#------------------------------------------------------------------------------
#$Date: 2015-12-06 07:56:47 +0200 (Sun, 06 Dec 2015) $
#$Revision: 170779 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/36/4513675.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_4513675
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            'C74 H52 Co3 N12 O16'
_chemical_formula_weight         1542.06
_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                99.178(11)
_cell_angle_beta                 104.016(11)
_cell_angle_gamma                114.946(14)
_cell_formula_units_Z            2
_cell_length_a                   11.7607(17)
_cell_length_b                   11.8567(17)
_cell_length_c                   13.6483(16)
_cell_measurement_reflns_used    3324
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4920
_cell_measurement_theta_min      3.2320
_cell_volume                     1598.5(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_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0471
_diffrn_reflns_av_sigmaI/netI    0.0766
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11193
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    0.855
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'clear light purple'
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             789
_exptl_crystal_size_max          0.2700
_exptl_crystal_size_mid          0.1800
_exptl_crystal_size_min          0.1500
_refine_diff_density_max         0.545
_refine_diff_density_min         -0.770
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         6299
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0494
_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)+(0.0439P)²+0.4819P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1304
_reflns_number_gt                4741
_reflns_number_total             6299
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b01124_si_001.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 4513672--4513676.cif.'
_cod_original_cell_volume        1598.5(4)
_cod_database_code               4513675
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 0.0000 0.5000 0.0000 0.01768(16) Uani 1 2 d S
Co2 Co 0.08017(4) 0.22023(4) 0.02435(3) 0.01848(13) Uani 1 1 d .
O1 O 0.2474(2) 0.3927(2) 0.13693(18) 0.0295(5) Uani 1 1 d .
O2 O 0.1757(2) 0.5287(2) 0.09524(18) 0.0326(6) Uani 1 1 d .
O3 O 0.3959(2) 0.7575(2) 0.14842(16) 0.0217(5) Uani 1 1 d .
O4 O 0.1732(2) 0.7815(2) 0.21837(16) 0.0248(5) Uani 1 1 d .
O5 O 0.0705(2) 0.7096(2) 0.04171(16) 0.0211(5) Uani 1 1 d .
O6 O 0.0775(2) 0.9518(2) 0.08505(17) 0.0244(5) Uani 1 1 d .
O7 O 0.2101(2) 1.1476(2) 0.07661(18) 0.0271(5) Uani 1 1 d .
N1 N 0.1624(3) 0.2490(3) -0.0972(2) 0.0245(6) Uani 1 1 d .
N2 N 0.1683(3) 0.2327(3) -0.2584(2) 0.0284(7) Uani 1 1 d .
N3 N -0.0008(3) 0.1867(3) -0.6913(2) 0.0301(7) Uani 1 1 d .
N4 N 0.0048(3) 0.1960(3) -0.8505(2) 0.0256(6) Uani 1 1 d .
N5 N -0.0784(3) 0.4803(2) 0.1248(2) 0.0231(6) Uani 1 1 d .
N6 N -0.0860(3) 0.4852(3) 0.2852(2) 0.0277(7) Uani 1 1 d .
C1 C 0.2523(3) 0.5011(3) 0.1519(2) 0.0186(6) Uani 1 1 d .
C2 C 0.3571(3) 0.6099(3) 0.2497(2) 0.0189(6) Uani 1 1 d .
C3 C 0.3827(3) 0.5850(3) 0.3449(2) 0.0250(7) Uani 1 1 d .
H3 H 0.3452 0.4989 0.3461 0.030 Uiso 1 1 calc R
C4 C 0.4642(3) 0.6855(3) 0.4415(2) 0.0270(7) Uani 1 1 d .
C5 C 0.4879(4) 0.6610(4) 0.5405(3) 0.0360(9) Uani 1 1 d .
H5 H 0.4486 0.5758 0.5435 0.043 Uiso 1 1 calc R
C6 C 0.5678(4) 0.7612(4) 0.6318(3) 0.0459(11) Uani 1 1 d .
H6 H 0.5829 0.7439 0.6964 0.055 Uiso 1 1 calc R
C7 C 0.6273(5) 0.8905(4) 0.6280(3) 0.0507(12) Uani 1 1 d .
