#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:55:11 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180455 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/24/7212499.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_7212499
loop_
_publ_author_name
'Li, Gao'
'Xi, Xiaobing'
'Xuan, Weimin'
'Dong, Taiwei'
'Cui, Yong'
_publ_section_title
;
 Homochiral helical coordination polymers of metallosalen complexes with
 tunable pitches
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              2424
_journal_paper_doi               10.1039/c001121e
_journal_volume                  12
_journal_year                    2010
_chemical_absolute_configuration ad
_chemical_formula_sum            'C38 H42 Co N4 O2'
_chemical_formula_weight         645.69
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 113.54(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.561(3)
_cell_length_b                   12.656(3)
_cell_length_c                   17.176(3)
_cell_measurement_reflns_used    24215
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.05
_cell_volume                     3300.4(14)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0956
_diffrn_reflns_av_sigmaI/netI    0.1212
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24215
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.559
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.941
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-like
_exptl_crystal_F_000             1364
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.763
_refine_diff_density_min         -0.572
_refine_diff_density_rms         0.066
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.959
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     811
_refine_ls_number_reflns         10387
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.959
_refine_ls_R_factor_all          0.1186
_refine_ls_R_factor_gt           0.0676
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0866P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1525
_refine_ls_wR_factor_ref         0.1825
_reflns_number_gt                6087
_reflns_number_total             10387
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c001121e.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3300.5(11)
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7212499
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
Co1 Co 0.36644(9) 0.27473(9) 0.23139(8) 0.0457(4) Uani 1 1 d .
Co2 Co 0.86822(9) 0.55765(9) 0.73067(8) 0.0437(4) Uani 1 1 d .
O1 O 0.4621(5) 0.2069(7) 0.3160(4) 0.055(2) Uani 1 1 d .
O2 O 0.4134(5) 0.2264(6) 0.1552(4) 0.052(2) Uani 1 1 d .
O3 O 0.9628(4) 0.6285(6) 0.8149(4) 0.0421(18) Uani 1 1 d .
O4 O 0.9169(4) 0.6024(6) 0.6531(4) 0.047(2) Uani 1 1 d .
N1 N 0.5656(5) -0.0791(7) 0.7405(5) 0.045(2) Uani 1 1 d .
N2 N 0.3073(5) 0.2980(7) 0.3043(5) 0.043(2) Uani 1 1 d .
N3 N 0.2649(5) 0.3263(8) 0.1444(5) 0.048(2) Uani 1 1 d .
N4 N 0.3332(7) 0.3008(9) -0.3216(5) 0.068(3) Uani 1 1 d .
N5 N 1.0661(5) 0.9104(8) 1.2367(5) 0.049(2) Uani 1 1 d .
N6 N 0.8065(5) 0.5455(8) 0.8000(5) 0.045(2) Uani 1 1 d .
N7 N 0.7704(6) 0.4961(8) 0.6465(5) 0.046(2) Uani 1 1 d .
N8 N 0.8310(7) 0.5317(9) 0.1755(6) 0.074(3) Uani 1 1 d .
C1 C 0.5430(8) -0.0234(10) 0.7940(6) 0.062(3) Uani 1 1 d .
H1A H 0.5592 -0.0492 0.8502 0.074 Uiso 1 1 calc R
C2 C 0.4997(7) 0.0651(10) 0.7732(6) 0.057(3) Uani 1 1 d .
H2A H 0.4832 0.0989 0.8141 0.068 Uiso 1 1 calc R
C3 C 0.4770(7) 0.1112(10) 0.6967(6) 0.055(3) Uani 1 1 d .
H3A H 0.4447 0.1755 0.6833 0.067 Uiso 1 1 calc R
C4 C 0.5018(7) 0.0622(10) 0.6392(6) 0.048(3) Uani 1 1 d .
C5 C 0.5439(7) -0.0356(9) 0.6644(7) 0.047(3) Uani 1 1 d .
