#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:07:04 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180412 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/81/7208107.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_7208107
loop_
_publ_author_name
'Zhao, Fanghua'
'Jing, Shuai'
'Che, Yunxia'
'Zheng, Jimin'
_publ_section_title
;
 Metal--ligand ratio-controlled assembly of two pairs of Co(ii) complexes:
 syntheses, structures and magnetic properties
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              4478
_journal_paper_doi               10.1039/c2ce25272d
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C37 H31 Co2 N8 O8'
_chemical_formula_weight         833.56
_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                107.1090(10)
_cell_angle_beta                 95.3050(9)
_cell_angle_gamma                99.1550(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7631(4)
_cell_length_b                   11.1927(4)
_cell_length_c                   15.5583(6)
_cell_measurement_reflns_used    7990
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.85
_cell_measurement_theta_min      2.21
_cell_volume                     1749.15(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0095
_diffrn_reflns_av_sigmaI/netI    0.0164
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8952
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    1.016
_exptl_absorpt_correction_T_max  0.8227
_exptl_absorpt_correction_T_min  0.8227
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             854
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.818
_refine_diff_density_min         -0.693
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         6118
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0337
_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)+(0.0543P)²+1.4690P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.0957
_reflns_number_gt                5603
_reflns_number_total             6118
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25272d.txt
_cod_data_source_block           4#
_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_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7208107
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
C1 C 0.3374(2) 0.2327(2) -0.07770(14) 0.0260(4) Uani 1 1 d . . .
C2 C 0.3091(2) 0.3188(2) -0.00088(14) 0.0274(4) Uani 1 1 d . . .
H2 H 0.3498 0.4039 0.0177 0.033 Uiso 1 1 calc R . .
C3 C 0.2191(2) 0.2763(2) 0.04796(14) 0.0273(4) Uani 1 1 d . . .
C4 C 0.1571(2) 0.1501(2) 0.01913(14) 0.0282(5) Uani 1 1 d . . .
H4 H 0.0988 0.1216 0.0528 0.034 Uiso 1 1 calc R . .
C5 C 0.1816(2) 0.0658(2) -0.05984(15) 0.0273(4) Uani 1 1 d U . .
C6 C 0.2726(2) 0.1071(2) -0.10783(14) 0.0278(5) Uani 1 1 d . . .
H6 H 0.2901 0.0505 -0.1603 0.033 Uiso 1 1 calc R . .
C7 C 0.4401(2) 0.2757(2) -0.12710(14) 0.0275(5) Uani 1 1 d . . .
C8 C 0.1880(2) 0.3664(2) 0.13180(15) 0.0298(5) Uani 1 1 d . A .
C9 C -0.1864(2) 0.2209(2) 0.39449(15) 0.0296(5) Uani 1 1 d . . .
C10 C 0.1989(2) 0.6957(2) 0.52259(15) 0.0299(5) Uani 1 1 d . . .
H10 H 0.1432 0.6175 0.4983 0.036 Uiso 1 1 calc R . .
C11 C 0.2958(2) 0.7301(2) 0.47578(14) 0.0290(5) Uani 1 1 d . . .
C12 C 0.3791(2) 0.8460(2) 0.51185(15) 0.0339(5) Uani 1 1 d . . .
H12 H 0.4432 0.8686 0.4802 0.041 Uiso 1 1 calc R . .
C13 C 0.3667(2) 0.9283(2) 0.59547(16) 0.0351(5) Uani 1 1 d U . .
C14 C -0.2699(2) 0.1046(2) 0.35839(15) 0.0350(5) Uani 1 1 d . . .
H14 H -0.2607 0.0486 0.3029 0.042 Uiso 1 1 calc R . .
C15 C -0.0883(2) 0.2582(2) 0.33990(16) 0.0349(5) Uani 1 1 d . A .
C16 C 0.3086(2) 0.6413(2) 0.38507(15) 0.0297(5) Uani 1 1 d . A .
C17 C 0.2653(3) 0.8628(3) 0.23444(18) 0.0453(6) Uani 1 1 d . . .
H17 H 0.3174 0.9036 0.2899 0.054 Uiso 1 1 calc R . .