H7 H 0.6823 0.9583 0.6903 0.061 Uiso 1 1 calc R
C8 C 0.6051(4) 0.9177(4) 0.5341(3) 0.0407(10) Uani 1 1 d .
H8 H 0.6444 1.0038 0.5331 0.049 Uiso 1 1 calc R
C9 C 0.5230(3) 0.8163(3) 0.4378(3) 0.0270(8) Uani 1 1 d .
C10 C 0.4988(3) 0.8422(3) 0.3391(3) 0.0260(7) Uani 1 1 d .
H10 H 0.5375 0.9276 0.3363 0.031 Uiso 1 1 calc R
C11 C 0.4185(3) 0.7417(3) 0.2479(2) 0.0190(6) Uani 1 1 d .
C12 C 0.4072(3) 0.8773(3) 0.1386(2) 0.0203(7) Uani 1 1 d .
C13 C 0.2925(3) 0.8923(3) 0.1198(2) 0.0180(6) Uani 1 1 d .
C14 C 0.3041(3) 1.0102(3) 0.1037(2) 0.0181(6) Uani 1 1 d .
C15 C 0.4263(3) 1.1070(3) 0.1074(2) 0.0253(7) Uani 1 1 d .
H15 H 0.4337 1.1853 0.0977 0.030 Uiso 1 1 calc R
C16 C 0.5373(3) 1.0876(3) 0.1253(3) 0.0314(8) Uani 1 1 d .
H16 H 0.6184 1.1531 0.1277 0.038 Uiso 1 1 calc R
C17 C 0.5276(3) 0.9712(3) 0.1396(3) 0.0284(8) Uani 1 1 d .
H17 H 0.6008 0.9566 0.1497 0.034 Uiso 1 1 calc R
C18 C 0.1682(3) 0.7867(3) 0.1286(2) 0.0176(6) Uani 1 1 d .
C19 C 0.1878(3) 1.0376(3) 0.0858(2) 0.0193(7) Uani 1 1 d .
C20 C 0.2836(4) 0.2616(4) -0.0980(3) 0.0420(10) Uani 1 1 d .
H20 H 0.3527 0.2752 -0.0390 0.050 Uiso 1 1 calc R
C21 C 0.2883(4) 0.2516(4) -0.1960(3) 0.0448(11) Uani 1 1 d .
H21 H 0.3592 0.2566 -0.2172 0.054 Uiso 1 1 calc R
C22 C 0.0949(3) 0.2322(3) -0.1951(3) 0.0268(8) Uani 1 1 d .
H22 H 0.0088 0.2214 -0.2180 0.032 Uiso 1 1 calc R
C23 C 0.1245(4) 0.2185(4) -0.3690(2) 0.0280(8) Uani 1 1 d .
C24 C 0.2179(4) 0.2777(4) -0.4148(3) 0.0419(10) Uani 1 1 d .
H24 H 0.3083 0.3253 -0.3741 0.050 Uiso 1 1 calc R
C25 C 0.1762(4) 0.2656(4) -0.5213(3) 0.0417(10) Uani 1 1 d .
H25 H 0.2386 0.3060 -0.5522 0.050 Uiso 1 1 calc R
C26 C 0.0431(4) 0.1945(4) -0.5819(3) 0.0293(8) Uani 1 1 d .
C27 C -0.0502(4) 0.1333(4) -0.5363(3) 0.0422(10) Uani 1 1 d .
H27 H -0.1404 0.0846 -0.5773 0.051 Uiso 1 1 calc R
C28 C -0.0091(4) 0.1447(4) -0.4304(3) 0.0426(10) Uani 1 1 d .
H28 H -0.0714 0.1026 -0.3999 0.051 Uiso 1 1 calc R
C29 C 0.0692(4) 0.1955(4) -0.7583(3) 0.0338(9) Uani 1 1 d .
H29 H 0.1531 0.2005 -0.7406 0.041 Uiso 1 1 calc R
C30 C -0.1136(4) 0.1865(4) -0.8442(3) 0.0315(8) Uani 1 1 d .
H30 H -0.1805 0.1846 -0.8985 0.038 Uiso 1 1 calc R
C31 C -0.1178(4) 0.1804(4) -0.7470(3) 0.0327(8) Uani 1 1 d .
