
N5 C37 C36 117.9(9) . . ?
N5 C37 C38 115.5(7) . . ?
C36 C37 C38 126.5(9) . . ?
N6 C38 C37 115.7(8) . . ?
N6 C38 C39 125.9(8) . . ?
C37 C38 C39 118.5(7) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N6 C40 C45 120.2(9) . . ?
N6 C40 C41 122.1(8) . . ?
C45 C40 C41 117.7(9) . . ?
C42 C41 C40 118.7(8) . . ?
C42 C41 C46 120.4(9) . . ?
C40 C41 C46 120.9(8) . . ?
C41 C42 C43 124.1(10) . . ?
C41 C42 H42 118.0 . . ?
C43 C42 H42 118.0 . . ?
C44 C43 C42 117.2(10) . . ?
C44 C43 C49 121.2(10) . . ?
C42 C43 C49 121.2(11) . . ?
C43 C44 C45 122.5(10) . . ?
C43 C44 H44 118.8 . . ?
C45 C44 H44 118.8 . . ?
C40 C45 C44 119.6(10) . . ?
C40 C45 C52 121.1(9) . . ?
C44 C45 C52 119.3(9) . . ?
C48 C46 C41 111.9(7) . . ?
C48 C46 C47 106.8(8) . . ?
C41 C46 C47 109.2(7) . . ?
C48 C46 H46 109.6 . . ?
C41 C46 H46 109.6 . . ?
C47 C46 H46 109.6 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C51 C49 C50 102.6(12) . . ?
C51 C49 C43 112.1(9) . . ?
C50 C49 C43 114.8(10) . . ?
C51 C49 H49 109.0 . . ?
C50 C49 H49 109.0 . . ?
C43 C49 H49 109.0 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C54 C52 C45 106.8(8) . . ?
C54 C52 C53 113.2(7) . . ?
C45 C52 C53 112.0(8) . . ?
C54 C52 H52 108.2 . . ?
C45 C52 H52 108.2 . . ?
C53 C52 H52 108.2 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
N7 C55 C56 176.1(13) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
Cl7 Co3 Cl6 108.1(2) . . ?
Cl7 Co3 Cl5 110.72(18) . . ?
Cl6 Co3 Cl5 107.51(19) . . ?
Cl7 Co3 Cl4 109.10(19) . . ?
Cl6 Co3 Cl4 115.20(17) . . ?
Cl5 Co3 Cl4 106.2(2) . . ?
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 N7 2.011(8) . ?
Co1 N2 2.013(6) . ?
Co1 N3 2.179(6) . ?
Co1 N1 2.248(6) . ?
Co1 Cl1 2.347(2) . ?
Co1 Cl2 2.501(2) . ?
Co2 N5 1.996(7) . ?
Co2 N4 2.233(7) . ?
Co2 N6 2.239(7) . ?
Co2 Cl3 2.241(2) . ?
Co2 Cl2 2.267(2) . ?
N1 C17 1.289(9) . ?
N1 C1 1.463(9) . ?
N2 C22 1.311(8) . ?
N2 C18 1.386(9) . ?
N3 C27 1.334(8) . ?
N3 C23 1.366(8) . ?
N4 C32 1.354(9) . ?
N4 C28 1.368(10) . ?
N5 C33 1.315(10) . ?
N5 C37 1.370(10) . ?
N6 C38 1.276(9) . ?
N6 C40 1.372(10) . ?
N7 C55 1.144(13) . ?
C1 C2 1.412(10) . ?
C1 C6 1.424(10) . ?
C2 C3 1.373(10) . ?
C2 C7 1.490(10) . ?
C3 C4 1.376(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.339(10) . ?
C4 C13 1.517(11) . ?
C5 C6 1.396(10) . ?
C5 H5 0.9500 . ?
C6 C10 1.528(10) . ?
C7 C8 1.540(12) . ?
C7 C9 1.563(11) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C12 1.544(10) . ?
C10 C11 1.576(10) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.539(12) . ?
C13 C15 1.548(13) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.486(10) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.458(11) . ?
C18 C19 1.359(10) . ?
