#------------------------------------------------------------------------------
#$Date: 2021-04-15 10:36:27 +0300 (Thu, 15 Apr 2021) $
#$Revision: 264189 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/17/1561796.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_1561796
loop_
_publ_author_name
'Han, Min-Le'
'Wu, Ya-Pan'
'Zhao, Jun'
'Li, Dong-Sheng'
'Wang, Yao-Yu'
_publ_section_title
;
 Two new Co(II)-MOFs based on polymeric chain building units: Crystal
 structures, and magnetic properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              218
_journal_page_last               223
_journal_paper_doi               10.1016/j.jssc.2015.07.001
_journal_volume                  230
_journal_year                    2015
_chemical_formula_sum            'C32 H25 Co2 N3 O11'
_chemical_formula_weight         745.41
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.0960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.9219(11)
_cell_length_b                   7.8232(6)
_cell_length_c                   23.3545(17)
_cell_measurement_temperature    273(2)
_cell_volume                     2904.8(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            17418
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.215
_exptl_absorpt_correction_T_max  0.8201
_exptl_absorpt_correction_T_min  0.7845
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.704
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.274
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       0.0020(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         5084
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0245
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0507P)²+1.0194P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0741
_reflns_number_gt                4657
_reflns_number_total             5084
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2015-230-218.cif
_cod_data_source_block           1
_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               1561796
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 0.750048(14) 0.56267(3) 0.034281(9) 0.01934(9) Uani 1 1 d . . .
Co2 Co 1.0000 1.5000 0.5000 0.01692(10) Uani 1 2 d S . .
Co3 Co 0.5000 0.5000 0.5000 0.01678(10) Uani 1 2 d S . .
O1 O 0.84390(8) 0.74474(16) 0.04209(5) 0.0262(3) Uani 1 1 d . . .
O2 O 0.89327(8) 1.01043(15) 0.05161(6) 0.0252(3) Uani 1 1 d . . .
O3 O 0.66144(8) 0.75588(18) 0.03986(5) 0.0303(3) Uani 1 1 d . . .
O4 O 0.59649(8) 0.99457(16) 0.06254(5) 0.0257(3) Uani 1 1 d . . .
O5 O 0.94710(8) 1.31905(17) 0.44271(5) 0.0272(3) Uani 1 1 d . . .
O6 O 0.91417(8) 1.47310(17) 0.36384(6) 0.0281(3) Uani 1 1 d . . .
O7 O 0.75387(8) 0.91566(18) 0.44407(5) 0.0288(3) Uani 1 1 d . . .
O8 O 0.64818(8) 1.05081(18) 0.47940(5) 0.0274(3) Uani 1 1 d . . .
O9 O 0.84114(10) 0.36022(19) 0.02539(6) 0.0403(4) Uani 1 1 d D . .
H9A H 0.8568 0.3595 -0.0075 0.061 Uiso 1 1 calc RD . .
H9B H 0.8486(16) 0.267(2) 0.0432(7) 0.061 Uiso 1 1 d D . .
O10 O 1.05238(8) 1.30050(17) 0.54744(5) 0.0279(3) Uani 1 1 d D . .
H10A H 1.0892 1.2551 0.5295 0.042 Uiso 1 1 calc RD . .
H10B H 1.0720(11) 1.342(3) 0.5790(6) 0.042 Uiso 1 1 d D . .
O11 O 0.49260(8) 0.77184(17) 0.49218(6) 0.0295(3) Uani 1 1 d D . .
H11A H 0.5374 0.8144 0.5037 0.044 Uiso 1 1 calc RD . .
H11B H 0.4506(6) 0.832(2) 0.5012(10) 0.044 Uiso 1 1 d D . .
N1 N 0.73852(10) 0.49616(19) 0.12088(6) 0.0245(3) Uani 1 1 d . . .
N2 N 0.75411(10) 0.5342(2) 0.30037(6) 0.0266(3) Uani 1 1 d . . .
H2A H 0.8053 0.5475 0.3134 0.032 Uiso 1 1 calc R . .