H31 H -0.1872 0.1732 -0.7227 0.039 Uiso 1 1 calc R
C32 C -0.0080(4) 0.5071(3) 0.2243(2) 0.0266(7) Uani 1 1 d .
H32 H 0.0837 0.5372 0.2497 0.032 Uiso 1 1 calc R
C33 C -0.2082(3) 0.4396(3) 0.1213(3) 0.0303(8) Uani 1 1 d .
H33 H -0.2806 0.4146 0.0606 0.036 Uiso 1 1 calc R
C34 C -0.2148(4) 0.4416(4) 0.2192(3) 0.0324(8) Uani 1 1 d .
H34 H -0.2907 0.4183 0.2381 0.039 Uiso 1 1 calc R
C35 C 0.0901(4) 0.5687(4) 0.4557(3) 0.0416(10) Uani 1 1 d .
H35 H 0.1512 0.6159 0.4262 0.050 Uiso 1 1 calc R
C36 C -0.0429(4) 0.4940(3) 0.3946(3) 0.0289(8) Uani 1 1 d .
C37 C -0.1333(4) 0.4260(4) 0.4390(3) 0.0412(10) Uani 1 1 d .
H37 H -0.2235 0.3765 0.3982 0.049 Uiso 1 1 calc R
O8 O -0.4896(4) 0.4304(5) 0.1832(5) 0.1103(16) Uani 1 1 d G
H8A H -0.4671 0.4853 0.1490 0.165 Uiso 1 1 d G
H8B H -0.5715 0.4026 0.1762 0.165 Uiso 1 1 d G
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
O2 Co1 O2 180.0 . 2_565
O2 Co1 N5 90.55(10) . .
O2 Co1 N5 89.45(10) 2_565 .
O2 Co1 N5 89.45(10) . 2_565
O2 Co1 N5 90.55(10) 2_565 2_565
N5 Co1 N5 180.00(16) . 2_565
O2 Co1 O5 89.00(9) . 2_565
O2 Co1 O5 91.00(9) 2_565 2_565
N5 Co1 O5 87.56(9) . 2_565
N5 Co1 O5 92.44(9) 2_565 2_565
O2 Co1 O5 91.00(9) . .
O2 Co1 O5 89.00(9) 2_565 .
N5 Co1 O5 92.44(9) . .
N5 Co1 O5 87.56(9) 2_565 .
O5 Co1 O5 180.00(4) 2_565 .
O6 Co2 O7 97.95(9) 2_565 1_545
O6 Co2 N4 94.88(10) 2_565 1_556
O7 Co2 N4 93.10(10) 1_545 1_556
O6 Co2 N1 86.95(10) 2_565 .
O7 Co2 N1 85.95(10) 1_545 .
N4 Co2 N1 178.04(11) 1_556 .
O6 Co2 O1 177.47(8) 2_565 .
O7 Co2 O1 79.58(9) 1_545 .
N4 Co2 O1 85.86(10) 1_556 .
N1 Co2 O1 92.28(10) . .
O6 Co2 O5 78.97(8) 2_565 2_565
O7 Co2 O5 176.79(8) 1_545 2_565
N4 Co2 O5 88.11(9) 1_556 2_565
N1 Co2 O5 92.93(9) . 2_565
O1 Co2 O5 103.48(8) . 2_565
C1 O1 Co2 122.9(2) . .
C1 O2 Co1 156.6(2) . .
C11 O3 C12 118.1(2) . .
C18 O5 Co1 120.35(19) . .
C18 O5 Co2 116.41(18) . 2_565
Co1 O5 Co2 117.81(9) . 2_565
C19 O6 Co2 135.23(19) . 2_565
C19 O7 Co2 131.2(2) . 1_565
C22 N1 C20 105.7(3) . .
C22 N1 Co2 124.9(2) . .
C20 N1 Co2 128.2(2) . .
C22 N2 C21 107.1(3) . .
C22 N2 C23 124.8(3) . .
C21 N2 C23 128.1(3) . .
C29 N3 C31 106.0(3) . .
C29 N3 C26 127.4(3) . .
C31 N3 C26 126.4(3) . .
C29 N4 C30 105.6(3) . .
C29 N4 Co2 125.1(2) . 1_554
C30 N4 Co2 129.2(2) . 1_554
C32 N5 C33 105.7(3) . .
