#------------------------------------------------------------------------------
#$Date: 2015-12-06 07:56:47 +0200 (Sun, 06 Dec 2015) $
#$Revision: 170779 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/36/4513674.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_4513674
loop_
_publ_author_name
'Si, Chang-Dai'
'Hu, Dong-Cheng'
'Fan, Yan'
'Dong, Xiu-Yan'
'Yao, Xiao-Qiang'
'Yang, Yun-Xia'
'Liu, Jia-Cheng'
_publ_section_title
;
 Three-Dimensional Supramolecular Architectures with CoIIIons Assembled
 from Hydrogen Bonding and π···π Stacking
 Interactions: Crystal Structures and Antiferromagnetic Properties
;
_journal_issue                   12
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5781
_journal_paper_doi               10.1021/acs.cgd.5b01124
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'C37 H28 Co2 N4 O10'
_chemical_formula_weight         806.49
_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                85.741(15)
_cell_angle_beta                 75.085(10)
_cell_angle_gamma                76.445(13)
_cell_formula_units_Z            2
_cell_length_a                   8.8481(9)
_cell_length_b                   12.215(3)
_cell_length_c                   15.904(2)
_cell_measurement_reflns_used    2726
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.4420
_cell_measurement_theta_min      3.6560
_cell_volume                     1614.5(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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_detector_area_resol_mean 16.0733
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'φ and ω 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  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0940
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10931
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         3.06
_diffrn_standards_number         12103
_exptl_absorpt_coefficient_mu    1.098
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90278
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'clear light purple'
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             822
_exptl_crystal_size_max          0.1900
_exptl_crystal_size_mid          0.1700
_exptl_crystal_size_min          0.0400
_refine_diff_density_max         0.646
_refine_diff_density_min         -0.576
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     486
_refine_ls_number_reflns         6338
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0526
_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)+(0.0387P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1294
_reflns_number_gt                4493
_reflns_number_total             6338
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b01124_si_001.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 4513672--4513676.cif.'
_cod_database_code               4513674
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
Co1 Co 0.53710(6) 0.45593(5) 0.09110(3) 0.02069(15) Uani 1 1 d .
Co2 Co 0.40432(6) 0.27393(5) -0.01848(3) 0.02408(16) Uani 1 1 d .
O1 O 0.3193(3) 0.5632(2) 0.16046(16) 0.0273(7) Uani 1 1 d .
O2 O 0.1192(3) 0.4876(3) 0.2404(2) 0.0483(9) Uani 1 1 d .
O3 O -0.3524(3) 0.8258(2) 0.29010(17) 0.0271(7) Uani 1 1 d .
O8 O 0.4015(3) 0.4245(2) 0.01329(16) 0.0234(6) Uani 1 1 d .
O9 O 0.1385(3) 0.3285(3) 0.00318(19) 0.0447(9) Uani 1 1 d .
H9A H 0.1072 0.3593 -0.0472 0.067 Uiso 1 1 d R
H9B H 0.0897 0.3850 0.0455 0.067 Uiso 1 1 d R
N1 N 0.5349(4) 0.3211(3) 0.18078(19) 0.0256(8) Uani 1 1 d .
N2 N 0.4492(4) 0.2125(3) 0.29105(19) 0.0240(8) Uani 1 1 d .
N3 N 0.3688(4) 0.1476(3) 0.0694(2) 0.0265(8) Uani 1 1 d .
N4 N 0.2690(4) 0.0403(3) 0.17734(19) 0.0246(8) Uani 1 1 d .
C1 C 0.1733(4) 0.5645(4) 0.1950(3) 0.0265(10) Uani 1 1 d .
C2 C 0.0548(4) 0.6711(3) 0.1815(2) 0.0225(9) Uani 1 1 d .
C3 C 0.0943(4) 0.7474(4) 0.1135(2) 0.0229(9) Uani 1 1 d .
C4 C -0.0140(5) 0.8490(4) 0.1106(3) 0.0277(10) Uani 1 1 d .
H4 H 0.0135 0.9017 0.0676 0.033 Uiso 1 1 calc R
C5 C -0.1611(5) 0.8743(4) 0.1694(3) 0.0298(10) Uani 1 1 d .