C19 C20 1.398(10) . ?
C19 H19 0.9500 . ?
C20 C21 1.437(10) . ?
C20 H20 0.9500 . ?
C21 C22 1.369(9) . ?
C21 H21 0.9500 . ?
C22 C23 1.484(9) . ?
C23 C24 1.392(9) . ?
C24 C25 1.381(9) . ?
C24 H24 0.9500 . ?
C25 C26 1.388(9) . ?
C25 H25 0.9500 . ?
C26 C27 1.395(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.498(10) . ?
C28 C29 1.360(11) . ?
C29 C30 1.389(11) . ?
C29 H29 0.9500 . ?
C30 C31 1.370(12) . ?
C30 H30 0.9500 . ?
C31 C32 1.379(11) . ?
C31 H31 0.9500 . ?
C32 C33 1.553(12) . ?
C33 C34 1.372(10) . ?
C34 C35 1.332(13) . ?
C34 H34 0.9500 . ?
C35 C36 1.417(13) . ?
C35 H35 0.9500 . ?
C36 C37 1.405(11) . ?
C36 H36 0.9500 . ?
C37 C38 1.496(12) . ?
C38 C39 1.511(11) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C45 1.411(11) . ?
C40 C41 1.441(12) . ?
C41 C42 1.384(11) . ?
C41 C46 1.533(11) . ?
C42 C43 1.391(12) . ?
C42 H42 0.9500 . ?
C43 C44 1.360(13) . ?
C43 C49 1.542(13) . ?
C44 C45 1.428(12) . ?
C44 H44 0.9500 . ?
C45 C52 1.565(13) . ?
C46 C48 1.532(11) . ?
C46 C47 1.566(11) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C51 1.455(12) . ?
C49 C50 1.509(14) . ?
C49 H49 1.0000 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C54 1.506(11) . ?
C52 C53 1.567(12) . ?
C52 H52 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.614(16) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
Co3 Cl7 2.239(5) . ?
Co3 Cl6 2.251(5) . ?
Co3 Cl5 2.308(5) . ?
Co3 Cl4 2.335(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N5 Co2 Cl2 Co1 -98.2(2) . . . . ?
N4 Co2 Cl2 Co1 -21.23(19) . . . . ?
N6 Co2 Cl2 Co1 -174.92(19) . . . . ?
Cl3 Co2 Cl2 Co1 79.73(13) . . . . ?
N7 Co1 Cl2 Co2 73.8(2) . . . . ?
N2 Co1 Cl2 Co2 -119.34(18) . . . . ?
N3 Co1 Cl2 Co2 -42.94(18) . . . . ?
N1 Co1 Cl2 Co2 165.3(2) . . . . ?
Cl1 Co1 Cl2 Co2 -12.1(5) . . . . ?
N7 Co1 N1 C17 171.4(6) . . . . ?
N2 Co1 N1 C17 -2.7(5) . . . . ?
N3 Co1 N1 C17 10.6(8) . . . . ?
Cl1 Co1 N1 C17 -99.1(5) . . . . ?
Cl2 Co1 N1 C17 81.4(5) . . . . ?
N7 Co1 N1 C1 -11.6(6) . . . . ?
N2 Co1 N1 C1 174.3(6) . . . . ?
N3 Co1 N1 C1 -172.4(5) . . . . ?
Cl1 Co1 N1 C1 77.9(5) . . . . ?
Cl2 Co1 N1 C1 -101.6(5) . . . . ?
N7 Co1 N2 C22 152.1(10) . . . . ?
N3 Co1 N2 C22 3.2(5) . . . . ?
N1 Co1 N2 C22 176.4(6) . . . . ?
Cl1 Co1 N2 C22 -82.0(5) . . . . ?
Cl2 Co1 N2 C22 87.3(5) . . . . ?
N7 Co1 N2 C18 -20.2(13) . . . . ?
N3 Co1 N2 C18 -169.1(6) . . . . ?
N1 Co1 N2 C18 4.1(5) . . . . ?
Cl1 Co1 N2 C18 105.7(5) . . . . ?
Cl2 Co1 N2 C18 -84.9(5) . . . . ?