C32 N5 Co1 125.1(2) . .
C33 N5 Co1 129.2(2) . .
C32 N6 C34 106.9(3) . .
C32 N6 C36 125.5(3) . .
C34 N6 C36 127.3(3) . .
O2 C1 O1 125.9(3) . .
O2 C1 C2 115.1(3) . .
O1 C1 C2 119.0(3) . .
C3 C2 C11 118.6(3) . .
C3 C2 C1 119.7(3) . .
C11 C2 C1 121.3(3) . .
C2 C3 C4 122.3(3) . .
C2 C3 H3 118.9 . .
C4 C3 H3 118.9 . .
C3 C4 C5 122.7(3) . .
C3 C4 C9 118.1(3) . .
C5 C4 C9 119.2(3) . .
C6 C5 C4 120.7(4) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C5 C6 C7 120.0(4) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C8 C7 C6 120.8(4) . .
C8 C7 H7 119.6 . .
C6 C7 H7 119.6 . .
C7 C8 C9 120.8(4) . .
C7 C8 H8 119.6 . .
C9 C8 H8 119.6 . .
C8 C9 C10 121.8(3) . .
C8 C9 C4 118.5(3) . .
C10 C9 C4 119.8(3) . .
C11 C10 C9 120.0(3) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C10 C11 O3 123.8(3) . .
C10 C11 C2 121.3(3) . .
O3 C11 C2 114.9(3) . .
C17 C12 O3 118.5(3) . .
C17 C12 C13 122.9(3) . .
O3 C12 C13 118.3(3) . .
C12 C13 C14 117.4(3) . .
C12 C13 C18 118.3(3) . .
C14 C13 C18 124.0(3) . .
C15 C14 C13 120.0(3) . .
C15 C14 C19 118.3(3) . .
C13 C14 C19 121.6(3) . .
C16 C15 C14 120.7(3) . .
C16 C15 H15 119.6 . .
C14 C15 H15 119.6 . .
C17 C16 C15 120.2(3) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C12 C17 C16 118.7(3) . .
C12 C17 H17 120.7 . .
C16 C17 H17 120.7 . .
O4 C18 O5 126.8(3) . .
O4 C18 C13 115.8(3) . .
O5 C18 C13 117.4(3) . .
O7 C19 O6 124.6(3) . .
O7 C19 C14 116.5(3) . .
O6 C19 C14 118.8(3) . .
C21 C20 N1 110.2(3) . .
C21 C20 H20 124.9 . .
N1 C20 H20 124.9 . .
C20 C21 N2 106.4(3) . .
C20 C21 H21 126.8 . .
N2 C21 H21 126.8 . .
N1 C22 N2 110.7(3) . .
N1 C22 H22 124.7 . .
N2 C22 H22 124.7 . .
C28 C23 C24 120.0(3) . .
C28 C23 N2 120.7(3) . .
C24 C23 N2 119.3(3) . .
C25 C24 C23 119.6(4) . .
C25 C24 H24 120.2 . .
C23 C24 H24 120.2 . .
C26 C25 C24 120.4(3) . .
C26 C25 H25 119.8 . .
C24 C25 H25 119.8 . .
C25 C26 C27 120.0(3) . .
C25 C26 N3 120.4(3) . .
C27 C26 N3 119.6(3) . .
C28 C27 C26 119.8(4) . .
C28 C27 H27 120.1 . .
C26 C27 H27 120.1 . .
C27 C28 C23 120.2(3) . .
C27 C28 H28 119.9 . .
C23 C28 H28 119.9 . .
N4 C29 N3 112.0(3) . .
N4 C29 H29 124.0 . .
N3 C29 H29 124.0 . .
C31 C30 N4 109.5(3) . .
C31 C30 H30 125.3 . .
N4 C30 H30 125.3 . .
C30 C31 N3 107.0(3) . .
C30 C31 H31 126.5 . .
N3 C31 H31 126.5 . .
N5 C32 N6 111.4(3) . .
N5 C32 H32 124.3 . .
N6 C32 H32 124.3 . .
C34 C33 N5 110.0(3) . .
C34 C33 H33 125.0 . .
N5 C33 H33 125.0 . .