H5 H -0.2319 0.9431 0.1661 0.036 Uiso 1 1 calc R
C6 C -0.2020(4) 0.7960(3) 0.2332(2) 0.0235(9) Uani 1 1 d .
C7 C -0.0952(4) 0.6953(3) 0.2401(2) 0.0252(9) Uani 1 1 d .
H7 H -0.1236 0.6436 0.2838 0.030 Uiso 1 1 calc R
C8 C -0.4280(4) 0.7418(3) 0.3341(2) 0.0222(9) Uani 1 1 d .
C9 C -0.4823(4) 0.7502(4) 0.4218(2) 0.0271(10) Uani 1 1 d .
H9 H -0.4536 0.8030 0.4502 0.033 Uiso 1 1 calc R
C10 C -0.5810(5) 0.6811(4) 0.4712(3) 0.0295(10) Uani 1 1 d .
C11 C -0.6471(5) 0.6919(4) 0.5621(3) 0.0403(12) Uani 1 1 d .
H11 H -0.6220 0.7450 0.5921 0.048 Uiso 1 1 calc R
C12 C -0.7470(6) 0.6257(5) 0.6065(3) 0.0464(14) Uani 1 1 d .
H12 H -0.7874 0.6333 0.6664 0.056 Uiso 1 1 calc R
C13 C -0.7894(6) 0.5466(5) 0.5630(3) 0.0511(15) Uani 1 1 d .
H13 H -0.8607 0.5038 0.5935 0.061 Uiso 1 1 calc R
C14 C -0.7254(5) 0.5324(4) 0.4752(3) 0.0400(12) Uani 1 1 d .
H14 H -0.7525 0.4787 0.4468 0.048 Uiso 1 1 calc R
C15 C -0.6188(5) 0.5977(4) 0.4272(2) 0.0269(9) Uani 1 1 d .
C20 C 0.4107(5) 0.3048(4) 0.2427(2) 0.0269(9) Uani 1 1 d .
H20 H 0.3087 0.3516 0.2519 0.032 Uiso 1 1 calc R
C21 C 0.6611(5) 0.2350(4) 0.1901(2) 0.0277(10) Uani 1 1 d .
H21 H 0.7651 0.2246 0.1551 0.033 Uiso 1 1 calc R
C22 C 0.6109(4) 0.1674(4) 0.2578(2) 0.0280(10) Uani 1 1 d .
H22 H 0.6727 0.1035 0.2780 0.034 Uiso 1 1 calc R
C23 C 0.3451(5) 0.1762(4) 0.3673(2) 0.0256(9) Uani 1 1 d .
C24 C 0.2055(5) 0.2495(4) 0.4086(3) 0.0364(11) Uani 1 1 d .
H24 H 0.1773 0.3217 0.3860 0.044 Uiso 1 1 calc R
C25 C 0.1081(5) 0.2150(4) 0.4836(3) 0.0371(11) Uani 1 1 d .
H25 H 0.0142 0.2652 0.5105 0.045 Uiso 1 1 calc R
C26 C 0.1448(5) 0.1083(4) 0.5205(3) 0.0278(10) Uani 1 1 d .
C27 C 0.2849(5) 0.0365(4) 0.4765(3) 0.0400(12) Uani 1 1 d .
H27 H 0.3127 -0.0362 0.4984 0.048 Uiso 1 1 calc R
C28 C 0.3847(5) 0.0691(4) 0.4011(3) 0.0390(12) Uani 1 1 d .
H28 H 0.4779 0.0189 0.3735 0.047 Uiso 1 1 calc R
C29 C 0.2379(5) 0.1313(4) 0.1263(3) 0.0307(10) Uani 1 1 d .
H29 H 0.1363 0.1772 0.1305 0.037 Uiso 1 1 calc R
C30 C 0.4918(5) 0.0619(4) 0.0857(2) 0.0280(10) Uani 1 1 d .
H30 H 0.5992 0.0523 0.0560 0.034 Uiso 1 1 calc R
C31 C 0.4327(5) -0.0056(4) 0.1510(3) 0.0302(10) Uani 1 1 d .
H31 H 0.4899 -0.0697 0.1736 0.036 Uiso 1 1 calc R
C32 C 0.1614(4) 0.0016(4) 0.2497(2) 0.0257(9) Uani 1 1 d .
C33 C 0.0387(5) 0.0788(4) 0.3009(3) 0.0351(11) Uani 1 1 d .