H5A H 0.5580 -0.0739 0.6239 0.056 Uiso 1 1 calc R
C6 C 0.4895(7) 0.1040(9) 0.5543(6) 0.041(3) Uani 1 1 d .
C7 C 0.5591(7) 0.0983(9) 0.5270(6) 0.048(3) Uani 1 1 d .
H7A H 0.6128 0.0665 0.5637 0.058 Uiso 1 1 calc R
C8 C 0.5535(7) 0.1362(9) 0.4504(6) 0.043(3) Uani 1 1 d .
C9 C 0.4713(7) 0.1794(9) 0.3959(5) 0.047(3) Uani 1 1 d .
C10 C 0.4039(7) 0.1981(9) 0.4252(6) 0.043(3) Uani 1 1 d .
C11 C 0.4164(7) 0.1600(8) 0.5036(6) 0.045(3) Uani 1 1 d .
H11A H 0.3719 0.1730 0.5242 0.054 Uiso 1 1 calc R
C12 C 0.6339(7) 0.1327(10) 0.4256(6) 0.052(3) Uani 1 1 d .
C13 C 0.6544(8) 0.2424(10) 0.4054(7) 0.070(4) Uani 1 1 d .
H13A H 0.7064 0.2404 0.3917 0.105 Uiso 1 1 calc R
H13B H 0.6662 0.2882 0.4548 0.105 Uiso 1 1 calc R
H13C H 0.6041 0.2701 0.3568 0.105 Uiso 1 1 calc R
C14 C 0.7150(7) 0.0838(12) 0.4963(6) 0.074(4) Uani 1 1 d .
H14A H 0.7647 0.0844 0.4791 0.112 Uiso 1 1 calc R
H14B H 0.7018 0.0108 0.5063 0.112 Uiso 1 1 calc R
H14C H 0.7301 0.1249 0.5486 0.112 Uiso 1 1 calc R
C15 C 0.6158(6) 0.0605(12) 0.3464(5) 0.056(3) Uani 1 1 d .
H15A H 0.6680 0.0593 0.3329 0.083 Uiso 1 1 calc R
H15B H 0.5655 0.0883 0.2978 0.083 Uiso 1 1 calc R
H15C H 0.6026 -0.0114 0.3590 0.083 Uiso 1 1 calc R
C16 C 0.3288(7) 0.2570(10) 0.3766(6) 0.047(3) Uani 1 1 d .
H16A H 0.2880 0.2675 0.4021 0.057 Uiso 1 1 calc R
C17 C 0.2356(6) 0.3755(8) 0.2693(5) 0.056(3) Uani 1 1 d .
H17A H 0.2640 0.4466 0.2763 0.068 Uiso 1 1 calc R
C18 C 0.1694(7) 0.3831(10) 0.3048(6) 0.055(3) Uani 1 1 d .
H18A H 0.1982 0.4009 0.3660 0.066 Uiso 1 1 calc R
H18B H 0.1395 0.3141 0.2994 0.066 Uiso 1 1 calc R
C19 C 0.1021(8) 0.4676(9) 0.2587(6) 0.062(3) Uani 1 1 d .
H19A H 0.0560 0.4691 0.2817 0.075 Uiso 1 1 calc R
H19B H 0.1314 0.5374 0.2696 0.075 Uiso 1 1 calc R
C20 C 0.0600(6) 0.4491(7) 0.1655(5) 0.057(3) Uani 1 1 d .
H20A H 0.0203 0.5089 0.1380 0.068 Uiso 1 1 calc R
H20B H 0.0239 0.3840 0.1541 0.068 Uiso 1 1 calc R
C21 C 0.1283(7) 0.4380(10) 0.1271(6) 0.059(3) Uani 1 1 d .
H21A H 0.0991 0.4177 0.0666 0.071 Uiso 1 1 calc R
H21B H 0.1589 0.5061 0.1307 0.071 Uiso 1 1 calc R
C22 C 0.1937(5) 0.3541(7) 0.1759(5) 0.048(2) Uani 1 1 d .