C33 C34 N6 106.0(3) . .
C33 C34 H34 127.0 . .
N6 C34 H34 127.0 . .
C36 C35 C37 120.2(3) . 2_566
C36 C35 H35 119.9 . .
C37 C35 H35 119.9 2_566 .
C37 C36 C35 119.7(3) . .
C37 C36 N6 120.4(3) . .
C35 C36 N6 119.9(3) . .
C36 C37 C35 120.1(4) . 2_566
C36 C37 H37 120.0 . .
C35 C37 H37 120.0 2_566 .
H8A O8 H8B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2 2.010(2) .
Co1 O2 2.010(2) 2_565
Co1 N5 2.123(2) .
Co1 N5 2.123(2) 2_565
Co1 O5 2.184(2) 2_565
Co1 O5 2.184(2) .
Co2 O6 2.080(2) 2_565
Co2 O7 2.089(2) 1_545
Co2 N4 2.112(3) 1_556
Co2 N1 2.117(3) .
Co2 O1 2.134(2) .
Co2 O5 2.314(2) 2_565
O1 C1 1.242(4) .
O2 C1 1.229(4) .
O3 C11 1.378(3) .
O3 C12 1.401(4) .
O4 C18 1.225(3) .
O5 C18 1.292(3) .
O5 Co2 2.314(2) 2_565
O6 C19 1.263(4) .
O6 Co2 2.080(2) 2_565
O7 C19 1.251(4) .
O7 Co2 2.089(2) 1_565
N1 C22 1.312(4) .
N1 C20 1.373(4) .
N2 C22 1.360(4) .
N2 C21 1.363(5) .
N2 C23 1.428(4) .
N3 C29 1.359(4) .
N3 C31 1.366(4) .
N3 C26 1.432(4) .
N4 C29 1.305(4) .
N4 C30 1.374(4) .
N4 Co2 2.112(3) 1_554
N5 C32 1.315(4) .
N5 C33 1.380(4) .
N6 C32 1.356(4) .
N6 C34 1.380(4) .
N6 C36 1.427(4) .
C1 C2 1.509(4) .
C2 C3 1.370(4) .
C2 C11 1.425(4) .
C3 C4 1.414(4) .
C3 H3 0.9300 .
C4 C5 1.414(5) .
C4 C9 1.422(5) .
C5 C6 1.365(5) .
C5 H5 0.9300 .
C6 C7 1.408(6) .
C6 H6 0.9300 .
C7 C8 1.362(5) .
C7 H7 0.9300 .
C8 C9 1.416(4) .
C8 H8 0.9300 .
C9 C10 1.418(5) .
C10 C11 1.367(4) .
C10 H10 0.9300 .
C12 C17 1.379(4) .
C12 C13 1.402(4) .
C13 C14 1.404(4) .
C13 C18 1.520(4) .
C14 C15 1.393(4) .
C14 C19 1.508(4) .
C15 C16 1.390(5) .
C15 H15 0.9300 .
C16 C17 1.386(5) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C20 C21 1.340(5) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C28 1.380(5) .
C23 C24 1.383(5) .
C24 C25 1.380(5) .
C24 H24 0.9300 .
C25 C26 1.371(5) .
C25 H25 0.9300 .
C26 C27 1.386(5) .
C27 C28 1.374(5) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C31 1.352(5) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 C34 1.355(5) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.375(5) .
C35 C37 1.385(5) 2_566
C35 H35 0.9300 .
C36 C37 1.374(5) .
C37 C35 1.385(5) 2_566
C37 H37 0.9300 .
O8 H8A 0.8498 .
O8 H8B 0.8503 .
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
O6 Co2 O1 C1 162.8(18) 2_565 .
O7 Co2 O1 C1 175.9(2) 1_545 .
N4 Co2 O1 C1 -90.2(2) 1_556 .
N1 Co2 O1 C1 90.4(2) . .
O5 Co2 O1 C1 -3.1(2) 2_565 .
O2 Co1 O2 C1 -156(100) 2_565 .
N5 Co1 O2 C1 63.2(6) . .
N5 Co1 O2 C1 -116.8(6) 2_565 .
O5 Co1 O2 C1 -24.4(6) 2_565 .
O5 Co1 O2 C1 155.6(6) . .
