#------------------------------------------------------------------------------
#$Date: 2021-03-31 12:21:32 +0300 (Wed, 31 Mar 2021) $
#$Revision: 263488 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/13/1561391.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_1561391
loop_
_publ_author_name
'Zhou, Zhi-Hang'
'Han, Min-Le'
'Wu, Ya-Pan'
'Dong, Wen-Wen'
'Li, Dong-Sheng'
'Lu, Jack Y.'
_publ_section_title
;
 N-donor co-ligands driven two new Co(II)- coordination polymers with bi-
 and trinuclear units: Crystal structures, and magnetic properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              207
_journal_page_last               211
_journal_paper_doi               10.1016/j.jssc.2016.07.015
_journal_volume                  242
_journal_year                    2016
_chemical_formula_sum            'C41 H26 Co2 N4 O10'
_chemical_formula_weight         852.52
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 97.78(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.67(3)
_cell_length_b                   14.79(3)
_cell_length_c                   18.72(3)
_cell_measurement_temperature    296(2)
_cell_volume                     3750(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.1784
_diffrn_reflns_av_sigmaI/netI    0.1295
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29373
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    0.951
_exptl_absorpt_correction_T_max  0.8628
_exptl_absorpt_correction_T_min  0.8400
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.862
_refine_diff_density_min         -0.572
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         6536
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.1402
_refine_ls_R_factor_gt           0.0995
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1104P)²+2.2496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2300
_refine_ls_wR_factor_ref         0.2604
_reflns_number_gt                4536
_reflns_number_total             6536
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2016-242-207.cif
_cod_data_source_block           z
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1561391
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 0.19975(6) 1.07355(7) 0.16668(5) 0.0310(3) Uani 1 1 d . . .
Co2 Co 0.10451(7) 0.94487(7) 0.33880(5) 0.0323(3) Uani 1 1 d . . .
O1 O 0.1689(4) 0.9382(3) 0.1670(3) 0.0372(12) Uani 1 1 d . . .
O2 O 0.0681(4) 0.8827(4) 0.2426(3) 0.0475(14) Uani 1 1 d . . .
O3 O 0.2135(4) 0.7153(5) -0.0317(3) 0.0542(17) Uani 1 1 d . . .
O4 O 0.0788(4) 0.6391(4) -0.0823(3) 0.0556(18) Uani 1 1 d . . .
O5 O -0.1976(4) 0.9119(4) -0.0456(3) 0.0457(14) Uani 1 1 d . . .
O6 O -0.2429(4) 0.8007(4) -0.1223(3) 0.0462(14) Uani 1 1 d . . .
O7 O -0.5873(4) 0.7573(5) -0.0105(4) 0.0605(18) Uani 1 1 d . . .
H7 H -0.6456 0.7443 -0.0106 0.091 Uiso 1 1 calc R . .
O8 O -0.5716(4) 0.6880(6) 0.0971(4) 0.089(3) Uani 1 1 d . . .
O9 O -0.1329(4) 0.5796(4) 0.1479(3) 0.0392(12) Uani 1 1 d . . .
O10 O -0.2287(4) 0.6293(4) 0.2303(3) 0.0459(14) Uani 1 1 d . . .
N1 N 0.2603(5) 0.9153(5) 0.3474(4) 0.0435(16) Uani 1 1 d . . .
N2 N 0.9475(4) 0.9732(5) 0.3361(3) 0.0364(14) Uani 1 1 d . . .
N3 N 0.3552(4) 1.0395(4) 0.1678(3) 0.0372(15) Uani 1 1 d . . .
N4 N 1.0427(4) 1.1010(5) 0.1519(3) 0.0382(15) Uani 1 1 d . . .
C1 C 0.0979(5) 0.8874(5) 0.1820(4) 0.0318(16) Uani 1 1 d . . .
C2 C 0.0491(5) 0.8244(5) 0.1234(4) 0.0330(16) Uani 1 1 d . . .
C3 C 0.1040(5) 0.7925(5) 0.0697(4) 0.0334(16) Uani 1 1 d . . .
H3 H 0.1700 0.8087 0.0711 0.040 Uiso 1 1 calc R . .
C4 C 0.0593(5) 0.7366(5) 0.0145(4) 0.0325(16) Uani 1 1 d . . .
C5 C -0.0442(5) 0.7175(5) 0.0094(4) 0.0341(17) Uani 1 1 d . . .