N3 N 0.58526(9) 0.51769(19) 0.43235(6) 0.0221(3) Uani 1 1 d . . .
C1 C 0.84835(10) 0.8887(2) 0.06664(7) 0.0191(3) Uani 1 1 d . . .
C2 C 0.80120(10) 0.9188(2) 0.11985(7) 0.0183(3) Uani 1 1 d . . .
C3 C 0.71388(10) 0.9201(2) 0.12136(7) 0.0180(3) Uani 1 1 d . . .
C4 C 0.65384(10) 0.8865(2) 0.07029(7) 0.0186(3) Uani 1 1 d . . .
C5 C 0.67807(11) 0.9611(2) 0.17240(7) 0.0206(4) Uani 1 1 d . . .
H5A H 0.6197 0.9658 0.1726 0.025 Uiso 1 1 calc R . .
C6 C 0.72438(11) 0.9955(2) 0.22342(7) 0.0193(4) Uani 1 1 d . . .
C7 C 0.81333(11) 0.9878(2) 0.22212(7) 0.0195(4) Uani 1 1 d . . .
C8 C 0.84896(11) 0.9542(2) 0.17013(7) 0.0209(4) Uani 1 1 d . . .
H8A H 0.9072 0.9555 0.1690 0.025 Uiso 1 1 calc R . .
C9 C 0.87218(10) 1.0093(2) 0.27337(7) 0.0203(4) Uani 1 1 d . . .
C10 C 0.87473(10) 1.1585(2) 0.30547(7) 0.0214(4) Uani 1 1 d . . .
H10C H 0.8413 1.2508 0.2937 0.026 Uiso 1 1 calc R . .
C11 C 0.92699(10) 1.1717(2) 0.35522(7) 0.0202(4) Uani 1 1 d . . .
C12 C 0.97655(11) 1.0338(2) 0.37285(8) 0.0240(4) Uani 1 1 d . . .
H12A H 1.0087 1.0391 0.4072 0.029 Uiso 1 1 calc R . .
C13 C 0.97808(11) 0.8882(2) 0.33919(8) 0.0265(4) Uani 1 1 d . . .
H13A H 1.0136 0.7981 0.3499 0.032 Uiso 1 1 calc R . .
C14 C 0.92662(11) 0.8766(2) 0.28947(8) 0.0256(4) Uani 1 1 d . . .
H14A H 0.9285 0.7793 0.2667 0.031 Uiso 1 1 calc R . .
C15 C 0.92942(10) 1.3353(2) 0.38944(7) 0.0207(4) Uani 1 1 d . . .
C16 C 0.67630(11) 1.0389(2) 0.27467(7) 0.0205(4) Uani 1 1 d . . .
C17 C 0.70104(11) 0.9913(2) 0.33072(7) 0.0201(4) Uani 1 1 d . . .
H17A H 0.7504 0.9292 0.3375 0.024 Uiso 1 1 calc R . .
C18 C 0.65304(11) 1.0352(2) 0.37668(7) 0.0209(4) Uani 1 1 d . . .
C19 C 0.57711(11) 1.1212(3) 0.36705(7) 0.0259(4) Uani 1 1 d . . .
H19A H 0.5441 1.1474 0.3975 0.031 Uiso 1 1 calc R . .
C20 C 0.55112(11) 1.1675(3) 0.31168(8) 0.0280(4) Uani 1 1 d . . .
H20A H 0.5004 1.2247 0.3049 0.034 Uiso 1 1 calc R . .
C21 C 0.60027(11) 1.1290(2) 0.26634(7) 0.0247(4) Uani 1 1 d . . .
H21A H 0.5826 1.1635 0.2295 0.030 Uiso 1 1 calc R . .
C22 C 0.68662(12) 0.9965(2) 0.43614(7) 0.0218(4) Uani 1 1 d . . .
C23 C 0.81115(12) 0.4971(2) 0.15258(8) 0.0267(4) Uani 1 1 d . . .
H23A H 0.8608 0.4899 0.1335 0.032 Uiso 1 1 calc R . .
C24 C 0.81720(12) 0.5080(2) 0.21105(8) 0.0254(4) Uani 1 1 d . . .