O2 Co1 O5 C18 -22.0(2) . .
O2 Co1 O5 C18 158.0(2) 2_565 .
N5 Co1 O5 C18 68.6(2) . .
N5 Co1 O5 C18 -111.4(2) 2_565 .
O5 Co1 O5 C18 -134(100) 2_565 .
O2 Co1 O5 Co2 -175.04(11) . 2_565
O2 Co1 O5 Co2 4.96(11) 2_565 2_565
N5 Co1 O5 Co2 -84.44(11) . 2_565
N5 Co1 O5 Co2 95.56(11) 2_565 2_565
O5 Co1 O5 Co2 73(100) 2_565 2_565
O6 Co2 N1 C22 45.0(3) 2_565 .
O7 Co2 N1 C22 143.1(3) 1_545 .
N4 Co2 N1 C22 -156(3) 1_556 .
O1 Co2 N1 C22 -137.5(3) . .
O5 Co2 N1 C22 -33.8(3) 2_565 .
O6 Co2 N1 C20 -120.6(3) 2_565 .
O7 Co2 N1 C20 -22.4(3) 1_545 .
N4 Co2 N1 C20 39(3) 1_556 .
O1 Co2 N1 C20 57.0(3) . .
O5 Co2 N1 C20 160.6(3) 2_565 .
O2 Co1 N5 C32 10.5(3) . .
O2 Co1 N5 C32 -169.5(3) 2_565 .
N5 Co1 N5 C32 -95(100) 2_565 .
O5 Co1 N5 C32 99.5(3) 2_565 .
O5 Co1 N5 C32 -80.5(3) . .
O2 Co1 N5 C33 -170.1(3) . .
O2 Co1 N5 C33 9.9(3) 2_565 .
N5 Co1 N5 C33 84(100) 2_565 .
O5 Co1 N5 C33 -81.2(3) 2_565 .
O5 Co1 N5 C33 98.8(3) . .
Co1 O2 C1 O1 37.2(7) . .
Co1 O2 C1 C2 -140.4(5) . .
Co2 O1 C1 O2 -12.4(4) . .
Co2 O1 C1 C2 165.26(19) . .
O2 C1 C2 C3 135.2(3) . .
O1 C1 C2 C3 -42.7(4) . .
O2 C1 C2 C11 -36.9(4) . .
O1 C1 C2 C11 145.3(3) . .
C11 C2 C3 C4 2.1(5) . .
C1 C2 C3 C4 -170.1(3) . .
C2 C3 C4 C5 178.0(3) . .
C2 C3 C4 C9 -1.4(5) . .
C3 C4 C5 C6 179.7(3) . .
C9 C4 C5 C6 -1.0(6) . .
C4 C5 C6 C7 0.2(6) . .
C5 C6 C7 C8 0.7(7) . .
C6 C7 C8 C9 -0.8(7) . .
C7 C8 C9 C10 -179.9(4) . .
C7 C8 C9 C4 0.0(6) . .
C3 C4 C9 C8 -179.8(3) . .
C5 C4 C9 C8 0.8(5) . .
C3 C4 C9 C10 0.1(5) . .
C5 C4 C9 C10 -179.3(3) . .
C8 C9 C10 C11 -179.7(3) . .
C4 C9 C10 C11 0.4(5) . .
C9 C10 C11 O3 -176.1(3) . .
C9 C10 C11 C2 0.4(5) . .
C12 O3 C11 C10 -26.8(4) . .
C12 O3 C11 C2 156.5(3) . .
C3 C2 C11 C10 -1.6(5) . .
C1 C2 C11 C10 170.5(3) . .
C3 C2 C11 O3 175.2(3) . .
C1 C2 C11 O3 -12.7(4) . .
C11 O3 C12 C17 94.2(3) . .
C11 O3 C12 C13 -90.8(3) . .
C17 C12 C13 C14 -1.3(5) . .
O3 C12 C13 C14 -176.1(2) . .
C17 C12 C13 C18 -175.6(3) . .
O3 C12 C13 C18 9.6(4) . .
C12 C13 C14 C15 -0.4(4) . .
C18 C13 C14 C15 173.5(3) . .
C12 C13 C14 C19 -178.3(3) . .