H5 H -0.0745 0.6831 -0.0289 0.041 Uiso 1 1 calc R . .
C6 C -0.1013(4) 0.7504(5) 0.0623(4) 0.0285(15) Uani 1 1 d . . .
C7 C -0.0534(5) 0.8023(5) 0.1192(4) 0.0306(15) Uani 1 1 d . . .
H7A H -0.0890 0.8228 0.1549 0.037 Uiso 1 1 calc R . .
C8 C 0.1240(5) 0.6944(6) -0.0374(4) 0.0413(19) Uani 1 1 d . . .
C9 C -0.2125(5) 0.7382(5) 0.0567(4) 0.0314(16) Uani 1 1 d . . .
C10 C -0.2740(5) 0.7784(5) 0.0004(4) 0.0318(16) Uani 1 1 d . . .
C11 C -0.3790(5) 0.7731(5) -0.0049(4) 0.0372(18) Uani 1 1 d . . .
H11 H -0.4181 0.7984 -0.0444 0.045 Uiso 1 1 calc R . .
C12 C -0.4234(5) 0.7302(5) 0.0488(4) 0.0368(18) Uani 1 1 d . . .
C13 C -0.3613(5) 0.6893(6) 0.1076(4) 0.0380(18) Uani 1 1 d . . .
H13 H -0.3895 0.6618 0.1445 0.046 Uiso 1 1 calc R . .
C14 C -0.2574(5) 0.6904(5) 0.1102(4) 0.0307(15) Uani 1 1 d . . .
C15 C -0.2341(5) 0.8337(6) -0.0599(4) 0.0377(18) Uani 1 1 d . . .
C16 C -0.5345(6) 0.7228(6) 0.0475(5) 0.049(2) Uani 1 1 d . . .
C17 C -0.2012(5) 0.6289(5) 0.1679(4) 0.0315(16) Uani 1 1 d . . .
C18 C 0.3023(6) 0.8610(6) 0.3010(5) 0.050(2) Uani 1 1 d . . .
H18 H 0.2605 0.8277 0.2674 0.060 Uiso 1 1 calc R . .
C19 C 0.4036(6) 0.8523(6) 0.3008(5) 0.054(2) Uani 1 1 d . . .
H19 H 0.4282 0.8133 0.2686 0.064 Uiso 1 1 calc R . .
C20 C 0.4685(5) 0.9035(6) 0.3501(5) 0.050(2) Uani 1 1 d . . .
C21 C 0.4264(6) 0.9565(7) 0.4005(5) 0.053(2) Uani 1 1 d . . .
H21 H 0.4663 0.9891 0.4356 0.064 Uiso 1 1 calc R . .
C22 C 0.3241(6) 0.9593(7) 0.3968(5) 0.051(2) Uani 1 1 d . . .
H22 H 0.2977 0.9940 0.4310 0.061 Uiso 1 1 calc R . .
C23 C 0.5764(6) 0.9020(7) 0.3455(6) 0.064(3) Uani 1 1 d . . .
H23 H 0.6023 0.8497 0.3279 0.077 Uiso 1 1 calc R . .
C24 C 0.6382(6) 0.9689(8) 0.3644(6) 0.072(3) Uani 1 1 d . . .
H24 H 0.6133 1.0193 0.3856 0.086 Uiso 1 1 calc R . .
C25 C 0.7451(6) 0.9709(7) 0.3548(6) 0.058(3) Uani 1 1 d . . .
C26 C 0.7878(5) 0.8992(6) 0.3204(5) 0.051(2) Uani 1 1 d . . .
H26 H 0.7497 0.8500 0.3026 0.061 Uiso 1 1 calc R . .
C27 C 0.8875(6) 0.9028(6) 0.3135(5) 0.053(2) Uani 1 1 d . . .
H27 H 0.9149 0.8540 0.2920 0.064 Uiso 1 1 calc R . .
C28 C 0.9065(6) 1.0420(7) 0.3668(6) 0.060(3) Uani 1 1 d . . .
H28 H 0.9459 1.0912 0.3825 0.072 Uiso 1 1 calc R . .
C29 C 0.8071(6) 1.0441(8) 0.3765(7) 0.080(4) Uani 1 1 d . . .
H29 H 0.7819 1.0944 0.3976 0.096 Uiso 1 1 calc R . .
C30 C 0.4243(6) 1.0942(7) 0.2031(5) 0.054(2) Uani 1 1 d . . .