H24A H 0.8698 0.5080 0.2305 0.030 Uiso 1 1 calc R . .
C25 C 0.74416(11) 0.5193(2) 0.24182(8) 0.0217(4) Uani 1 1 d . . .
C26 C 0.66799(12) 0.5079(2) 0.20913(8) 0.0274(4) Uani 1 1 d . . .
H26A H 0.6173 0.5071 0.2271 0.033 Uiso 1 1 calc R . .
C27 C 0.66839(12) 0.4980(2) 0.15050(8) 0.0277(4) Uani 1 1 d . . .
H27A H 0.6168 0.4922 0.1299 0.033 Uiso 1 1 calc R . .
C28 C 0.69478(11) 0.5315(2) 0.34225(8) 0.0227(4) Uani 1 1 d . . .
C29 C 0.61445(11) 0.6015(2) 0.33655(8) 0.0257(4) Uani 1 1 d . . .
H29A H 0.5957 0.6542 0.3025 0.031 Uiso 1 1 calc R . .
C30 C 0.56308(11) 0.5916(2) 0.38196(7) 0.0246(4) Uani 1 1 d . . .
H30A H 0.5096 0.6393 0.3774 0.030 Uiso 1 1 calc R . .
C31 C 0.66360(11) 0.4556(2) 0.43811(8) 0.0250(4) Uani 1 1 d . . .
H31A H 0.6812 0.4067 0.4730 0.030 Uiso 1 1 calc R . .
C32 C 0.71933(12) 0.4601(3) 0.39540(8) 0.0275(4) Uani 1 1 d . . .
H32A H 0.7732 0.4159 0.4018 0.033 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_1
_geom_angle_site_symmetry_3
O1 Co1 O3 89.04(5) . .
O1 Co1 N1 100.70(6) . .
O3 Co1 N1 91.43(6) . .
O1 Co1 O7 88.46(5) . 4_575
O3 Co1 O7 93.45(5) . 4_575
N1 Co1 O7 169.69(6) . 4_575
O1 Co1 O9 91.59(6) . .
O3 Co1 O9 178.04(5) . .
N1 Co1 O9 90.28(6) . .
O7 Co1 O9 84.70(5) 4_575 .
O1 Co1 O8 146.84(5) . 4_575
O3 Co1 O8 81.27(5) . 4_575
N1 Co1 O8 111.11(5) . 4_575
O7 Co1 O8 60.82(5) 4_575 4_575
O9 Co1 O8 97.21(6) . 4_575
O1 Co1 C22 117.62(5) . 4_575
O3 Co1 C22 87.13(5) . 4_575
N1 Co1 C22 141.60(6) . 4_575
O7 Co1 C22 29.98(5) 4_575 4_575
O9 Co1 C22 90.93(6) . 4_575
O8 Co1 C22 30.85(5) 4_575 4_575
O10 Co2 O10 180.00(6) 3_786 .
O10 Co2 O5 88.21(5) 3_786 3_786
O10 Co2 O5 91.79(5) . 3_786
O10 Co2 O5 91.79(5) 3_786 .
O10 Co2 O5 88.21(5) . .
O5 Co2 O5 180.00(5) 3_786 .
O10 Co2 O2 88.79(5) 3_786 2_755
O10 Co2 O2 91.21(5) . 2_755
O5 Co2 O2 91.71(5) 3_786 2_755
O5 Co2 O2 88.29(5) . 2_755
O10 Co2 O2 91.21(5) 3_786 4_586
O10 Co2 O2 88.79(5) . 4_586
O5 Co2 O2 88.29(5) 3_786 4_586
O5 Co2 O2 91.71(5) . 4_586
O2 Co2 O2 180.0 2_755 4_586
O4 Co3 O4 180.0 4_576 2_645
O4 Co3 O11 94.33(5) 4_576 .
O4 Co3 O11 85.67(5) 2_645 .
O4 Co3 O11 85.67(5) 4_576 3_666
O4 Co3 O11 94.33(5) 2_645 3_666
O11 Co3 O11 180.0 . 3_666
O4 Co3 N3 92.49(6) 4_576 .