C18 C 0.1787(3) 0.7251(3) 0.10767(19) 0.0477(6) Uani 1 1 d . . .
H18 H 0.1598 0.6508 0.0582 0.057 Uiso 1 1 calc R . .
C19 C 0.1211(3) 0.8251(3) 0.1173(2) 0.0573(8) Uani 1 1 d . . .
H19 H 0.0562 0.8328 0.0766 0.069 Uiso 1 1 calc R . .
C20 C 0.1774(8) 1.0605(8) 0.2368(6) 0.054(2) Uani 0.50 1 d PU . 1
H20A H 0.2514 1.1080 0.2220 0.065 Uiso 0.50 1 calc PR . 1
H20B H 0.1020 1.0797 0.2087 0.065 Uiso 0.50 1 calc PR . 1
C21 C -0.1806(4) 0.9013(3) 0.6650(2) 0.0645(10) Uani 1 1 d . . .
C22 C -0.2616(5) 0.7893(5) 0.6292(4) 0.0978(15) Uani 1 1 d . . .
H22 H -0.2994 0.7497 0.6677 0.117 Uiso 1 1 calc R . .
C23 C -0.2896(4) 0.7326(4) 0.5379(4) 0.0938(14) Uani 1 1 d . A .
H23 H -0.3472 0.6554 0.5153 0.113 Uiso 1 1 calc R . .
C24 C -0.2357(3) 0.7856(3) 0.4781(2) 0.0576(8) Uani 1 1 d . . .
C25 C -0.1535(4) 0.8995(4) 0.5141(2) 0.0758(11) Uani 1 1 d . A .
H25 H -0.1161 0.9395 0.4757 0.091 Uiso 1 1 calc R . .
C26 C -0.1252(4) 0.9564(4) 0.6073(2) 0.0793(11) Uani 1 1 d . . .
H26 H -0.0675 1.0334 0.6308 0.095 Uiso 1 1 calc R A .
C27 C -0.2849(10) 0.7085(11) 0.3857(7) 0.056(3) Uani 0.50 1 d PU A 1
H27A H -0.3330 0.7555 0.3562 0.067 Uiso 0.50 1 calc PR A 1
H27B H -0.3419 0.6320 0.3855 0.067 Uiso 0.50 1 calc PR A 1
C28 C -0.1075(3) 0.5870(3) 0.3506(2) 0.0571(8) Uani 1 1 d . A .
H28 H -0.1160 0.5589 0.4008 0.069 Uiso 1 1 calc R . .
C29 C -0.0482(4) 0.6135(5) 0.2304(3) 0.0826(12) Uani 1 1 d . A .
H29 H -0.0063 0.6076 0.1801 0.099 Uiso 1 1 calc R . .
C30 C -0.1332(4) 0.6855(5) 0.2534(3) 0.0909(13) Uani 1 1 d . A .
H30 H -0.1619 0.7376 0.2223 0.109 Uiso 1 1 calc R . .
C31 C 0.5553(2) 0.4231(2) 0.14890(17) 0.0357(5) Uani 1 1 d . . .
H31 H 0.5652 0.4417 0.0952 0.043 Uiso 1 1 calc R . .
C32 C 0.5027(3) 0.4278(3) 0.27908(18) 0.0465(6) Uani 1 1 d . . .
H32 H 0.4682 0.4510 0.3328 0.056 Uiso 1 1 calc R . .
C33 C 0.5678(3) 0.3331(3) 0.2549(2) 0.0552(8) Uani 1 1 d . . .
H33 H 0.5869 0.2800 0.2883 0.066 Uiso 1 1 calc R . .
C34 C 0.6639(3) 0.2377(3) 0.1128(2) 0.0560(8) Uani 1 1 d . . .
H34A H 0.7277 0.2160 0.1507 0.067 Uiso 1 1 calc R . .
H34B H 0.7076 0.2776 0.0735 0.067 Uiso 1 1 calc R . .
C35 C 0.5753(3) 0.1167(2) 0.05462(19) 0.0430(6) Uani 1 1 d . . .
C36 C 0.4796(3) 0.0531(3) 0.0872(2) 0.0563(8) Uani 1 1 d . . .
H36 H 0.4645 0.0881 0.1464 0.068 Uiso 1 1 calc R . .