H30 H 0.4044 1.1352 0.2359 0.064 Uiso 1 1 calc R . .
C31 C 0.5235(6) 1.0933(8) 0.1936(5) 0.060(3) Uani 1 1 d . . .
H31 H 0.5672 1.1333 0.2196 0.073 Uiso 1 1 calc R . .
C32 C 0.5579(6) 1.0328(6) 0.1454(5) 0.048(2) Uani 1 1 d . . .
C33 C 0.4858(6) 0.9739(6) 0.1079(6) 0.058(3) Uani 1 1 d . . .
H33 H 0.5038 0.9326 0.0746 0.069 Uiso 1 1 calc R . .
C34 C 0.3887(6) 0.9787(6) 0.1214(6) 0.056(2) Uani 1 1 d . . .
H34 H 0.3436 0.9383 0.0975 0.067 Uiso 1 1 calc R . .
C35 C 0.6624(6) 1.0335(7) 0.1296(6) 0.057(2) Uani 1 1 d . . .
H35 H 0.6828 0.9875 0.1011 0.068 Uiso 1 1 calc R . .
C36 C 0.7273(6) 1.0965(7) 0.1543(6) 0.061(3) Uani 1 1 d . . .
H36 H 0.7024 1.1452 0.1776 0.073 Uiso 1 1 calc R . .
C37 C 0.8343(6) 1.0990(6) 0.1493(5) 0.050(2) Uani 1 1 d . . .
C38 C 0.8807(6) 1.0506(6) 0.0985(5) 0.046(2) Uani 1 1 d . . .
H38 H 0.8434 1.0163 0.0631 0.056 Uiso 1 1 calc R . .
C39 C 0.9838(5) 1.0544(6) 0.1018(4) 0.0418(19) Uani 1 1 d . . .
H39 H 1.0130 1.0228 0.0673 0.050 Uiso 1 1 calc R . .
C40 C 0.9983(5) 1.1526(6) 0.1992(5) 0.048(2) Uani 1 1 d . . .
H40 H 1.0374 1.1874 0.2333 0.057 Uiso 1 1 calc R . .
C41 C 0.8960(6) 1.1543(6) 0.1975(5) 0.051(2) Uani 1 1 d . . .
H41 H 0.8680 1.1925 0.2286 0.062 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'
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
O1 Co1 O10 113.4(2) . 2
O1 Co1 O6 156.1(2) . 3_575
O10 Co1 O6 89.3(3) 2 3_575
O1 Co1 N4 89.0(2) . 1_455
O10 Co1 N4 96.0(2) 2 1_455
O6 Co1 N4 96.2(2) 3_575 1_455
O1 Co1 N3 88.6(2) . .
O10 Co1 N3 91.2(2) 2 .
O6 Co1 N3 83.4(2) 3_575 .
N4 Co1 N3 172.8(2) 1_455 .
O1 Co1 O5 96.9(2) . 3_575
O10 Co1 O5 149.3(2) 2 3_575
O6 Co1 O5 60.0(2) 3_575 3_575
N4 Co1 O5 88.6(2) 1_455 3_575
N3 Co1 O5 85.0(2) . 3_575
O4 Co2 O2 109.2(3) 4_576 .
O4 Co2 O9 124.6(3) 4_576 2
O2 Co2 O9 124.9(2) . 2
O4 Co2 N1 95.1(2) 4_576 .
O2 Co2 N1 95.5(3) . .
O9 Co2 N1 91.1(3) 2 .
O4 Co2 N2 82.3(2) 4_576 1_455
O2 Co2 N2 86.8(2) . 1_455
O9 Co2 N2 89.2(2) 2 1_455
N1 Co2 N2 177.0(2) . 1_455
C1 O1 Co1 137.1(5) . .
C1 O2 Co2 135.0(5) . .
C8 O4 Co2 140.4(5) . 4_575
C15 O5 Co1 85.7(4) . 3_575
C15 O6 Co1 91.5(5) . 3_575
C16 O7 H7 109.5 . .
C17 O9 Co2 131.0(5) . 2_545
C17 O10 Co1 143.4(5) . 2_545
C22 N1 C18 115.5(7) . .
C22 N1 Co2 119.5(6) . .
C18 N1 Co2 124.6(6) . .
C28 N2 C27 116.7(7) . .
C28 N2 Co2 127.5(5) . 1_655
C27 N2 Co2 114.3(5) . 1_655
C30 N3 C34 115.6(7) . .