H22A H 0.1585 0.2881 0.1695 0.057 Uiso 1 1 calc R
C23 C 0.2482(7) 0.3354(9) 0.0645(6) 0.046(3) Uani 1 1 d .
H23A H 0.1943 0.3669 0.0279 0.055 Uiso 1 1 calc R
C24 C 0.3095(7) 0.2989(10) 0.0288(6) 0.051(3) Uani 1 1 d .
C25 C 0.3871(6) 0.2445(8) 0.0749(7) 0.046(3) Uani 1 1 d .
C26 C 0.4377(7) 0.2069(9) 0.0271(6) 0.043(3) Uani 1 1 d .
C27 C 0.4067(7) 0.2332(9) -0.0585(6) 0.051(3) Uani 1 1 d .
H27A H 0.4413 0.2106 -0.0882 0.062 Uiso 1 1 calc R
C28 C 0.3310(6) 0.2888(9) -0.1049(6) 0.045(3) Uani 1 1 d .
C29 C 0.2783(7) 0.3237(9) -0.0607(5) 0.058(3) Uani 1 1 d .
H29A H 0.2187 0.2930 -0.0895 0.070 Uiso 1 1 calc R
H29B H 0.2720 0.4014 -0.0669 0.070 Uiso 1 1 calc R
C30 C 0.5173(7) 0.1413(11) 0.0718(6) 0.054(3) Uani 1 1 d .
C31 C 0.4958(6) 0.0420(11) 0.1103(6) 0.057(3) Uani 1 1 d .
H31A H 0.4696 0.0622 0.1502 0.085 Uiso 1 1 calc R
H31B H 0.5500 0.0018 0.1404 0.085 Uiso 1 1 calc R
H31C H 0.4540 -0.0017 0.0650 0.085 Uiso 1 1 calc R
C32 C 0.5906(7) 0.2073(11) 0.1438(6) 0.070(4) Uani 1 1 d .
H32A H 0.5660 0.2367 0.1824 0.105 Uiso 1 1 calc R
H32B H 0.6109 0.2649 0.1180 0.105 Uiso 1 1 calc R
H32C H 0.6404 0.1611 0.1757 0.105 Uiso 1 1 calc R
C33 C 0.5591(7) 0.1014(11) 0.0127(6) 0.064(4) Uani 1 1 d .
H33A H 0.6114 0.0593 0.0453 0.096 Uiso 1 1 calc R
H33B H 0.5761 0.1617 -0.0132 0.096 Uiso 1 1 calc R
H33C H 0.5166 0.0575 -0.0319 0.096 Uiso 1 1 calc R
C34 C 0.3003(7) 0.3079(9) -0.1978(6) 0.045(3) Uani 1 1 d .
C35 C 0.3562(7) 0.2958(9) -0.2394(7) 0.055(3) Uani 1 1 d .
H35A H 0.4166 0.2827 -0.2053 0.066 Uiso 1 1 calc R
C36 C 0.2503(8) 0.3273(10) -0.3689(6) 0.054(3) Uani 1 1 d .
H36A H 0.2320 0.3336 -0.4287 0.065 Uiso 1 1 calc R
C37 C 0.1897(8) 0.3460(11) -0.3326(7) 0.078(4) Uani 1 1 d .
H37A H 0.1305 0.3632 -0.3679 0.094 Uiso 1 1 calc R
C38 C 0.2154(8) 0.3397(12) -0.2460(6) 0.087(5) Uani 1 1 d .
H38A H 0.1757 0.3566 -0.2203 0.104 Uiso 1 1 calc R
C39 C 1.0388(7) 0.8629(8) 1.2922(6) 0.051(3) Uani 1 1 d .
H39A H 1.0509 0.8955 1.3455 0.061 Uiso 1 1 calc R
C40 C 0.9919(7) 0.7644(11) 1.2728(7) 0.066(3) Uani 1 1 d .