O4 Co3 N3 87.51(6) 2_645 .
O11 Co3 N3 84.66(5) . .
O11 Co3 N3 95.34(5) 3_666 .
O4 Co3 N3 87.51(6) 4_576 3_666
O4 Co3 N3 92.49(6) 2_645 3_666
O11 Co3 N3 95.34(5) . 3_666
O11 Co3 N3 84.66(5) 3_666 3_666
N3 Co3 N3 180.0 . 3_666
C1 O1 Co1 132.62(11) . .
C1 O2 Co2 127.76(11) . 2_745
C4 O3 Co1 135.65(11) . .
C4 O4 Co3 128.80(11) . 2_655
C15 O5 Co2 128.33(12) . .
C22 O7 Co1 92.09(10) . 4_576
C22 O8 Co1 87.53(10) . 4_576
Co1 O9 H9A 109.5 . .
Co1 O9 H9B 131.4(14) . .
H9A O9 H9B 114.4 . .
Co2 O10 H10A 109.5 . .
Co2 O10 H10B 107.3(16) . .
H10A O10 H10B 111.6 . .
Co3 O11 H11A 109.5 . .
Co3 O11 H11B 124.4(15) . .
H11A O11 H11B 112.1 . .
C23 N1 C27 115.59(16) . .
C23 N1 Co1 114.34(12) . .
C27 N1 Co1 127.52(13) . .
C25 N2 C28 130.56(16) . .
C25 N2 H2A 114.7 . .
C28 N2 H2A 114.7 . .
C30 N3 C31 116.39(15) . .
C30 N3 Co3 121.84(12) . .
C31 N3 Co3 121.78(12) . .
O2 C1 O1 124.70(15) . .
O2 C1 C2 115.48(15) . .
O1 C1 C2 119.73(15) . .
C8 C2 C3 118.53(15) . .
C8 C2 C1 116.98(14) . .
C3 C2 C1 124.43(14) . .
C5 C3 C2 118.76(15) . .
C5 C3 C4 116.55(14) . .
C2 C3 C4 124.65(14) . .
O4 C4 O3 124.11(15) . .
O4 C4 C3 114.98(15) . .
O3 C4 C3 120.88(15) . .
C3 C5 C6 123.83(16) . .
C3 C5 H5A 118.1 . .
C6 C5 H5A 118.1 . .
C5 C6 C7 117.14(15) . .
C5 C6 C16 117.29(15) . .
C7 C6 C16 125.56(15) . .
C8 C7 C6 118.71(16) . .
C8 C7 C9 116.99(15) . .
C6 C7 C9 124.28(15) . .
C2 C8 C7 122.92(16) . .
C2 C8 H8A 118.5 . .
C7 C8 H8A 118.5 . .
C10 C9 C14 118.84(16) . .
C10 C9 C7 121.90(16) . .
C14 C9 C7 119.26(15) . .
C9 C10 C11 120.72(16) . .
C9 C10 H10C 119.6 . .
C11 C10 H10C 119.6 . .
C12 C11 C10 119.62(16) . .
C12 C11 C15 120.33(15) . .
C10 C11 C15 120.04(15) . .
C13 C12 C11 119.91(16) . .
C13 C12 H12A 120.0 . .
C11 C12 H12A 120.0 . .
C12 C13 C14 120.05(17) . .
C12 C13 H13A 120.0 . .
C14 C13 H13A 120.0 . .
C9 C14 C13 120.59(17) . .
C9 C14 H14A 119.7 . .
C13 C14 H14A 119.7 . .
O6 C15 O5 125.68(16) . .
O6 C15 C11 118.66(14) . .
O5 C15 C11 115.67(15) . .
C17 C16 C21 117.43(16) . .
C17 C16 C6 124.00(16) . .
C21 C16 C6 118.55(15) . .
C18 C17 C16 121.14(16) . .
C18 C17 H17A 119.4 . .
C16 C17 H17A 119.4 . .
C17 C18 C19 120.17(16) . .
C17 C18 C22 118.86(16) . .
C19 C18 C22 120.90(15) . .