C30 N3 Co1 118.9(6) . .
C34 N3 Co1 123.7(5) . .
C39 N4 C40 117.5(6) . .
C39 N4 Co1 119.0(5) . 1_655
C40 N4 Co1 122.7(5) . 1_655
O2 C1 O1 125.1(7) . .
O2 C1 C2 116.9(6) . .
O1 C1 C2 118.0(6) . .
C3 C2 C7 119.6(6) . .
C3 C2 C1 119.6(6) . .
C7 C2 C1 120.7(6) . .
C4 C3 C2 120.1(6) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 119.7(7) . .
C3 C4 C8 118.5(6) . .
C5 C4 C8 121.8(7) . .
C6 C5 C4 120.9(7) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
C7 C6 C5 118.1(6) . .
C7 C6 C9 118.6(6) . .
C5 C6 C9 123.2(6) . .
C6 C7 C2 121.4(6) . .
C6 C7 H7A 119.3 . .
C2 C7 H7A 119.3 . .
O3 C8 O4 126.6(7) . .
O3 C8 C4 119.1(7) . .
O4 C8 C4 114.3(6) . .
C10 C9 C14 118.0(6) . .
C10 C9 C6 119.9(6) . .
C14 C9 C6 122.0(6) . .
C9 C10 C11 121.9(6) . .
C9 C10 C15 122.8(6) . .
C11 C10 C15 115.3(6) . .
C12 C11 C10 120.5(7) . .
C12 C11 H11 119.8 . .
C10 C11 H11 119.8 . .
C11 C12 C13 118.4(6) . .
C11 C12 C16 123.6(7) . .
C13 C12 C16 118.0(6) . .
C14 C13 C12 120.8(7) . .
C14 C13 H13 119.6 . .
C12 C13 H13 119.6 . .
C13 C14 C9 120.3(6) . .
C13 C14 C17 115.0(6) . .
C9 C14 C17 124.3(6) . .
O6 C15 O5 122.2(7) . .
O6 C15 C10 118.2(7) . .
O5 C15 C10 119.5(7) . .
O8 C16 O7 123.2(8) . .
O8 C16 C12 122.1(8) . .
O7 C16 C12 114.7(7) . .
O10 C17 O9 126.0(7) . .
O10 C17 C14 117.4(6) . .
O9 C17 C14 116.6(6) . .
N1 C18 C19 124.1(8) . .
N1 C18 H18 118.0 . .
C19 C18 H18 118.0 . .
C18 C19 C20 119.1(8) . .
C18 C19 H19 120.4 . .
C20 C19 H19 120.4 . .
C19 C20 C21 117.3(7) . .
C19 C20 C23 119.6(9) . .
C21 C20 C23 123.0(9) . .
C22 C21 C20 118.8(8) . .
C22 C21 H21 120.6 . .
C20 C21 H21 120.6 . .
N1 C22 C21 124.9(9) . .
N1 C22 H22 117.6 . .
C21 C22 H22 117.6 . .
C24 C23 C20 125.3(10) . .
C24 C23 H23 117.4 . .
C20 C23 H23 117.4 . .
C23 C24 C25 125.7(10) . .
C23 C24 H24 117.2 . .
C25 C24 H24 117.2 . .
C29 C25 C26 116.3(7) . .
C29 C25 C24 122.9(9) . .
C26 C25 C24 120.8(8) . .
C27 C26 C25 119.1(8) . .
C27 C26 H26 120.4 . .
C25 C26 H26 120.4 . .
N2 C27 C26 124.1(8) . .
N2 C27 H27 117.9 . .
C26 C27 H27 117.9 . .
N2 C28 C29 123.2(8) . .
N2 C28 H28 118.4 . .
C29 C28 H28 118.4 . .
C28 C29 C25 120.5(9) . .
C28 C29 H29 119.8 . .
C25 C29 H29 119.8 . .
N3 C30 C31 124.2(8) . .
N3 C30 H30 117.9 . .
C31 C30 H30 117.9 . .
C30 C31 C32 120.5(9) . .
C30 C31 H31 119.8 . .
C32 C31 H31 119.8 . .
C31 C32 C33 116.0(7) . .
C31 C32 C35 122.4(8) . .
C33 C32 C35 121.4(8) . .
C34 C33 C32 119.6(8) . .
C34 C33 H33 120.2 . .
C32 C33 H33 120.2 . .