C37 C 0.4056(3) -0.0619(3) 0.0330(2) 0.0535(7) Uani 1 1 d . . .
H37 H 0.3415 -0.1029 0.0565 0.064 Uiso 1 1 calc R . .
C20' C 0.1176(9) 1.0202(9) 0.2315(6) 0.061(2) Uani 0.50 1 d PU . 2
H20C H 0.0270 0.9913 0.2290 0.073 Uiso 0.50 1 calc PR . 2
H20D H 0.1289 1.0751 0.1937 0.073 Uiso 0.50 1 calc PR . 2
C27' C -0.2564(11) 0.7448(11) 0.3683(7) 0.057(3) Uani 0.50 1 d PU A 2
H27C H -0.3427 0.6978 0.3449 0.068 Uiso 0.50 1 calc PR A 2
H27D H -0.2458 0.8210 0.3499 0.068 Uiso 0.50 1 calc PR A 2
Co1 Co 0.38613(3) 0.62323(3) 0.201238(18) 0.02610(10) Uani 1 1 d . . .
Co2 Co 0.08704(3) 0.42630(3) 0.29489(2) 0.03552(11) Uani 1 1 d . A .
N1 N 0.49466(19) 0.48523(18) 0.21234(13) 0.0343(4) Uani 1 1 d . . .
N2 N 0.6006(2) 0.3302(2) 0.17132(15) 0.0435(5) Uani 1 1 d . . .
N3 N 0.26897(19) 0.74841(19) 0.18106(13) 0.0344(4) Uani 1 1 d . . .
N4 N 0.1762(3) 0.9131(3) 0.19826(16) 0.0568(7) Uani 1 1 d . . .
N5 N -0.1711(3) 0.6698(3) 0.33030(18) 0.0612(7) Uani 1 1 d . . .
N6 N -0.0307(2) 0.5492(2) 0.29101(16) 0.0473(5) Uani 1 1 d . . .
N7 N 0.11410(15) -0.05813(16) -0.08576(11) 0.0227(4) Uani 1 1 d U . .
H7A H 0.1272 -0.0983 -0.0477 0.027 Uiso 1 1 d R . .
H7B H 0.1133 -0.0888 -0.1402 0.027 Uiso 1 1 d R . .
N8 N 0.4531(2) 1.04127(18) 0.62913(13) 0.0388(5) Uani 1 1 d U . .
H8A H 0.4376 1.0804 0.6795 0.047 Uiso 1 1 d R . .
H8B H 0.5097 1.0041 0.6452 0.047 Uiso 1 1 d R . .
O1 O 0.52687(15) 0.36950(15) -0.08431(10) 0.0333(4) Uani 1 1 d . . .
O2 O 0.43729(16) 0.21997(16) -0.21066(10) 0.0362(4) Uani 1 1 d . . .
O3 O 0.12155(18) 0.31653(16) 0.18004(11) 0.0439(5) Uani 1 1 d . . .
O4 O 0.22402(16) 0.48317(15) 0.14997(11) 0.0358(4) Uani 1 1 d . . .
O5 O -0.00082(18) 0.35335(17) 0.37939(13) 0.0460(5) Uani 1 1 d . . .
O6 O -0.0987(2) 0.1975(2) 0.25811(12) 0.0614(6) Uani 1 1 d . . .
O7 O 0.38038(16) 0.68420(15) 0.33802(10) 0.0362(4) Uani 1 1 d . . .
O8 O 0.24918(17) 0.52803(16) 0.36345(11) 0.0409(4) 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'
Co Co 0.3494 0.9721 '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'
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
C6 C1 C2 120.32(19) . .
C6 C1 C7 120.01(19) . .
C2 C1 C7 119.67(19) . .
C1 C2 C3 119.3(2) . .
C1 C2 H2 120.3 . .
C3 C2 H2 120.3 . .
C4 C3 C2 120.18(19) . .
C4 C3 C8 119.23(19) . .
C2 C3 C8 120.59(19) . .
C3 C4 C5 120.22(19) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
N7 C5 C6 123.05(19) . .
N7 C5 C4 117.13(19) . .
C6 C5 C4 119.8(2) . .
C1 C6 C5 120.05(19) . .