H33 H 0.0220 0.1550 0.2860 0.042 Uiso 1 1 calc R
C34 C -0.0590(5) 0.0412(4) 0.3746(3) 0.0364(11) Uani 1 1 d .
H34 H -0.1404 0.0937 0.4092 0.044 Uiso 1 1 calc R
C35 C -0.0404(5) -0.0713(4) 0.3986(3) 0.0267(9) Uani 1 1 d .
C36 C 0.0843(5) -0.1469(4) 0.3455(3) 0.0318(10) Uani 1 1 d .
H36 H 0.1014 -0.2231 0.3602 0.038 Uiso 1 1 calc R
C37 C 0.1833(5) -0.1116(4) 0.2713(3) 0.0308(10) Uani 1 1 d .
H37 H 0.2642 -0.1638 0.2362 0.037 Uiso 1 1 calc R
O10 O -0.0540(4) 0.3849(3) 0.1638(2) 0.0534(10) Uani 1 1 d G
H10A H -0.0051 0.4176 0.1902 0.080 Uiso 1 1 d G
H10B H -0.1427 0.4286 0.1607 0.080 Uiso 1 1 d G
H8 H 0.310(5) 0.460(4) 0.030(3) 0.044(15) Uiso 1 1 d .
O16 O -0.3534(3) 0.5392(2) 0.16493(16) 0.0259(7) Uani 1 1 d .
C17 C -0.4563(4) 0.6544(3) 0.2896(2) 0.0215(9) Uani 1 1 d .
C18 C -0.4025(4) 0.6395(4) 0.1925(2) 0.0242(9) Uani 1 1 d .
O6 O -0.4172(3) 0.7266(2) 0.14575(16) 0.0287(7) Uani 1 1 d .
C16 C -0.5496(4) 0.5837(4) 0.3365(2) 0.0260(9) Uani 1 1 d .
C19 C 0.2473(4) 0.7197(3) 0.0427(2) 0.0232(9) Uani 1 1 d .
O4 O 0.2537(3) 0.6449(2) -0.00930(17) 0.0282(7) Uani 1 1 d .
O5 O 0.3490(3) 0.7773(2) 0.03912(18) 0.0332(7) 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'
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
O8 Co1 N1 103.07(12) . .
O8 Co1 O4 89.94(11) . 2_665
N1 Co1 O4 88.19(11) . 2_665
O8 Co1 O16 163.00(11) . 1_655
N1 Co1 O16 91.07(12) . 1_655
O4 Co1 O16 100.03(10) 2_665 1_655
O8 Co1 O1 85.14(10) . .
N1 Co1 O1 96.62(11) . .
O4 Co1 O1 173.78(10) 2_665 .
O16 Co1 O1 83.87(10) 1_655 .
O8 Co1 O8 81.78(12) . 2_665
N1 Co1 O8 166.41(11) . 2_665
O4 Co1 O8 79.05(11) 2_665 2_665
O16 Co1 O8 86.60(11) 1_655 2_665
O1 Co1 O8 96.44(11) . 2_665
O8 Co2 O6 108.64(12) . 2_565
O8 Co2 N3 123.50(12) . .
O6 Co2 N3 127.38(13) 2_565 .
O8 Co2 O5 92.99(12) . 2_665
O6 Co2 O5 92.14(11) 2_565 2_665
N3 Co2 O5 91.88(12) . 2_665
O8 Co2 O9 87.27(12) . .
O6 Co2 O9 87.61(11) 2_565 .
N3 Co2 O9 88.12(13) . .
O5 Co2 O9 179.69(12) 2_665 .
C1 O1 Co1 141.9(3) . .
C6 O3 C8 119.8(3) . .
Co2 O8 Co1 122.90(14) . .
Co2 O8 Co1 117.87(12) . 2_665
Co1 O8 Co1 98.22(12) . 2_665
Co2 O8 H8 110(3) . .
Co1 O8 H8 110(3) . .
Co1 O8 H8 94(3) 2_665 .
Co2 O9 H9A 112.6 . .
Co2 O9 H9B 114.2 . .
H9A O9 H9B 104.7 . .
C20 N1 C21 105.8(3) . .
C20 N1 Co1 126.1(3) . .
C21 N1 Co1 128.1(3) . .