C20 C19 C18 119.40(16) . .
C20 C19 H19A 120.3 . .
C18 C19 H19A 120.3 . .
C19 C20 C21 120.34(16) . .
C19 C20 H20A 119.8 . .
C21 C20 H20A 119.8 . .
C20 C21 C16 121.46(16) . .
C20 C21 H21A 119.3 . .
C16 C21 H21A 119.3 . .
O7 C22 O8 119.55(16) . .
O7 C22 C18 120.15(15) . .
O8 C22 C18 120.26(16) . .
O7 C22 Co1 57.93(9) . 4_576
O8 C22 Co1 61.62(9) . 4_576
C18 C22 Co1 177.04(13) . 4_576
N1 C23 C24 124.40(17) . .
N1 C23 H23A 117.8 . .
C24 C23 H23A 117.8 . .
C23 C24 C25 120.02(18) . .
C23 C24 H24A 120.0 . .
C25 C24 H24A 120.0 . .
N2 C25 C26 126.74(16) . .
N2 C25 C24 117.47(16) . .
C26 C25 C24 115.75(16) . .
C27 C26 C25 119.81(17) . .
C27 C26 H26A 120.1 . .
C25 C26 H26A 120.1 . .
N1 C27 C26 124.24(18) . .
N1 C27 H27A 117.9 . .
C26 C27 H27A 117.9 . .
C29 C28 N2 125.47(16) . .
C29 C28 C32 116.99(16) . .
N2 C28 C32 117.46(16) . .
C30 C29 C28 119.09(17) . .
C30 C29 H29A 120.5 . .
C28 C29 H29A 120.5 . .
N3 C30 C29 124.12(16) . .
N3 C30 H30A 117.9 . .
C29 C30 H30A 117.9 . .
N3 C31 C32 123.64(17) . .
N3 C31 H31A 118.2 . .
C32 C31 H31A 118.2 . .
C31 C32 C28 119.70(17) . .
C31 C32 H32A 120.1 . .
C28 C32 H32A 120.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.0654(12) .
Co1 O3 2.0765(13) .
Co1 N1 2.1060(15) .
Co1 O7 2.1177(12) 4_575
Co1 O9 2.1651(14) .
Co1 O8 2.1992(13) 4_575
Co1 C22 2.4974(18) 4_575
Co2 O10 2.0638(13) 3_786
Co2 O10 2.0638(13) .
Co2 O5 2.0933(12) 3_786
Co2 O5 2.0933(12) .
Co2 O2 2.1374(12) 2_755
Co2 O2 2.1374(12) 4_586
Co3 O4 2.0623(12) 4_576
Co3 O4 2.0623(12) 2_645
Co3 O11 2.1372(14) .
Co3 O11 2.1372(14) 3_666
Co3 N3 2.1424(14) .
Co3 N3 2.1424(14) 3_666
O1 C1 1.264(2) .
O2 C1 1.253(2) .
O2 Co2 2.1374(12) 2_745
O3 C4 1.254(2) .
O4 C4 1.251(2) .
O4 Co3 2.0623(12) 2_655
O5 C15 1.267(2) .
O6 C15 1.250(2) .
O7 C22 1.249(2) .
O7 Co1 2.1177(12) 4_576
O8 C22 1.282(2) .
O8 Co1 2.1992(13) 4_576
O9 H9A 0.8200 .
O9 H9B 0.847(9) .
O10 H10A 0.8200 .
O10 H10B 0.849(9) .
O11 H11A 0.8200 .
O11 H11B 0.851(9) .
N1 C23 1.339(3) .
N1 C27 1.345(2) .
N2 C25 1.373(2) .
N2 C28 1.396(2) .
N2 H2A 0.8600 .
N3 C30 1.341(2) .
N3 C31 1.338(2) .
C1 C2 1.505(2) .
C2 C8 1.392(2) .
C2 C3 1.393(2) .
C3 C5 1.386(2) .
C3 C4 1.511(2) .
C5 C6 1.393(2) .
C5 H5A 0.9300 .
C6 C7 1.420(2) .
C6 C16 1.494(2) .