N3 C34 C33 124.0(8) . .
N3 C34 H34 118.0 . .
C33 C34 H34 118.0 . .
C36 C35 C32 123.2(9) . .
C36 C35 H35 118.4 . .
C32 C35 H35 118.4 . .
C35 C36 C37 128.1(9) . .
C35 C36 H36 116.0 . .
C37 C36 H36 116.0 . .
C41 C37 C38 116.2(7) . .
C41 C37 C36 119.0(8) . .
C38 C37 C36 124.7(8) . .
C37 C38 C39 119.4(8) . .
C37 C38 H38 120.3 . .
C39 C38 H38 120.3 . .
N4 C39 C38 123.8(8) . .
N4 C39 H39 118.1 . .
C38 C39 H39 118.1 . .
N4 C40 C41 121.7(8) . .
N4 C40 H40 119.2 . .
C41 C40 H40 119.2 . .
C40 C41 C37 121.0(8) . .
C40 C41 H41 119.5 . .
C37 C41 H41 119.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.046(6) .
Co1 O10 2.086(6) 2
Co1 O6 2.152(7) 3_575
Co1 N4 2.165(8) 1_455
Co1 N3 2.181(8) .
Co1 O5 2.272(7) 3_575
Co2 O4 1.996(6) 4_576
Co2 O2 2.024(6) .
Co2 O9 2.038(7) 2
Co2 N1 2.158(8) .
Co2 N2 2.181(7) 1_455
O1 C1 1.289(9) .
O2 C1 1.257(9) .
O3 C8 1.253(9) .
O4 C8 1.272(10) .
O4 Co2 1.996(6) 4_575
O5 C15 1.273(10) .
O5 Co1 2.272(7) 3_575
O6 C15 1.258(9) .
O6 Co1 2.152(7) 3_575
O7 C16 1.321(10) .
O7 H7 0.8200 .
O8 C16 1.229(11) .
O9 C17 1.279(9) .
O9 Co2 2.038(7) 2_545
O10 C17 1.274(9) .
O10 Co1 2.086(6) 2_545
N1 C22 1.350(11) .
N1 C18 1.366(11) .
N2 C28 1.330(11) .
N2 C27 1.357(11) .
N2 Co2 2.181(7) 1_655
N3 C30 1.347(10) .
N3 C34 1.371(11) .
N4 C39 1.340(10) .
N4 C40 1.372(11) .
N4 Co1 2.165(8) 1_655
C1 C2 1.523(10) .
C2 C3 1.415(10) .
C2 C7 1.430(9) .
C3 C4 1.398(10) .
C3 H3 0.9300 .
C4 C5 1.432(10) .
C4 C8 1.533(10) .
C5 C6 1.428(10) .
C5 H5 0.9300 .
C6 C7 1.401(10) .
C6 C9 1.520(9) .
C7 H7A 0.9300 .
C9 C10 1.390(10) .
C9 C14 1.431(10) .
C10 C11 1.428(10) .
C10 C15 1.552(10) .
C11 C12 1.394(10) .
C11 H11 0.9300 .
C12 C13 1.430(10) .
C12 C16 1.519(10) .
C13 C14 1.414(10) .
C13 H13 0.9300 .
C14 C17 1.536(10) .
C18 C19 1.392(11) .
C18 H18 0.9300 .
C19 C20 1.411(13) .
C19 H19 0.9300 .
C20 C21 1.408(13) .
C20 C23 1.489(11) .
C21 C22 1.392(12) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.318(14) .
C23 H23 0.9300 .
C24 C25 1.496(11) .
C24 H24 0.9300 .
C25 C29 1.401(14) .
C25 C26 1.408(13) .
C26 C27 1.387(11) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.395(12) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C31 1.391(11) .
C30 H30 0.9300 .
C31 C32 1.397(13) .
C31 H31 0.9300 .
C32 C33 1.426(12) .
C32 C35 1.498(11) .
C33 C34 1.386(11) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.326(13) .
C35 H35 0.9300 .
C36 C37 1.479(11) .
C36 H36 0.9300 .
C37 C41 1.410(13) .
C37 C38 1.407(13) .
C38 C39 1.404(11) .
C38 H38 0.9300 .
C39 H39 0.9300 .
C40 C41 1.394(11) .
C40 H40 0.9300 .
C41 H41 0.9300 .
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
O10 Co1 O1 C1 70.5(7) 2 . . .