C1 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
O1 C7 O2 120.85(19) . .
O1 C7 C1 118.92(18) . .
O2 C7 C1 120.2(2) . .
O4 C8 O3 123.2(2) . .
O4 C8 C3 120.40(19) . .
O3 C8 C3 116.35(19) . .
C10 C9 C14 120.2(2) 2_566 .
C10 C9 C15 120.7(2) 2_566 .
C14 C9 C15 119.1(2) . .
C9 C10 C11 119.4(2) 2_566 .
C9 C10 H10 120.3 2_566 .
C11 C10 H10 120.3 . .
C12 C11 C10 120.5(2) . .
C12 C11 C16 119.81(19) . .
C10 C11 C16 119.7(2) . .
C11 C12 C13 119.8(2) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
N8 C13 C14 122.4(2) . 2_566
N8 C13 C12 117.6(2) . .
C14 C13 C12 120.0(2) 2_566 .
C13 C14 C9 120.2(2) 2_566 .
C13 C14 H14 119.9 2_566 .
C9 C14 H14 119.9 . .
O6 C15 O5 123.1(2) . .
O6 C15 C9 119.1(2) . .
O5 C15 C9 117.8(2) . .
O7 C16 O8 124.9(2) . .
O7 C16 C11 117.65(19) . .
O8 C16 C11 117.43(19) . .
N3 C17 N4 111.1(2) . .
N3 C17 H17 124.5 . .
N4 C17 H17 124.5 . .
C19 C18 N3 109.9(3) . .
C19 C18 H18 125.0 . .
N3 C18 H18 125.0 . .
C18 C19 N4 106.5(3) . .
C18 C19 H19 126.7 . .
N4 C19 H19 126.7 . .
C21 C20 N4 110.1(6) 2_576 .
C21 C20 H20A 109.6 2_576 .
N4 C20 H20A 109.6 . .
C21 C20 H20B 109.6 2_576 .
N4 C20 H20B 109.6 . .
H20A C20 H20B 108.2 . .
C22 C21 C26 118.2(4) . .
C22 C21 C20 107.7(5) . 2_576
C26 C21 C20 134.0(5) . 2_576
C22 C21 C20' 131.5(5) . 2_576
C26 C21 C20' 109.7(5) . 2_576
C21 C22 C23 121.3(4) . .
C21 C22 H22 119.4 . .
C23 C22 H22 119.4 . .
C22 C23 C24 121.9(4) . .
C22 C23 H23 119.0 . .
C24 C23 H23 119.0 . .
C25 C24 C23 117.0(3) . .
C25 C24 C27 132.3(5) . .
C23 C24 C27 110.6(5) . .
C25 C24 C27' 110.2(5) . .
C23 C24 C27' 132.6(5) . .
C24 C25 C26 120.6(4) . .
C24 C25 H25 119.7 . .
C26 C25 H25 119.7 . .
C21 C26 C25 120.9(4) . .
C21 C26 H26 119.5 . .
C25 C26 H26 119.6 . .
C24 C27 N5 110.6(7) . .
C24 C27 H27A 109.5 . .
N5 C27 H27A 109.5 . .
C24 C27 H27B 109.5 . .
N5 C27 H27B 109.5 . .
H27A C27 H27B 108.1 . .
N6 C28 N5 111.9(3) . .
N6 C28 H28 124.1 . .
N5 C28 H28 124.1 . .
C30 C29 N6 110.1(3) . .
C30 C29 H29 125.0 . .
N6 C29 H29 125.0 . .
C29 C30 N5 107.5(3) . .
C29 C30 H30 126.2 . .
N5 C30 H30 126.2 . .
N1 C31 N2 111.7(2) . .
N1 C31 H31 124.2 . .
N2 C31 H31 124.2 . .
C33 C32 N1 109.8(2) . .
C33 C32 H32 125.1 . .
N1 C32 H32 125.1 . .
C32 C33 N2 106.4(2) . .
C32 C33 H33 126.8 . .
N2 C33 H33 126.8 . .
N2 C34 C35 114.1(2) . .
N2 C34 H34A 108.7 . .
C35 C34 H34A 108.7 . .
N2 C34 H34B 108.7 . .
C35 C34 H34B 108.7 . .