H40A H 1.0243 0.7130 1.3179 0.079 Uiso 1 1 calc R
H40B H 0.9335 0.7755 1.2745 0.079 Uiso 1 1 calc R
C41 C 0.9790(7) 0.7189(9) 1.1932(5) 0.053(3) Uani 1 1 d .
H41A H 0.9502 0.6525 1.1775 0.064 Uiso 1 1 calc R
C42 C 1.0084(6) 0.7710(10) 1.1377(6) 0.041(2) Uani 1 1 d .
C43 C 1.0516(7) 0.8639(9) 1.1623(6) 0.047(3) Uani 1 1 d .
H43A H 1.0729 0.8978 1.1249 0.057 Uiso 1 1 calc R
C44 C 0.9973(7) 0.7203(9) 1.0568(6) 0.047(3) Uani 1 1 d .
C45 C 1.0643(7) 0.7313(9) 1.0249(6) 0.047(3) Uani 1 1 d .
H45A H 1.1165 0.7674 1.0598 0.057 Uiso 1 1 calc R
C46 C 1.0597(7) 0.6939(10) 0.9473(7) 0.051(3) Uani 1 1 d .
C47 C 0.9771(6) 0.6471(8) 0.8901(6) 0.037(2) Uani 1 1 d .
C48 C 0.9119(7) 0.6321(9) 0.9253(6) 0.041(3) Uani 1 1 d .
C49 C 0.9230(7) 0.6685(9) 1.0083(6) 0.047(3) Uani 1 1 d .
H49A H 0.8783 0.6563 1.0287 0.056 Uiso 1 1 calc R
C50 C 1.1376(7) 0.6966(11) 0.9226(7) 0.054(3) Uani 1 1 d .
C51 C 1.1576(7) 0.5796(10) 0.9053(6) 0.066(3) Uani 1 1 d .
H51A H 1.1056 0.5494 0.8598 0.099 Uiso 1 1 calc R
H51B H 1.1722 0.5376 0.9571 0.099 Uiso 1 1 calc R
H51C H 1.2074 0.5787 0.8882 0.099 Uiso 1 1 calc R
C52 C 1.1196(7) 0.7615(11) 0.8445(6) 0.061(3) Uani 1 1 d .
H52A H 1.1046 0.8339 0.8542 0.092 Uiso 1 1 calc R
H52B H 1.0702 0.7306 0.7966 0.092 Uiso 1 1 calc R
H52C H 1.1721 0.7626 0.8315 0.092 Uiso 1 1 calc R
C53 C 1.2215(7) 0.7370(12) 0.9953(7) 0.072(4) Uani 1 1 d .
H53A H 1.2121 0.8097 1.0096 0.108 Uiso 1 1 calc R
H53B H 1.2708 0.7353 0.9775 0.108 Uiso 1 1 calc R
H53C H 1.2351 0.6918 1.0453 0.108 Uiso 1 1 calc R
C54 C 0.8277(7) 0.5800(9) 0.8779(6) 0.048(3) Uani 1 1 d .
H54A H 0.7872 0.5709 0.9040 0.057 Uiso 1 1 calc R
C55 C 0.7157(6) 0.5002(8) 0.7536(5) 0.051(3) Uani 1 1 d .
H55A H 0.6750 0.5607 0.7276 0.061 Uiso 1 1 calc R
C56 C 0.6775(7) 0.4376(10) 0.8093(6) 0.051(3) Uani 1 1 d .
H56A H 0.7174 0.3785 0.8381 0.061 Uiso 1 1 calc R
H56B H 0.6728 0.4847 0.8533 0.061 Uiso 1 1 calc R
C57 C 0.5875(8) 0.3950(10) 0.7536(7) 0.071(4) Uani 1 1 d .
H57A H 0.5455 0.4547 0.7348 0.086 Uiso 1 1 calc R
H57B H 0.5676 0.3470 0.7878 0.086 Uiso 1 1 calc R
C58 C 0.5850(6) 0.3355(8) 0.6754(5) 0.061(3) Uani 1 1 d .