C20 N2 C22 106.6(3) . .
C20 N2 C23 125.7(3) . .
C22 N2 C23 127.4(3) . .
C29 N3 C30 105.3(3) . .
C29 N3 Co2 130.9(3) . .
C30 N3 Co2 123.5(2) . .
C29 N4 C31 106.9(3) . .
C29 N4 C32 127.9(3) . .
C31 N4 C32 125.0(3) . .
O2 C1 O1 126.3(4) . .
O2 C1 C2 117.6(3) . .
O1 C1 C2 116.0(4) . .
C7 C2 C3 119.8(4) . .
C7 C2 C1 118.6(4) . .
C3 C2 C1 121.6(3) . .
C4 C3 C2 118.3(3) . .
C4 C3 C19 119.8(4) . .
C2 C3 C19 121.8(4) . .
C5 C4 C3 122.0(4) . .
C5 C4 H4 119.0 . .
C3 C4 H4 119.0 . .
C4 C5 C6 119.0(4) . .
C4 C5 H5 120.5 . .
C6 C5 H5 120.5 . .
C5 C6 C7 120.8(3) . .
C5 C6 O3 116.4(3) . .
C7 C6 O3 122.8(4) . .
C6 C7 C2 119.9(4) . .
C6 C7 H7 120.0 . .
C2 C7 H7 120.0 . .
C9 C8 O3 117.0(4) . .
C9 C8 C17 120.4(4) . .
O3 C8 C17 122.4(3) . .
C8 C9 C10 121.9(4) . .
C8 C9 H9 119.1 . .
C10 C9 H9 119.1 . .
C9 C10 C11 123.3(4) . .
C9 C10 C15 118.4(4) . .
C11 C10 C15 118.3(4) . .
C12 C11 C10 121.1(5) . .
C12 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
C11 C12 C13 120.8(4) . .
C11 C12 H12 119.6 . .
C13 C12 H12 119.6 . .
C14 C13 C12 119.7(5) . .
C14 C13 H13 120.2 . .
C12 C13 H13 120.2 . .
C13 C14 C15 121.2(5) . .
C13 C14 H14 119.4 . .
C15 C14 H14 119.4 . .
C14 C15 C16 122.2(4) . .
C14 C15 C10 118.9(4) . .
C16 C15 C10 118.9(4) . .
N1 C20 N2 111.8(3) . .
N1 C20 H20 124.1 . .
N2 C20 H20 124.1 . .
C22 C21 N1 109.6(3) . .
C22 C21 H21 125.2 . .
N1 C21 H21 125.2 . .
C21 C22 N2 106.3(4) . .
C21 C22 H22 126.9 . .
N2 C22 H22 126.9 . .
C28 C23 C24 119.4(4) . .
C28 C23 N2 120.5(4) . .
C24 C23 N2 120.0(4) . .
C25 C24 C23 119.7(4) . .
C25 C24 H24 120.1 . .
C23 C24 H24 120.1 . .
C24 C25 C26 122.6(4) . .
C24 C25 H25 118.7 . .
C26 C25 H25 118.7 . .
C27 C26 C25 116.0(4) . .
C27 C26 C35 121.4(4) . 2_556
C25 C26 C35 122.6(4) . 2_556
C28 C27 C26 122.5(4) . .
C28 C27 H27 118.8 . .
C26 C27 H27 118.8 . .
C23 C28 C27 119.7(4) . .
C23 C28 H28 120.1 . .
C27 C28 H28 120.1 . .
N3 C29 N4 111.9(4) . .
N3 C29 H29 124.1 . .
N4 C29 H29 124.1 . .
C31 C30 N3 110.0(3) . .
C31 C30 H30 125.0 . .
N3 C30 H30 125.0 . .
C30 C31 N4 105.9(4) . .
C30 C31 H31 127.0 . .
N4 C31 H31 127.0 . .
C37 C32 C33 120.1(4) . .
C37 C32 N4 120.5(3) . .
C33 C32 N4 119.4(4) . .
C32 C33 C34 119.1(4) . .
C32 C33 H33 120.5 . .
C34 C33 H33 120.5 . .
C35 C34 C33 122.6(4) . .
C35 C34 H34 118.7 . .
C33 C34 H34 118.7 . .
C34 C35 C36 116.8(4) . .