H34A C34 H34B 107.6 . .
C37 C35 C36 117.7(3) 2_655 .
C37 C35 C34 119.3(3) 2_655 .
C36 C35 C34 122.9(3) . .
C35 C36 C37 121.0(3) . .
C35 C36 H36 119.5 . .
C37 C36 H36 119.5 . .
C35 C37 C36 121.4(3) 2_655 .
C35 C37 H37 119.3 2_655 .
C36 C37 H37 119.3 . .
N4 C20' C21 109.7(6) . 2_576
N4 C20' H20C 109.7 . .
C21 C20' H20C 109.7 2_576 .
N4 C20' H20D 109.7 . .
C21 C20' H20D 109.7 2_576 .
H20C C20' H20D 108.2 . .
N5 C27' C24 112.3(8) . .
N5 C27' H27C 109.2 . .
C24 C27' H27C 109.2 . .
N5 C27' H27D 109.2 . .
C24 C27' H27D 109.2 . .
H27C C27' H27D 107.9 . .
O7 Co1 O4 103.75(6) . .
O7 Co1 N3 90.68(7) . .
O4 Co1 N3 85.12(7) . .
O7 Co1 N1 92.61(7) . .
O4 Co1 N1 90.80(7) . .
N3 Co1 N1 175.27(8) . .
O7 Co1 O1 151.86(6) . 2_665
O4 Co1 O1 104.39(6) . 2_665
N3 Co1 O1 91.48(7) . 2_665
N1 Co1 O1 87.22(7) . 2_665
O7 Co1 O2 93.58(6) . 2_665
O4 Co1 O2 161.60(6) . 2_665
N3 Co1 O2 88.61(7) . 2_665
N1 Co1 O2 94.57(7) . 2_665
O1 Co1 O2 58.43(6) 2_665 2_665
O8 Co2 O3 107.56(8) . .
O8 Co2 O5 106.35(8) . .
O3 Co2 O5 121.02(7) . .
O8 Co2 N6 106.81(9) . .
O3 Co2 N6 118.54(9) . .
O5 Co2 N6 95.16(9) . .
C31 N1 C32 105.1(2) . .
C31 N1 Co1 125.92(17) . .
C32 N1 Co1 128.33(17) . .
C31 N2 C33 107.0(2) . .
C31 N2 C34 125.3(2) . .
C33 N2 C34 127.6(2) . .
C17 N3 C18 105.7(2) . .
C17 N3 Co1 128.60(18) . .
C18 N3 Co1 125.70(18) . .
C17 N4 C19 106.8(2) . .
C17 N4 C20' 134.8(4) . .
C19 N4 C20' 117.4(4) . .
C17 N4 C20 119.8(4) . .
C19 N4 C20 131.0(4) . .
C28 N5 C30 106.2(3) . .
C28 N5 C27' 137.9(5) . .
C30 N5 C27' 115.8(5) . .
C28 N5 C27 118.6(5) . .
C30 N5 C27 134.2(5) . .
C28 N6 C29 104.3(3) . .
C28 N6 Co2 126.1(2) . .
C29 N6 Co2 129.6(2) . .
C5 N7 H7A 114.7 . .
C5 N7 H7B 107.5 . .
H7A N7 H7B 123.3 . .
C13 N8 H8A 108.6 . .
C13 N8 H8B 91.5 . .
H8A N8 H8B 99.7 . .
C7 O1 Co1 94.83(12) . 2_665
C7 O2 Co1 85.75(13) . 2_665
C8 O3 Co2 118.86(15) . .
C8 O4 Co1 140.50(16) . .
C15 O5 Co2 113.55(16) . .
C16 O7 Co1 130.80(15) . .
C16 O8 Co2 138.16(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.387(3) .
C1 C2 1.390(3) .
C1 C7 1.500(3) .
C2 C3 1.394(3) .
C2 H2 0.9300 .
C3 C4 1.383(3) .
C3 C8 1.498(3) .
C4 C5 1.388(3) .
C4 H4 0.9300 .
C5 N7 1.382(3) .
C5 C6 1.387(3) .
C6 H6 0.9300 .
C7 O1 1.257(3) .
C7 O2 1.261(3) .