H58A H 0.5230 0.3189 0.6386 0.073 Uiso 1 1 calc R
H58B H 0.6168 0.2678 0.6938 0.073 Uiso 1 1 calc R
C59 C 0.6264(7) 0.3981(10) 0.6228(6) 0.052(3) Uani 1 1 d .
H59A H 0.6294 0.3528 0.5770 0.062 Uiso 1 1 calc R
H59B H 0.5897 0.4605 0.5963 0.062 Uiso 1 1 calc R
C60 C 0.7182(6) 0.4330(8) 0.6813(5) 0.052(2) Uani 1 1 d .
H60A H 0.7529 0.3679 0.7070 0.062 Uiso 1 1 calc R
C61 C 0.7557(7) 0.4877(9) 0.5673(6) 0.050(3) Uani 1 1 d .
H61A H 0.7046 0.4493 0.5330 0.060 Uiso 1 1 calc R
C62 C 0.8077(6) 0.5298(9) 0.5250(5) 0.039(3) Uani 1 1 d .
C63 C 0.8864(7) 0.5879(9) 0.5705(5) 0.047(3) Uani 1 1 d .
C64 C 0.9342(7) 0.6296(10) 0.5250(6) 0.050(3) Uani 1 1 d .
C65 C 0.9049(7) 0.6088(9) 0.4396(6) 0.050(3) Uani 1 1 d .
H65A H 0.9373 0.6360 0.4093 0.060 Uiso 1 1 calc R
C66 C 0.8281(7) 0.5484(11) 0.3949(5) 0.049(3) Uani 1 1 d .
C67 C 0.7825(6) 0.5137(8) 0.4394(5) 0.046(3) Uani 1 1 d .
H67A H 0.7295 0.4757 0.4098 0.055 Uiso 1 1 calc R
C68 C 1.0181(7) 0.6979(10) 0.5692(6) 0.049(3) Uani 1 1 d .
C69 C 1.0885(7) 0.6328(11) 0.6374(6) 0.064(3) Uani 1 1 d .
H69A H 1.0667 0.6108 0.6802 0.096 Uiso 1 1 calc R
H69B H 1.1418 0.6755 0.6644 0.096 Uiso 1 1 calc R
H69C H 1.1022 0.5701 0.6114 0.096 Uiso 1 1 calc R
C70 C 0.9942(7) 0.7959(11) 0.6074(6) 0.062(4) Uani 1 1 d .
H70A H 0.9500 0.8374 0.5621 0.094 Uiso 1 1 calc R
H70B H 1.0470 0.8390 0.6359 0.094 Uiso 1 1 calc R
H70C H 0.9702 0.7743 0.6486 0.094 Uiso 1 1 calc R
C71 C 1.0562(7) 0.7367(11) 0.5047(7) 0.069(4) Uani 1 1 d .
H71A H 1.0129 0.7818 0.4619 0.104 Uiso 1 1 calc R
H71B H 1.0695 0.6756 0.4767 0.104 Uiso 1 1 calc R
H71C H 1.1103 0.7770 0.5348 0.104 Uiso 1 1 calc R
C72 C 0.7979(8) 0.5291(10) 0.3024(7) 0.053(3) Uani 1 1 d .
C73 C 0.8563(8) 0.5443(11) 0.2618(6) 0.070(4) Uani 1 1 d .
H73A H 0.9154 0.5640 0.2953 0.084 Uiso 1 1 calc R
C74 C 0.7477(9) 0.5113(11) 0.1297(7) 0.067(4) Uani 1 1 d .
H74A H 0.7278 0.5106 0.0697 0.080 Uiso 1 1 calc R
C75 C 0.6904(8) 0.4919(11) 0.1633(6) 0.070(4) Uani 1 1 d .