N7 Co1 N3 C27 14.3(7) . . . . ?
N2 Co1 N3 C27 -174.0(6) . . . . ?
N1 Co1 N3 C27 172.7(5) . . . . ?
Cl1 Co1 N3 C27 -73.7(6) . . . . ?
Cl2 Co1 N3 C27 100.7(6) . . . . ?
N7 Co1 N3 C23 178.7(5) . . . . ?
N2 Co1 N3 C23 -9.6(4) . . . . ?
N1 Co1 N3 C23 -22.9(7) . . . . ?
Cl1 Co1 N3 C23 90.7(4) . . . . ?
Cl2 Co1 N3 C23 -94.9(4) . . . . ?
N5 Co2 N4 C32 -6.0(5) . . . . ?
N6 Co2 N4 C32 -5.1(8) . . . . ?
Cl3 Co2 N4 C32 123.8(5) . . . . ?
Cl2 Co2 N4 C32 -107.3(5) . . . . ?
N5 Co2 N4 C28 -174.2(6) . . . . ?
N6 Co2 N4 C28 -173.2(5) . . . . ?
Cl3 Co2 N4 C28 -44.4(6) . . . . ?
Cl2 Co2 N4 C28 84.5(6) . . . . ?
N4 Co2 N5 C33 -0.7(6) . . . . ?
N6 Co2 N5 C33 179.8(7) . . . . ?
Cl3 Co2 N5 C33 -85.5(7) . . . . ?
Cl2 Co2 N5 C33 92.3(6) . . . . ?
N4 Co2 N5 C37 -171.0(6) . . . . ?
N6 Co2 N5 C37 9.4(5) . . . . ?
Cl3 Co2 N5 C37 104.1(6) . . . . ?
Cl2 Co2 N5 C37 -78.1(5) . . . . ?
N5 Co2 N6 C38 -7.1(5) . . . . ?
N4 Co2 N6 C38 -8.0(9) . . . . ?
Cl3 Co2 N6 C38 -135.6(5) . . . . ?
Cl2 Co2 N6 C38 95.5(5) . . . . ?
N5 Co2 N6 C40 174.0(7) . . . . ?
N4 Co2 N6 C40 173.1(6) . . . . ?
Cl3 Co2 N6 C40 45.5(6) . . . . ?
Cl2 Co2 N6 C40 -83.4(6) . . . . ?
N2 Co1 N7 C55 62(4) . . . . ?
N3 Co1 N7 C55 -152(3) . . . . ?
N1 Co1 N7 C55 38(3) . . . . ?
Cl1 Co1 N7 C55 -65(3) . . . . ?
Cl2 Co1 N7 C55 126(3) . . . . ?
C17 N1 C1 C2 92.8(10) . . . . ?
Co1 N1 C1 C2 -83.9(8) . . . . ?
C17 N1 C1 C6 -88.4(9) . . . . ?
Co1 N1 C1 C6 94.9(7) . . . . ?
C6 C1 C2 C3 -4.1(12) . . . . ?
N1 C1 C2 C3 174.7(7) . . . . ?
C6 C1 C2 C7 176.9(7) . . . . ?
N1 C1 C2 C7 -4.3(12) . . . . ?
C1 C2 C3 C4 3.7(12) . . . . ?
C7 C2 C3 C4 -177.3(8) . . . . ?
C2 C3 C4 C5 -2.4(13) . . . . ?
C2 C3 C4 C13 -179.2(8) . . . . ?
C3 C4 C5 C6 1.6(13) . . . . ?
C13 C4 C5 C6 178.4(8) . . . . ?
C4 C5 C6 C1 -2.0(12) . . . . ?
C4 C5 C6 C10 178.9(7) . . . . ?
C2 C1 C6 C5 3.2(11) . . . . ?
N1 C1 C6 C5 -175.6(7) . . . . ?
C2 C1 C6 C10 -177.7(7) . . . . ?
N1 C1 C6 C10 3.5(11) . . . . ?
C3 C2 C7 C8 79.5(10) . . . . ?
C1 C2 C7 C8 -101.5(9) . . . . ?