O6 Co1 O1 C1 -128.8(7) 3_575 . . .
N4 Co1 O1 C1 -25.7(7) 1_455 . . .
N3 Co1 O1 C1 161.1(7) . . . .
O5 Co1 O1 C1 -114.2(7) 3_575 . . .
O4 Co2 O2 C1 -150.2(7) 4_576 . . .
O9 Co2 O2 C1 42.3(8) 2 . . .
N1 Co2 O2 C1 -52.8(8) . . . .
N2 Co2 O2 C1 129.1(8) 1_455 . . .
O4 Co2 N1 C22 -84.1(7) 4_576 . . .
O2 Co2 N1 C22 166.0(6) . . . .
O9 Co2 N1 C22 40.8(6) 2 . . .
N2 Co2 N1 C22 -55(5) 1_455 . . .
O4 Co2 N1 C18 103.0(7) 4_576 . . .
O2 Co2 N1 C18 -6.9(7) . . . .
O9 Co2 N1 C18 -132.1(7) 2 . . .
N2 Co2 N1 C18 132(5) 1_455 . . .
O1 Co1 N3 C30 -146.5(6) . . . .
O10 Co1 N3 C30 -33.1(7) 2 . . .
O6 Co1 N3 C30 56.1(6) 3_575 . . .
N4 Co1 N3 C30 143.4(18) 1_455 . . .
O5 Co1 N3 C30 116.4(7) 3_575 . . .
O1 Co1 N3 C34 49.6(7) . . . .
O10 Co1 N3 C34 163.0(7) 2 . . .
O6 Co1 N3 C34 -107.8(7) 3_575 . . .
N4 Co1 N3 C34 -20(2) 1_455 . . .
O5 Co1 N3 C34 -47.5(7) 3_575 . . .
Co2 O2 C1 O1 1.9(12) . . . .
Co2 O2 C1 C2 178.7(5) . . . .
Co1 O1 C1 O2 -60.7(11) . . . .
Co1 O1 C1 C2 122.5(7) . . . .
O2 C1 C2 C3 -149.3(7) . . . .
O1 C1 C2 C3 27.7(10) . . . .
O2 C1 C2 C7 35.1(10) . . . .
O1 C1 C2 C7 -147.8(7) . . . .
C7 C2 C3 C4 -2.7(11) . . . .
C1 C2 C3 C4 -178.3(7) . . . .
C2 C3 C4 C5 4.8(11) . . . .
C2 C3 C4 C8 -172.8(7) . . . .
C3 C4 C5 C6 -3.6(11) . . . .
C8 C4 C5 C6 173.9(7) . . . .
C4 C5 C6 C7 0.2(11) . . . .
C4 C5 C6 C9 175.3(7) . . . .
C5 C6 C7 C2 1.9(11) . . . .
C9 C6 C7 C2 -173.4(6) . . . .
C3 C2 C7 C6 -0.7(11) . . . .
C1 C2 C7 C6 174.8(7) . . . .
Co2 O4 C8 O3 2.1(17) 4_575 . . .
Co2 O4 C8 C4 -176.9(7) 4_575 . . .
C3 C4 C8 O3 -4.3(12) . . . .
C5 C4 C8 O3 178.2(8) . . . .
C3 C4 C8 O4 174.8(7) . . . .
C5 C4 C8 O4 -2.8(11) . . . .
C7 C6 C9 C10 111.3(8) . . . .
C5 C6 C9 C10 -63.7(10) . . . .
C7 C6 C9 C14 -65.1(10) . . . .
C5 C6 C9 C14 119.9(8) . . . .
C14 C9 C10 C11 0.1(11) . . . .
C6 C9 C10 C11 -176.4(7) . . . .
C14 C9 C10 C15 178.6(7) . . . .
C6 C9 C10 C15 2.1(11) . . . .
C9 C10 C11 C12 2.8(12) . . . .
C15 C10 C11 C12 -175.8(7) . . . .
C10 C11 C12 C13 -2.0(12) . . . .
C10 C11 C12 C16 179.2(8) . . . .
C11 C12 C13 C14 -1.6(12) . . . .
C16 C12 C13 C14 177.2(7) . . . .
C12 C13 C14 C9 4.6(12) . . . .
C12 C13 C14 C17 -168.7(7) . . . .
C10 C9 C14 C13 -3.8(11) . . . .
C6 C9 C14 C13 172.7(7) . . . .