H75A H 0.6323 0.4694 0.1286 0.084 Uiso 1 1 calc R
C76 C 0.7160(8) 0.5047(10) 0.2503(7) 0.063(3) Uani 1 1 d .
H76A H 0.6731 0.4956 0.2735 0.076 Uiso 1 1 calc R
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'
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_3
N3 Co1 O2 92.7(3) .
N3 Co1 O1 173.1(4) .
O2 Co1 O1 86.2(3) .
N3 Co1 N2 86.3(3) .
O2 Co1 N2 168.8(4) .
O1 Co1 N2 93.3(3) .
N3 Co1 N1 95.9(4) 2_656
O2 Co1 N1 96.5(3) 2_656
O1 Co1 N1 90.9(3) 2_656
N2 Co1 N1 94.7(4) 2_656
N7 Co2 N6 86.1(4) .
N7 Co2 O3 176.1(4) .
N6 Co2 O3 92.8(3) .
N7 Co2 O4 93.6(3) .
N6 Co2 O4 165.9(4) .
O3 Co2 O4 86.6(3) .
N7 Co2 N5 91.9(4) 2_747
N6 Co2 N5 96.5(4) 2_747
O3 Co2 N5 91.9(3) 2_747
O4 Co2 N5 97.5(3) 2_747
C9 O1 Co1 128.1(7) .
C25 O2 Co1 129.2(7) .
C47 O3 Co2 130.2(6) .
C63 O4 Co2 128.8(6) .
C1 N1 C5 114.9(10) .
C1 N1 Co1 125.4(7) 2_646
C5 N1 Co1 119.7(7) 2_646
C16 N2 C17 122.9(8) .
C16 N2 Co1 124.7(8) .
C17 N2 Co1 112.3(6) .
C23 N3 C22 119.4(8) .
C23 N3 Co1 128.5(7) .
C22 N3 Co1 112.0(5) .
C35 N4 C36 117.2(8) .
C43 N5 C39 119.8(10) .
C43 N5 Co2 121.1(7) 2_757
C39 N5 Co2 119.1(6) 2_757
C54 N6 C55 117.9(8) .
C54 N6 Co2 129.2(7) .
C55 N6 Co2 112.4(5) .
C61 N7 C60 119.5(9) .
C61 N7 Co2 126.5(7) .
C60 N7 Co2 112.6(5) .
C74 N8 C73 117.5(10) .
C2 C1 N1 123.1(10) .
C1 C2 C3 123.3(10) .
C2 C3 C4 117.6(11) .
C3 C4 C5 115.7(10) .
C3 C4 C6 125.9(11) .
C5 C4 C6 118.3(9) .
N1 C5 C4 125.2(10) .
C11 C6 C7 116.5(9) .
C11 C6 C4 123.2(9) .
C7 C6 C4 119.9(9) .
C8 C7 C6 123.5(10) .
C7 C8 C9 116.6(8) .
C7 C8 C12 121.2(9) .
C9 C8 C12 122.1(9) .
O1 C9 C10 121.9(10) .
O1 C9 C8 117.1(9) .
C10 C9 C8 121.0(8) .
C11 C10 C16 121.5(9) .
C11 C10 C9 117.5(10) .
C16 C10 C9 120.9(9) .
C10 C11 C6 123.7(9) .
C13 C12 C14 110.3(10) .
C13 C12 C8 109.6(10) .
C14 C12 C8 111.7(8) .
C13 C12 C15 108.8(8) .
C14 C12 C15 104.8(10) .
C8 C12 C15 111.6(9) .
N2 C16 C10 129.8(9) .
C18 C17 N2 119.5(8) .
C18 C17 C22 111.0(8) .
N2 C17 C22 105.7(7) .
C17 C18 C19 110.2(8) .
C20 C19 C18 112.4(8) .
C19 C20 C21 111.7(8) .
C22 C21 C20 108.5(8) .
C17 C22 C21 112.9(8) .
C17 C22 N3 109.3(7) .
C21 C22 N3 116.8(7) .