C18 C13 C14 C19 -4.4(4) . .
C13 C14 C15 C16 1.0(5) . .
C19 C14 C15 C16 179.0(3) . .
C14 C15 C16 C17 0.1(5) . .
O3 C12 C17 C16 177.2(3) . .
C13 C12 C17 C16 2.5(5) . .
C15 C16 C17 C12 -1.8(5) . .
Co1 O5 C18 O4 -57.6(4) . .
Co2 O5 C18 O4 95.8(3) 2_565 .
Co1 O5 C18 C13 120.0(2) . .
Co2 O5 C18 C13 -86.6(3) 2_565 .
C12 C13 C18 O4 71.6(4) . .
C14 C13 C18 O4 -102.3(4) . .
C12 C13 C18 O5 -106.3(3) . .
C14 C13 C18 O5 79.8(4) . .
Co2 O7 C19 O6 -15.7(5) 1_565 .
Co2 O7 C19 C14 167.09(18) 1_565 .
Co2 O6 C19 O7 103.7(3) 2_565 .
Co2 O6 C19 C14 -79.1(4) 2_565 .
C15 C14 C19 O7 -0.8(4) . .
C13 C14 C19 O7 177.1(3) . .
C15 C14 C19 O6 -178.2(3) . .
C13 C14 C19 O6 -0.3(4) . .
C22 N1 C20 C21 -0.4(5) . .
Co2 N1 C20 C21 167.4(3) . .
N1 C20 C21 N2 0.2(5) . .
C22 N2 C21 C20 0.1(5) . .
C23 N2 C21 C20 178.9(4) . .
C20 N1 C22 N2 0.5(4) . .
Co2 N1 C22 N2 -167.8(2) . .
C21 N2 C22 N1 -0.4(4) . .
C23 N2 C22 N1 -179.2(3) . .
C22 N2 C23 C28 -31.1(6) . .
C21 N2 C23 C28 150.4(4) . .
C22 N2 C23 C24 150.0(4) . .
C21 N2 C23 C24 -28.5(6) . .
C28 C23 C24 C25 1.9(6) . .
N2 C23 C24 C25 -179.2(4) . .
C23 C24 C25 C26 -0.6(7) . .
C24 C25 C26 C27 -0.6(6) . .
C24 C25 C26 N3 177.3(4) . .
C29 N3 C26 C25 28.6(6) . .
C31 N3 C26 C25 -145.3(4) . .
C29 N3 C26 C27 -153.6(4) . .
C31 N3 C26 C27 32.6(5) . .
C25 C26 C27 C28 0.4(6) . .
N3 C26 C27 C28 -177.5(4) . .
C26 C27 C28 C23 0.9(7) . .
C24 C23 C28 C27 -2.1(6) . .
N2 C23 C28 C27 179.0(4) . .
C30 N4 C29 N3 -0.3(4) . .
Co2 N4 C29 N3 175.9(2) 1_554 .
C31 N3 C29 N4 0.5(4) . .
C26 N3 C29 N4 -174.3(3) . .
C29 N4 C30 C31 0.0(4) . .
Co2 N4 C30 C31 -176.0(2) 1_554 .
N4 C30 C31 N3 0.3(4) . .
C29 N3 C31 C30 -0.5(4) . .
C26 N3 C31 C30 174.4(3) . .
C33 N5 C32 N6 0.3(4) . .
Co1 N5 C32 N6 179.8(2) . .
C34 N6 C32 N5 -0.1(4) . .
C36 N6 C32 N5 174.4(3) . .
C32 N5 C33 C34 -0.4(4) . .
Co1 N5 C33 C34 -179.8(2) . .
N5 C33 C34 N6 0.3(4) . .
C32 N6 C34 C33 -0.2(4) . .
C36 N6 C34 C33 -174.5(3) . .
C37 C35 C36 C37 1.0(7) 2_566 .
C37 C35 C36 N6 -177.7(3) 2_566 .
C32 N6 C36 C37 -155.6(4) . .
C34 N6 C36 C37 17.7(6) . .
C32 N6 C36 C35 23.0(5) . .
C34 N6 C36 C35 -163.6(4) . .
C35 C36 C37 C35 -1.0(7) . 2_566
N6 C36 C37 C35 177.7(3) . 2_566