C8 O4 1.241(3) .
C8 O3 1.267(3) .
C9 C10 1.384(3) 2_566
C9 C14 1.386(3) .
C9 C15 1.499(3) .
C10 C9 1.384(3) 2_566
C10 C11 1.394(3) .
C10 H10 0.9300 .
C11 C12 1.382(3) .
C11 C16 1.501(3) .
C12 C13 1.388(3) .
C12 H12 0.9300 .
C13 N8 1.372(3) .
C13 C14 1.382(3) 2_566
C14 C13 1.382(3) 2_566
C14 H14 0.9300 .
C15 O6 1.239(3) .
C15 O5 1.260(3) .
C16 O7 1.248(3) .
C16 O8 1.257(3) .
C17 N3 1.314(3) .
C17 N4 1.346(3) .
C17 H17 0.9300 .
C18 C19 1.342(4) .
C18 N3 1.362(3) .
C18 H18 0.9300 .
C19 N4 1.362(4) .
C19 H19 0.9300 .
C20 C21 1.457(10) 2_576
C20 N4 1.579(9) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.339(6) .
C21 C26 1.360(5) .
C21 C20 1.457(10) 2_576
C21 C20' 1.613(9) 2_576
C22 C23 1.357(7) .
C22 H22 0.9300 .
C23 C24 1.367(6) .
C23 H23 0.9300 .
C24 C25 1.360(5) .
C24 C27 1.441(11) .
C24 C27' 1.618(11) .
C25 C26 1.384(5) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 N5 1.605(11) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 N6 1.320(4) .
C28 N5 1.327(4) .
C28 H28 0.9300 .
C29 C30 1.319(6) .
C29 N6 1.361(4) .
C29 H29 0.9300 .
C30 N5 1.349(5) .
C30 H30 0.9300 .
C31 N1 1.320(3) .
C31 N2 1.336(3) .
C31 H31 0.9300 .
C32 C33 1.345(4) .
C32 N1 1.376(3) .
C32 H32 0.9300 .
C33 N2 1.371(4) .
C33 H33 0.9300 .
C34 N2 1.466(3) .
C34 C35 1.507(4) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C37 1.370(4) 2_655
C35 C36 1.378(4) .
C36 C37 1.383(4) .
C36 H36 0.9300 .
C37 C35 1.370(4) 2_655
C37 H37 0.9300 .
C20' N4 1.428(9) .
C20' C21 1.613(9) 2_576
C20' H20C 0.9700 .
C20' H20D 0.9700 .
C27' N5 1.397(12) .
C27' H27C 0.9700 .
C27' H27D 0.9700 .
Co1 O7 2.0448(15) .
Co1 O4 2.0675(16) .
Co1 N3 2.097(2) .
Co1 N1 2.115(2) .
Co1 O1 2.1380(15) 2_665
Co1 O2 2.3345(17) 2_665
Co2 O8 1.9464(17) .
Co2 O3 1.9537(16) .
Co2 O5 1.9761(17) .
Co2 N6 2.023(2) .
N7 H7A 0.8569 .
N7 H7B 0.8140 .
N8 H8A 0.8243 .
N8 H8B 0.8491 .
O1 Co1 2.1380(15) 2_665
O2 Co1 2.3345(16) 2_665
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N8 H8A O2 0.82 1.95 2.738(2) 160.4 1_566
N7 H7B O6 0.81 1.86 2.651(2) 165.3 2
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
C6 C1 C2 C3 3.0(3) . .
C7 C1 C2 C3 -176.0(2) . .
C1 C2 C3 C4 -1.2(3) . .
C1 C2 C3 C8 179.1(2) . .
C2 C3 C4 C5 -1.6(3) . .
C8 C3 C4 C5 178.1(2) . .
C3 C4 C5 N7 -178.5(2) . .
C3 C4 C5 C6 2.7(3) . .
C2 C1 C6 C5 -1.9(3) . .
C7 C1 C6 C5 177.1(2) . .
N7 C5 C6 C1 -179.6(2) . .
C4 C5 C6 C1 -0.9(3) . .
C6 C1 C7 O1 -154.2(2) . .
C2 C1 C7 O1 24.8(3) . .
C6 C1 C7 O2 27.3(3) . .