N3 C23 C24 122.1(10) .
C25 C24 C29 124.6(9) .
C25 C24 C23 123.9(9) .
C29 C24 C23 111.4(10) .
O2 C25 C24 122.4(9) .
O2 C25 C26 121.0(9) .
C24 C25 C26 116.5(9) .
C27 C26 C25 117.5(10) .
C27 C26 C30 123.9(9) .
C25 C26 C30 118.6(8) .
C28 C27 C26 126.8(10) .
C27 C28 C29 117.2(9) .
C27 C28 C34 123.0(8) .
C29 C28 C34 119.8(9) .
C28 C29 C24 117.4(10) .
C26 C30 C33 112.7(9) .
C26 C30 C31 111.8(8) .
C33 C30 C31 105.2(10) .
C26 C30 C32 110.8(10) .
C33 C30 C32 106.6(8) .
C31 C30 C32 109.5(9) .
C38 C34 C35 117.1(9) .
C38 C34 C28 121.4(8) .
C35 C34 C28 121.5(9) .
N4 C35 C34 125.7(10) .
N4 C36 C37 121.3(9) .
C38 C37 C36 120.4(11) .
C34 C38 C37 117.8(10) .
N5 C39 C40 121.7(9) .
C41 C40 C39 115.9(10) .
C42 C41 C40 120.4(11) .
C43 C42 C41 118.8(10) .
C43 C42 C44 121.6(9) .
C41 C42 C44 119.4(11) .
N5 C43 C42 123.4(10) .
C49 C44 C45 117.9(9) .
C49 C44 C42 122.2(9) .
C45 C44 C42 119.8(10) .
C46 C45 C44 125.6(11) .
C45 C46 C47 117.7(9) .
C45 C46 C50 122.4(10) .
C47 C46 C50 119.9(9) .
O3 C47 C48 123.2(8) .
O3 C47 C46 121.2(7) .
C48 C47 C46 115.4(9) .
C49 C48 C47 123.4(9) .
C49 C48 C54 114.4(8) .
C47 C48 C54 122.1(8) .
C44 C49 C48 119.5(9) .
C52 C50 C46 112.1(9) .
C52 C50 C53 109.7(10) .
C46 C50 C53 112.0(9) .
C52 C50 C51 109.2(9) .
C46 C50 C51 107.4(10) .
C53 C50 C51 106.1(10) .
N6 C54 C48 121.7(9) .
N6 C55 C60 107.3(7) .
N6 C55 C56 115.7(7) .
C60 C55 C56 111.6(8) .
C57 C56 C55 109.4(8) .
C56 C57 C58 114.0(9) .
C57 C58 C59 113.4(9) .
C60 C59 C58 108.8(8) .
N7 C60 C59 119.1(7) .
N7 C60 C55 104.0(7) .
C59 C60 C55 111.0(8) .
N7 C61 C62 127.4(10) .
C67 C62 C63 118.9(8) .
C67 C62 C61 120.0(9) .
C63 C62 C61 121.1(8) .
O4 C63 C64 118.9(9) .
O4 C63 C62 122.5(8) .
C64 C63 C62 118.6(8) .
C65 C64 C63 118.7(10) .
C65 C64 C68 119.6(8) .
C63 C64 C68 121.8(9) .
C64 C65 C66 122.6(9) .
C67 C66 C65 117.0(8) .
C67 C66 C72 122.0(10) .
C65 C66 C72 120.9(9) .
C66 C67 C62 124.1(9) .
C69 C68 C70 111.0(8) .
C69 C68 C64 109.5(10) .
C70 C68 C64 109.1(8) .
C69 C68 C71 108.4(9) .
C70 C68 C71 107.4(10) .
C64 C68 C71 111.5(8) .
C76 C72 C73 114.5(10) .
C76 C72 C66 125.2(10) .
C73 C72 C66 120.2(10) .
N8 C73 C72 122.8(11) .
N8 C74 C75 123.0(11) .