C34 C35 C26 121.1(4) . 2_556
C36 C35 C26 122.1(4) . 2_556
C37 C36 C35 121.8(4) . .
C37 C36 H36 119.1 . .
C35 C36 H36 119.1 . .
C32 C37 C36 119.7(4) . .
C32 C37 H37 120.2 . .
C36 C37 H37 120.2 . .
H10A O10 H10B 109.5 . .
C18 O16 Co1 126.9(2) . 1_455
C16 C17 C8 118.7(3) . .
C16 C17 C18 116.9(4) . .
C8 C17 C18 124.1(4) . .
O6 C18 O16 125.5(4) . .
O6 C18 C17 117.3(3) . .
O16 C18 C17 117.1(4) . .
C18 O6 Co2 124.0(3) . 2_565
C17 C16 C15 121.3(4) . .
O5 C19 O4 127.4(3) . .
O5 C19 C3 117.0(4) . .
O4 C19 C3 115.4(4) . .
C19 O4 Co1 127.7(2) . 2_665
C19 O5 Co2 129.4(3) . 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O8 2.042(3) .
Co1 N1 2.097(3) .
Co1 O4 2.136(2) 2_665
Co1 O16 2.139(3) 1_655
Co1 O1 2.141(2) .
Co1 O8 2.175(3) 2_665
Co2 O8 1.936(3) .
Co2 O6 1.998(3) 2_565
Co2 N3 2.029(3) .
Co2 O5 2.070(3) 2_665
Co2 O9 2.231(3) .
O1 C1 1.264(4) .
O2 C1 1.251(5) .
O3 C6 1.387(4) .
O3 C8 1.402(5) .
O8 Co1 2.175(3) 2_665
O8 H8 0.81(4) .
O9 H9A 0.9390 .
O9 H9B 0.9460 .
N1 C20 1.316(5) .
N1 C21 1.373(5) .
N2 C20 1.343(5) .
N2 C22 1.383(5) .
N2 C23 1.432(5) .
N3 C29 1.320(5) .
N3 C30 1.384(5) .
N4 C29 1.344(5) .
N4 C31 1.390(5) .
N4 C32 1.422(5) .
C1 C2 1.508(5) .
C2 C7 1.392(5) .
C2 C3 1.403(5) .
C3 C4 1.385(5) .
C3 C19 1.507(5) .
C4 C5 1.375(5) .
C4 H4 0.9300 .
C5 C6 1.380(6) .
C5 H5 0.9300 .
C6 C7 1.382(5) .
C7 H7 0.9300 .
C8 C9 1.357(5) .
C8 C17 1.426(5) .
C9 C10 1.408(6) .
C9 H9 0.9300 .
C10 C11 1.418(5) .
C10 C15 1.422(6) .
C11 C12 1.365(7) .
C11 H11 0.9300 .
C12 C13 1.398(7) .
C12 H12 0.9300 .
C13 C14 1.372(6) .
C13 H13 0.9300 .
C14 C15 1.414(6) .
C14 H14 0.9300 .
C15 C16 1.421(5) .
C20 H20 0.9300 .
C21 C22 1.354(6) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C28 1.379(6) .
C23 C24 1.382(5) .
C24 C25 1.382(6) .
C24 H24 0.9300 .
C25 C26 1.391(6) .
C25 H25 0.9300 .
C26 C27 1.390(5) .
C26 C35 1.486(5) 2_556
C27 C28 1.387(6) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C31 1.352(6) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 C37 1.380(6) .
C32 C33 1.382(5) .
C33 C34 1.385(5) .
C33 H33 0.9300 .
C34 C35 1.383(6) .
C34 H34 0.9300 .
C35 C36 1.394(5) .
C35 C26 1.486(5) 2_556
C36 C37 1.383(5) .
C36 H36 0.9300 .
C37 H37 0.9300 .
O10 H10A 0.8496 .
O10 H10B 0.8499 .
O16 C18 1.271(5) .
O16 Co1 2.139(3) 1_455
C17 C16 1.381(5) .
C17 C18 1.506(5) .
C18 O6 1.252(5) .
O6 Co2 1.998(3) 2_565
C19 O5 1.254(5) .
C19 O4 1.260(5) .
O4 Co1 2.136(2) 2_665
O5 Co2 2.070(3) 2_665
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O8 Co1 O1 C1 49.6(4) . .