C3 C2 C7 C9 -46.5(11) . . . . ?
C1 C2 C7 C9 132.4(8) . . . . ?
C5 C6 C10 C12 -60.6(10) . . . . ?
C1 C6 C10 C12 120.4(8) . . . . ?
C5 C6 C10 C11 60.1(9) . . . . ?
C1 C6 C10 C11 -118.9(8) . . . . ?
C5 C4 C13 C14 -98.4(11) . . . . ?
C3 C4 C13 C14 78.3(13) . . . . ?
C5 C4 C13 C15 129.3(10) . . . . ?
C3 C4 C13 C15 -53.9(11) . . . . ?
C1 N1 C17 C18 -176.0(7) . . . . ?
Co1 N1 C17 C18 0.9(9) . . . . ?
C1 N1 C17 C16 6.6(12) . . . . ?
Co1 N1 C17 C16 -176.5(6) . . . . ?
C22 N2 C18 C19 1.1(11) . . . . ?
Co1 N2 C18 C19 173.7(6) . . . . ?
C22 N2 C18 C17 -177.7(6) . . . . ?
Co1 N2 C18 C17 -5.1(9) . . . . ?
N1 C17 C18 C19 -176.4(7) . . . . ?
C16 C17 C18 C19 1.1(12) . . . . ?
N1 C17 C18 N2 2.4(10) . . . . ?
C16 C17 C18 N2 179.9(7) . . . . ?
N2 C18 C19 C20 -0.4(12) . . . . ?
C17 C18 C19 C20 178.3(7) . . . . ?
C18 C19 C20 C21 -1.7(12) . . . . ?
C19 C20 C21 C22 3.0(11) . . . . ?
C18 N2 C22 C21 0.4(10) . . . . ?
Co1 N2 C22 C21 -172.0(5) . . . . ?
C18 N2 C22 C23 175.8(6) . . . . ?
Co1 N2 C22 C23 3.5(8) . . . . ?
C20 C21 C22 N2 -2.4(11) . . . . ?
C20 C21 C22 C23 -177.5(6) . . . . ?
C27 N3 C23 C24 1.0(10) . . . . ?
Co1 N3 C23 C24 -165.0(5) . . . . ?
C27 N3 C23 C22 -179.6(6) . . . . ?
Co1 N3 C23 C22 14.3(7) . . . . ?
N2 C22 C23 N3 -12.1(8) . . . . ?
C21 C22 C23 N3 163.5(6) . . . . ?
N2 C22 C23 C24 167.2(6) . . . . ?
C21 C22 C23 C24 -17.2(10) . . . . ?
N3 C23 C24 C25 2.6(11) . . . . ?
C22 C23 C24 C25 -176.6(6) . . . . ?
C23 C24 C25 C26 -2.4(11) . . . . ?
C24 C25 C26 C27 -1.3(10) . . . . ?
C23 N3 C27 C26 -4.9(10) . . . . ?
Co1 N3 C27 C26 158.7(5) . . . . ?
C23 N3 C27 C28 177.9(6) . . . . ?
Co1 N3 C27 C28 -18.5(9) . . . . ?
C25 C26 C27 N3 5.2(11) . . . . ?
C25 C26 C27 C28 -177.6(7) . . . . ?
C32 N4 C28 C29 1.7(11) . . . . ?
Co2 N4 C28 C29 169.4(6) . . . . ?
C32 N4 C28 C27 177.8(6) . . . . ?
Co2 N4 C28 C27 -14.6(9) . . . . ?
N3 C27 C28 C29 121.4(9) . . . . ?
C26 C27 C28 C29 -55.8(10) . . . . ?
N3 C27 C28 N4 -54.5(9) . . . . ?
C26 C27 C28 N4 128.2(7) . . . . ?
N4 C28 C29 C30 -0.1(13) . . . . ?
C27 C28 C29 C30 -175.8(7) . . . . ?
C28 C29 C30 C31 -1.2(13) . . . . ?
C29 C30 C31 C32 0.8(13) . . . . ?
C28 N4 C32 C31 -2.1(11) . . . . ?