C74 C75 C76 119.0(12) .
C72 C76 C75 122.9(11) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N3 1.866(8) .
Co1 O2 1.871(6) .
Co1 O1 1.877(8) .
Co1 N2 1.896(7) .
Co1 N1 2.118(9) 2_656
Co2 N7 1.857(9) .
Co2 N6 1.859(7) .
Co2 O3 1.882(7) .
Co2 O4 1.899(6) .
Co2 N5 2.118(9) 2_747
O1 C9 1.363(9) .
O2 C25 1.291(10) .
O3 C47 1.239(9) .
O4 C63 1.314(8) .
N1 C1 1.325(12) .
N1 C5 1.329(12) .
N1 Co1 2.118(9) 2_646
N2 C16 1.258(11) .
N2 C17 1.472(12) .
N3 C23 1.292(10) .
N3 C22 1.521(10) .
N4 C35 1.308(10) .
N4 C36 1.328(13) .
N5 C43 1.338(11) .
N5 C39 1.348(12) .
N5 Co2 2.118(9) 2_757
N6 C54 1.316(10) .
N6 C55 1.506(11) .
N7 C61 1.287(10) .
N7 C60 1.468(11) .
N8 C74 1.312(14) .
N8 C73 1.379(11) .
C1 C2 1.301(15) .
C2 C3 1.347(12) .
C3 C4 1.362(12) .
C4 C5 1.402(15) .
C4 C6 1.486(12) .
C6 C11 1.373(14) .
C6 C7 1.409(12) .
C7 C8 1.368(11) .
C8 C9 1.418(13) .
C8 C12 1.552(12) .
C9 C10 1.415(13) .
C10 C11 1.365(12) .
C10 C16 1.404(14) .
C12 C13 1.502(16) .
C12 C14 1.536(14) .
C12 C15 1.565(14) .
C17 C18 1.455(12) .
C17 C22 1.496(11) .
C18 C19 1.520(14) .
C19 C20 1.487(12) .
C20 C21 1.527(12) .
C21 C22 1.509(13) .
C23 C24 1.454(13) .
C24 C25 1.392(14) .
C24 C29 1.447(11) .
C25 C26 1.468(12) .
C26 C27 1.391(12) .
C26 C30 1.485(15) .
C27 C28 1.379(14) .
C28 C29 1.436(12) .
C28 C34 1.489(11) .
C30 C33 1.525(12) .
C30 C31 1.527(16) .
C30 C32 1.582(14) .
C34 C38 1.376(14) .
C34 C35 1.386(11) .
C36 C37 1.398(13) .
C37 C38 1.377(12) .
C39 C40 1.436(15) .
C40 C41 1.418(12) .
C41 C42 1.397(12) .
C42 C43 1.353(15) .
C42 C44 1.474(13) .
C44 C49 1.349(14) .
C44 C45 1.427(13) .
C45 C46 1.387(12) .
C46 C47 1.454(13) .
C46 C50 1.511(13) .
C47 C48 1.447(12) .
C48 C49 1.437(12) .
C48 C54 1.461(14) .
C50 C52 1.498(14) .
C50 C53 1.538(14) .
C50 C51 1.571(17) .
C55 C60 1.519(11) .
C55 C56 1.556(11) .
C56 C57 1.513(14) .
C57 C58 1.525(12) .
C58 C59 1.552(12) .
C59 C60 1.515(12) .
C61 C62 1.432(12) .
C62 C67 1.375(10) .
C62 C63 1.427(13) .
C63 C64 1.418(12) .
C64 C65 1.374(12) .
C64 C68 1.553(14) .
C65 C66 1.419(15) .
C66 C67 1.344(12) .
C66 C72 1.483(12) .
C68 C69 1.523(15) .
C68 C70 1.528(16) .
C68 C71 1.557(12) .
C72 C76 1.329(14) .
C72 C73 1.414(13) .
C74 C75 1.316(14) .
C75 C76 1.390(12) .