C10 C9 C14 C17 168.9(7) . . . .
C6 C9 C14 C17 -14.7(11) . . . .
Co1 O6 C15 O5 -7.6(7) 3_575 . . .
Co1 O6 C15 C10 169.4(5) 3_575 . . .
Co1 O5 C15 O6 7.3(7) 3_575 . . .
Co1 O5 C15 C10 -169.7(6) 3_575 . . .
C9 C10 C15 O6 110.2(8) . . . .
C11 C10 C15 O6 -71.2(9) . . . .
C9 C10 C15 O5 -72.7(10) . . . .
C11 C10 C15 O5 105.9(8) . . . .
C11 C12 C16 O8 -176.9(10) . . . .
C13 C12 C16 O8 4.4(14) . . . .
C11 C12 C16 O7 2.7(13) . . . .
C13 C12 C16 O7 -176.1(8) . . . .
Co1 O10 C17 O9 2.6(13) 2_545 . . .
Co1 O10 C17 C14 180.0(6) 2_545 . . .
Co2 O9 C17 O10 46.8(10) 2_545 . . .
Co2 O9 C17 C14 -130.6(6) 2_545 . . .
C13 C14 C17 O10 -43.7(9) . . . .
C9 C14 C17 O10 143.3(7) . . . .
C13 C14 C17 O9 133.9(7) . . . .
C9 C14 C17 O9 -39.1(10) . . . .
C22 N1 C18 C19 -2.5(13) . . . .
Co2 N1 C18 C19 170.6(7) . . . .
N1 C18 C19 C20 -1.4(15) . . . .
C18 C19 C20 C21 4.2(14) . . . .
C18 C19 C20 C23 -173.8(9) . . . .
C19 C20 C21 C22 -3.2(14) . . . .
C23 C20 C21 C22 174.7(9) . . . .
C18 N1 C22 C21 3.7(13) . . . .
Co2 N1 C22 C21 -169.8(7) . . . .
C20 C21 C22 N1 -0.8(15) . . . .
C19 C20 C23 C24 150.4(11) . . . .
C21 C20 C23 C24 -27.6(17) . . . .
C20 C23 C24 C25 -175.0(10) . . . .
C23 C24 C25 C29 -179.6(12) . . . .
C23 C24 C25 C26 2.7(18) . . . .
C29 C25 C26 C27 3.2(16) . . . .
C24 C25 C26 C27 -179.0(10) . . . .
C28 N2 C27 C26 0.2(14) . . . .
Co2 N2 C27 C26 167.2(8) 1_655 . . .
C25 C26 C27 N2 -2.0(15) . . . .
C27 N2 C28 C29 0.3(16) . . . .
Co2 N2 C28 C29 -164.7(9) 1_655 . . .
N2 C28 C29 C25 1.1(19) . . . .
C26 C25 C29 C28 -2.8(18) . . . .
C24 C25 C29 C28 179.5(11) . . . .
C34 N3 C30 C31 1.6(14) . . . .
Co1 N3 C30 C31 -163.6(8) . . . .
N3 C30 C31 C32 -0.4(16) . . . .
C30 C31 C32 C33 0.0(15) . . . .
C30 C31 C32 C35 175.7(10) . . . .
C31 C32 C33 C34 -0.8(15) . . . .
C35 C32 C33 C34 -176.6(9) . . . .
C30 N3 C34 C33 -2.5(14) . . . .
Co1 N3 C34 C33 161.9(8) . . . .
C32 C33 C34 N3 2.2(16) . . . .
C31 C32 C35 C36 -6.9(16) . . . .
C33 C32 C35 C36 168.6(10) . . . .
C32 C35 C36 C37 172.6(10) . . . .
C35 C36 C37 C41 -159.6(11) . . . .
C35 C36 C37 C38 21.3(17) . . . .
C41 C37 C38 C39 4.6(13) . . . .
C36 C37 C38 C39 -176.4(9) . . . .
C40 N4 C39 C38 -4.7(12) . . . .
Co1 N4 C39 C38 164.6(6) 1_655 . . .
C37 C38 C39 N4 1.2(13) . . . .
C39 N4 C40 C41 2.4(13) . . . .
Co1 N4 C40 C41 -166.5(7) 1_655 . . .
N4 C40 C41 C37 3.4(14) . . . .
C38 C37 C41 C40 -6.8(14) . . . .
C36 C37 C41 C40 174.1(9) . . . .