N1 Co1 O1 C1 -53.1(4) . .
O4 Co1 O1 C1 87.4(12) 2_665 .
O16 Co1 O1 C1 -143.4(4) 1_655 .
O8 Co1 O1 C1 130.7(4) 2_665 .
O6 Co2 O8 Co1 -135.13(14) 2_565 .
N3 Co2 O8 Co1 52.4(2) . .
O5 Co2 O8 Co1 -41.85(17) 2_665 .
O9 Co2 O8 Co1 138.32(16) . .
O6 Co2 O8 Co1 -12.80(18) 2_565 2_665
N3 Co2 O8 Co1 174.72(13) . 2_665
O5 Co2 O8 Co1 80.48(15) 2_665 2_665
O9 Co2 O8 Co1 -99.34(15) . 2_665
N1 Co1 O8 Co2 -36.07(17) . .
O4 Co1 O8 Co2 52.05(16) 2_665 .
O16 Co1 O8 Co2 178.4(3) 1_655 .
O1 Co1 O8 Co2 -131.76(16) . .
O8 Co1 O8 Co2 131.0(2) 2_665 .
N1 Co1 O8 Co1 -167.07(11) . 2_665
O4 Co1 O8 Co1 -78.95(11) 2_665 2_665
O16 Co1 O8 Co1 47.4(4) 1_655 2_665
O1 Co1 O8 Co1 97.24(12) . 2_665
O8 Co1 O8 Co1 0.0 2_665 2_665
O8 Co1 N1 C20 -70.0(4) . .
O4 Co1 N1 C20 -159.5(4) 2_665 .
O16 Co1 N1 C20 100.5(3) 1_655 .
O1 Co1 N1 C20 16.6(4) . .
O8 Co1 N1 C20 -179.5(4) 2_665 .
O8 Co1 N1 C21 113.0(3) . .
O4 Co1 N1 C21 23.5(3) 2_665 .
O16 Co1 N1 C21 -76.5(3) 1_655 .
O1 Co1 N1 C21 -160.5(3) . .
O8 Co1 N1 C21 3.4(7) 2_665 .
O8 Co2 N3 C29 71.7(4) . .
O6 Co2 N3 C29 -99.3(4) 2_565 .
O5 Co2 N3 C29 166.5(4) 2_665 .
O9 Co2 N3 C29 -13.8(4) . .
O8 Co2 N3 C30 -102.2(3) . .
O6 Co2 N3 C30 86.8(3) 2_565 .
O5 Co2 N3 C30 -7.4(3) 2_665 .
O9 Co2 N3 C30 172.3(3) . .
Co1 O1 C1 O2 42.5(7) . .
Co1 O1 C1 C2 -139.4(3) . .
O2 C1 C2 C7 20.7(6) . .
O1 C1 C2 C7 -157.6(4) . .
O2 C1 C2 C3 -161.4(4) . .
O1 C1 C2 C3 20.3(6) . .
C7 C2 C3 C4 4.6(6) . .
C1 C2 C3 C4 -173.3(4) . .
C7 C2 C3 C19 -173.1(4) . .
C1 C2 C3 C19 9.0(6) . .
C2 C3 C4 C5 -3.4(6) . .
C19 C3 C4 C5 174.4(4) . .
C3 C4 C5 C6 -0.1(7) . .
C4 C5 C6 C7 2.2(6) . .
C4 C5 C6 O3 -179.5(4) . .
C8 O3 C6 C5 156.3(4) . .
C8 O3 C6 C7 -25.5(5) . .
C5 C6 C7 C2 -0.9(6) . .
O3 C6 C7 C2 -179.1(4) . .
C3 C2 C7 C6 -2.6(6) . .
C1 C2 C7 C6 175.4(4) . .
C6 O3 C8 C9 128.1(4) . .
C6 O3 C8 C17 -55.6(5) . .
O3 C8 C9 C10 170.2(4) . .
C17 C8 C9 C10 -6.3(6) . .
C8 C9 C10 C11 -176.3(4) . .
C8 C9 C10 C15 2.4(6) . .
C9 C10 C11 C12 177.5(4) . .
C15 C10 C11 C12 -1.2(6) . .
C10 C11 C12 C13 -1.2(7) . .
C11 C12 C13 C14 2.4(7) . .