C2 C1 C7 O2 -153.7(2) . .
C4 C3 C8 O4 -166.8(2) . .
C2 C3 C8 O4 12.9(3) . .
C4 C3 C8 O3 11.4(3) . .
C2 C3 C8 O3 -168.9(2) . .
C9 C10 C11 C12 0.3(4) 2_566 .
C9 C10 C11 C16 -179.0(2) 2_566 .
C10 C11 C12 C13 0.4(4) . .
C16 C11 C12 C13 179.7(2) . .
C11 C12 C13 N8 178.9(2) . .
C11 C12 C13 C14 -1.2(4) . 2_566
C10 C9 C14 C13 0.6(4) 2_566 2_566
C15 C9 C14 C13 -175.6(2) . 2_566
C10 C9 C15 O6 -162.4(2) 2_566 .
C14 C9 C15 O6 13.8(4) . .
C10 C9 C15 O5 15.3(4) 2_566 .
C14 C9 C15 O5 -168.5(2) . .
C12 C11 C16 O7 -12.1(3) . .
C10 C11 C16 O7 167.2(2) . .
C12 C11 C16 O8 165.8(2) . .
C10 C11 C16 O8 -14.9(3) . .
N3 C18 C19 N4 0.0(3) . .
C26 C21 C22 C23 -1.0(7) . .
C20 C21 C22 C23 176.5(5) 2_576 .
C20' C21 C22 C23 -171.1(6) 2_576 .
C21 C22 C23 C24 0.9(8) . .
C22 C23 C24 C25 -1.0(7) . .
C22 C23 C24 C27 -178.0(6) . .
C22 C23 C24 C27' -176.0(7) . .
C23 C24 C25 C26 1.2(6) . .
C27 C24 C25 C26 177.5(7) . .
C27' C24 C25 C26 177.3(6) . .
C22 C21 C26 C25 1.2(6) . .
C20 C21 C26 C25 -175.5(6) 2_576 .
C20' C21 C26 C25 173.4(5) 2_576 .
C24 C25 C26 C21 -1.4(7) . .
C25 C24 C27 N5 58.9(10) . .
C23 C24 C27 N5 -124.6(6) . .
C27' C24 C27 N5 59.4(19) . .
N6 C29 C30 N5 0.7(6) . .
N1 C32 C33 N2 -0.4(4) . .
N2 C34 C35 C37 140.8(3) . 2_655
N2 C34 C35 C36 -43.4(4) . .
C37 C35 C36 C37 0.0(5) 2_655 .
C34 C35 C36 C37 -175.9(3) . .
C35 C36 C37 C35 0.0(5) . 2_655
C25 C24 C27' N5 91.7(7) . .
C23 C24 C27' N5 -93.0(8) . .
C27 C24 C27' N5 -88(2) . .
N2 C31 N1 C32 0.1(3) . .
N2 C31 N1 Co1 -171.47(16) . .
C33 C32 N1 C31 0.2(3) . .
C33 C32 N1 Co1 171.5(2) . .
O7 Co1 N1 C31 -166.2(2) . .
O4 Co1 N1 C31 89.9(2) . .
O1 Co1 N1 C31 -14.4(2) 2_665 .
O2 Co1 N1 C31 -72.4(2) 2_665 .
O7 Co1 N1 C32 24.1(2) . .
O4 Co1 N1 C32 -79.7(2) . .
O1 Co1 N1 C32 175.9(2) 2_665 .
O2 Co1 N1 C32 117.9(2) 2_665 .
N1 C31 N2 C33 -0.4(3) . .
N1 C31 N2 C34 175.2(2) . .
C32 C33 N2 C31 0.5(3) . .
C32 C33 N2 C34 -174.9(3) . .
C35 C34 N2 C31 -91.3(3) . .
C35 C34 N2 C33 83.4(4) . .
N4 C17 N3 C18 0.2(3) . .
N4 C17 N3 Co1 -179.46(18) . .
C19 C18 N3 C17 -0.1(3) . .
C19 C18 N3 Co1 179.54(19) . .
O7 Co1 N3 C17 34.8(2) . .
O4 Co1 N3 C17 138.5(2) . .
O1 Co1 N3 C17 -117.2(2) 2_665 .