Co2 N4 C32 C31 -171.6(6) . . . . ?
C28 N4 C32 C33 -179.8(6) . . . . ?
Co2 N4 C32 C33 10.7(8) . . . . ?
C30 C31 C32 N4 0.8(13) . . . . ?
C30 C31 C32 C33 178.4(8) . . . . ?
C37 N5 C33 C34 0.1(12) . . . . ?
Co2 N5 C33 C34 -170.3(6) . . . . ?
C37 N5 C33 C32 176.7(7) . . . . ?
Co2 N5 C33 C32 6.3(9) . . . . ?
N4 C32 C33 N5 -11.2(10) . . . . ?
C31 C32 C33 N5 171.1(8) . . . . ?
N4 C32 C33 C34 165.5(7) . . . . ?
C31 C32 C33 C34 -12.2(13) . . . . ?
N5 C33 C34 C35 -0.1(14) . . . . ?
C32 C33 C34 C35 -176.4(8) . . . . ?
C33 C34 C35 C36 -0.5(14) . . . . ?
C34 C35 C36 C37 1.2(15) . . . . ?
C33 N5 C37 C36 0.6(11) . . . . ?
Co2 N5 C37 C36 171.6(6) . . . . ?
C33 N5 C37 C38 178.4(7) . . . . ?
Co2 N5 C37 C38 -10.6(9) . . . . ?
C35 C36 C37 N5 -1.3(13) . . . . ?
C35 C36 C37 C38 -178.8(9) . . . . ?
C40 N6 C38 C37 -177.4(7) . . . . ?
Co2 N6 C38 C37 3.7(9) . . . . ?
C40 N6 C38 C39 3.4(13) . . . . ?
Co2 N6 C38 C39 -175.5(7) . . . . ?
N5 C37 C38 N6 3.9(11) . . . . ?
C36 C37 C38 N6 -178.5(8) . . . . ?
N5 C37 C38 C39 -176.9(7) . . . . ?
C36 C37 C38 C39 0.7(13) . . . . ?
C38 N6 C40 C45 95.4(10) . . . . ?
Co2 N6 C40 C45 -85.8(9) . . . . ?
C38 N6 C40 C41 -84.3(11) . . . . ?
Co2 N6 C40 C41 94.5(9) . . . . ?
N6 C40 C41 C42 -175.6(8) . . . . ?
C45 C40 C41 C42 4.7(12) . . . . ?
N6 C40 C41 C46 1.9(13) . . . . ?
C45 C40 C41 C46 -177.8(7) . . . . ?
C40 C41 C42 C43 -3.9(13) . . . . ?
C46 C41 C42 C43 178.6(8) . . . . ?
C41 C42 C43 C44 3.5(14) . . . . ?
C41 C42 C43 C49 176.0(8) . . . . ?
C42 C43 C44 C45 -4.0(15) . . . . ?
C49 C43 C44 C45 -176.5(8) . . . . ?
N6 C40 C45 C44 175.0(8) . . . . ?
C41 C40 C45 C44 -5.3(13) . . . . ?
N6 C40 C45 C52 -3.8(13) . . . . ?
C41 C40 C45 C52 175.9(8) . . . . ?
C43 C44 C45 C40 5.1(14) . . . . ?
C43 C44 C45 C52 -176.0(9) . . . . ?
C42 C41 C46 C48 54.5(11) . . . . ?
C40 C41 C46 C48 -122.9(9) . . . . ?
C42 C41 C46 C47 -63.6(10) . . . . ?
C40 C41 C46 C47 119.0(9) . . . . ?
C44 C43 C49 C51 -49.5(15) . . . . ?
C42 C43 C49 C51 138.3(11) . . . . ?
C44 C43 C49 C50 67.0(15) . . . . ?
C42 C43 C49 C50 -105.2(14) . . . . ?
C40 C45 C52 C54 -98.1(10) . . . . ?
C44 C45 C52 C54 83.1(10) . . . . ?
C40 C45 C52 C53 137.4(9) . . . . ?
C44 C45 C52 C53 -41.4(11) . . . . ?
Co1 N7 C55 C56 32(20) . . . . ?