C12 C13 C14 C15 -1.1(7) . .
C13 C14 C15 C16 179.3(4) . .
C13 C14 C15 C10 -1.3(7) . .
C9 C10 C15 C14 -176.3(4) . .
C11 C10 C15 C14 2.4(6) . .
C9 C10 C15 C16 3.1(6) . .
C11 C10 C15 C16 -178.2(4) . .
C21 N1 C20 N2 -0.5(5) . .
Co1 N1 C20 N2 -178.1(3) . .
C22 N2 C20 N1 0.7(5) . .
C23 N2 C20 N1 175.0(4) . .
C20 N1 C21 C22 0.1(5) . .
Co1 N1 C21 C22 177.6(3) . .
N1 C21 C22 N2 0.3(5) . .
C20 N2 C22 C21 -0.6(5) . .
C23 N2 C22 C21 -174.8(4) . .
C20 N2 C23 C28 166.3(4) . .
C22 N2 C23 C28 -20.6(7) . .
C20 N2 C23 C24 -15.1(6) . .
C22 N2 C23 C24 157.9(4) . .
C28 C23 C24 C25 0.6(7) . .
N2 C23 C24 C25 -178.0(4) . .
C23 C24 C25 C26 0.4(8) . .
C24 C25 C26 C27 -1.2(7) . .
C24 C25 C26 C35 179.8(4) . 2_556
C25 C26 C27 C28 1.2(7) . .
C35 C26 C27 C28 -179.8(5) 2_556 .
C24 C23 C28 C27 -0.5(7) . .
N2 C23 C28 C27 178.0(4) . .
C26 C27 C28 C23 -0.4(8) . .
C30 N3 C29 N4 -0.5(5) . .
Co2 N3 C29 N4 -175.2(3) . .
C31 N4 C29 N3 -0.2(5) . .
C32 N4 C29 N3 174.7(4) . .
C29 N3 C30 C31 1.0(5) . .
Co2 N3 C30 C31 176.2(3) . .
N3 C30 C31 N4 -1.2(5) . .
C29 N4 C31 C30 0.9(5) . .
C32 N4 C31 C30 -174.3(4) . .
C29 N4 C32 C37 151.0(4) . .
C31 N4 C32 C37 -34.9(6) . .
C29 N4 C32 C33 -31.9(6) . .
C31 N4 C32 C33 142.2(4) . .
C37 C32 C33 C34 1.3(7) . .
N4 C32 C33 C34 -175.8(4) . .
C32 C33 C34 C35 -1.0(7) . .
C33 C34 C35 C36 0.8(7) . .
C33 C34 C35 C26 178.4(4) . 2_556
C34 C35 C36 C37 -1.0(7) . .
C26 C35 C36 C37 -178.6(4) 2_556 .
C33 C32 C37 C36 -1.5(7) . .
N4 C32 C37 C36 175.5(4) . .
C35 C36 C37 C32 1.4(7) . .
C9 C8 C17 C16 4.6(6) . .
O3 C8 C17 C16 -171.7(3) . .
C9 C8 C17 C18 179.2(3) . .
O3 C8 C17 C18 2.9(6) . .
Co1 O16 C18 O6 -61.6(5) 1_455 .
Co1 O16 C18 C17 114.7(3) 1_455 .
C16 C17 C18 O6 133.7(4) . .
C8 C17 C18 O6 -41.0(5) . .
C16 C17 C18 O16 -42.9(5) . .
C8 C17 C18 O16 142.4(4) . .
O16 C18 O6 Co2 11.5(6) . 2_565
C17 C18 O6 Co2 -164.7(2) . 2_565
C8 C17 C16 C15 0.9(6) . .
C18 C17 C16 C15 -174.1(3) . .
C14 C15 C16 C17 174.7(4) . .
C10 C15 C16 C17 -4.7(6) . .
C4 C3 C19 O5 68.0(5) . .
C2 C3 C19 O5 -114.3(4) . .
C4 C3 C19 O4 -108.2(4) . .
C2 C3 C19 O4 69.5(5) . .
O5 C19 O4 Co1 25.2(6) . 2_665
C3 C19 O4 Co1 -159.1(3) . 2_665
O4 C19 O5 Co2 -47.1(6) . 2_665
C3 C19 O5 Co2 137.3(3) . 2_665