O2 Co1 N3 C17 -58.8(2) 2_665 .
O7 Co1 N3 C18 -144.8(2) . .
O4 Co1 N3 C18 -41.1(2) . .
O1 Co1 N3 C18 63.2(2) 2_665 .
O2 Co1 N3 C18 121.6(2) 2_665 .
N3 C17 N4 C19 -0.2(4) . .
N3 C17 N4 C20' 167.3(7) . .
N3 C17 N4 C20 -164.6(4) . .
C18 C19 N4 C17 0.1(4) . .
C18 C19 N4 C20' -170.0(5) . .
C18 C19 N4 C20 162.1(5) . .
C21 C20' N4 C17 3.2(11) 2_576 .
C21 C20' N4 C19 169.8(4) 2_576 .
C21 C20' N4 C20 -62.3(12) 2_576 .
C21 C20 N4 C17 -52.5(7) 2_576 .
C21 C20 N4 C19 147.4(4) 2_576 .
C21 C20 N4 C20' 79.3(14) 2_576 .
N6 C28 N5 C30 0.2(4) . .
N6 C28 N5 C27' -175.7(7) . .
N6 C28 N5 C27 170.2(5) . .
C29 C30 N5 C28 -0.6(5) . .
C29 C30 N5 C27' 176.4(6) . .
C29 C30 N5 C27 -168.3(6) . .
C24 C27' N5 C28 29.1(11) . .
C24 C27' N5 C30 -146.5(5) . .
C24 C27' N5 C27 63.6(19) . .
C24 C27 N5 C28 70.4(8) . .
C24 C27 N5 C30 -123.1(7) . .
C24 C27 N5 C27' -84(2) . .
N5 C28 N6 C29 0.2(4) . .
N5 C28 N6 Co2 178.9(2) . .
C30 C29 N6 C28 -0.6(5) . .
C30 C29 N6 Co2 -179.2(3) . .
O8 Co2 N6 C28 -90.4(3) . .
O3 Co2 N6 C28 148.1(3) . .
O5 Co2 N6 C28 18.4(3) . .
O8 Co2 N6 C29 88.0(3) . .
O3 Co2 N6 C29 -33.6(4) . .
O5 Co2 N6 C29 -163.2(3) . .
O2 C7 O1 Co1 3.9(2) . 2_665
C1 C7 O1 Co1 -174.59(17) . 2_665
O1 C7 O2 Co1 -3.6(2) . 2_665
C1 C7 O2 Co1 174.90(19) . 2_665
O4 C8 O3 Co2 -6.1(3) . .
C3 C8 O3 Co2 175.71(15) . .
O8 Co2 O3 C8 -51.4(2) . .
O5 Co2 O3 C8 -173.73(18) . .
N6 Co2 O3 C8 69.8(2) . .
O3 C8 O4 Co1 105.3(3) . .
C3 C8 O4 Co1 -76.6(3) . .
O7 Co1 O4 C8 -90.9(2) . .
N3 Co1 O4 C8 179.6(2) . .
N1 Co1 O4 C8 2.0(2) . .
O1 Co1 O4 C8 89.3(2) 2_665 .
O2 Co1 O4 C8 109.1(3) 2_665 .
O6 C15 O5 Co2 16.4(3) . .
C9 C15 O5 Co2 -161.15(17) . .
O8 Co2 O5 C15 -160.79(17) . .
O3 Co2 O5 C15 -37.9(2) . .
N6 Co2 O5 C15 89.99(19) . .
O8 C16 O7 Co1 23.9(4) . .
C11 C16 O7 Co1 -158.37(16) . .
O4 Co1 O7 C16 8.2(2) . .
N3 Co1 O7 C16 93.4(2) . .
N1 Co1 O7 C16 -83.2(2) . .
O1 Co1 O7 C16 -172.22(18) 2_665 .
O2 Co1 O7 C16 -178.0(2) 2_665 .
O7 C16 O8 Co2 -87.5(3) . .
C11 C16 O8 Co2 94.7(3) . .
O3 Co2 O8 C16 106.2(2) . .
O5 Co2 O8 C16 -122.8(2) . .
N6 Co2 O8 C16 -22.0(2) . .