C7 C8 1.393(2) .
C7 C9 1.489(2) .
C8 H8A 0.9300 .
C9 C10 1.387(2) .
C9 C14 1.391(3) .
C10 C11 1.396(2) .
C10 H10C 0.9300 .
C11 C12 1.386(3) .
C11 C15 1.508(2) .
C12 C13 1.385(3) .
C12 H12A 0.9300 .
C13 C14 1.387(3) .
C13 H13A 0.9300 .
C14 H14A 0.9300 .
C16 C17 1.397(2) .
C16 C21 1.405(3) .
C17 C18 1.394(2) .
C17 H17A 0.9300 .
C18 C19 1.391(3) .
C18 C22 1.492(2) .
C19 C20 1.384(3) .
C19 H19A 0.9300 .
C20 C21 1.383(3) .
C20 H20A 0.9300 .
C21 H21A 0.9300 .
C22 Co1 2.4974(18) 4_576
C23 C24 1.367(3) .
C23 H23A 0.9300 .
C24 C25 1.402(3) .
C24 H24A 0.9300 .
C25 C26 1.401(3) .
C26 C27 1.372(3) .
C26 H26A 0.9300 .
C27 H27A 0.9300 .
C28 C29 1.391(3) .
C28 C32 1.398(3) .
C29 C30 1.376(2) .
C29 H29A 0.9300 .
C30 H30A 0.9300 .
C31 C32 1.371(3) .
C31 H31A 0.9300 .
C32 H32A 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
O3 Co1 O1 C1 28.93(15) . . . .
N1 Co1 O1 C1 -62.34(16) . . . .
O7 Co1 O1 C1 122.41(16) 4_575 . . .
O9 Co1 O1 C1 -152.93(15) . . . .
O8 Co1 O1 C1 101.28(16) 4_575 . . .
C22 Co1 O1 C1 115.19(15) 4_575 . . .
O1 Co1 O3 C4 -43.33(17) . . . .
N1 Co1 O3 C4 57.36(18) . . . .
O7 Co1 O3 C4 -131.72(17) 4_575 . . .
O9 Co1 O3 C4 -152.1(17) . . . .
O8 Co1 O3 C4 168.50(18) 4_575 . . .
C22 Co1 O3 C4 -161.04(18) 4_575 . . .
O10 Co2 O5 C15 29.21(14) 3_786 . . .
O10 Co2 O5 C15 -150.79(14) . . . .
O5 Co2 O5 C15 178(100) 3_786 . . .
O2 Co2 O5 C15 -59.52(14) 2_755 . . .
O2 Co2 O5 C15 120.48(14) 4_586 . . .
O1 Co1 N1 C23 -35.55(14) . . . .
O3 Co1 N1 C23 -124.84(13) . . . .
O7 Co1 N1 C23 116.9(3) 4_575 . . .
O9 Co1 N1 C23 56.12(14) . . . .
O8 Co1 N1 C23 153.97(13) 4_575 . . .
C22 Co1 N1 C23 147.98(13) 4_575 . . .
O1 Co1 N1 C27 125.35(16) . . . .
O3 Co1 N1 C27 36.05(16) . . . .
O7 Co1 N1 C27 -82.2(4) 4_575 . . .
O9 Co1 N1 C27 -142.98(16) . . . .
O8 Co1 N1 C27 -45.14(17) 4_575 . . .
C22 Co1 N1 C27 -51.1(2) 4_575 . . .
O4 Co3 N3 C30 -150.72(14) 4_576 . . .
O4 Co3 N3 C30 29.28(14) 2_645 . . .
O11 Co3 N3 C30 -56.60(14) . . . .
O11 Co3 N3 C30 123.40(14) 3_666 . . .
N3 Co3 N3 C30 -171(100) 3_666 . . .
O4 Co3 N3 C31 29.25(15) 4_576 . . .
O4 Co3 N3 C31 -150.75(15) 2_645 . . .
O11 Co3 N3 C31 123.37(15) . . . .
O11 Co3 N3 C31 -56.63(15) 3_666 . . .
N3 Co3 N3 C31 8(100) 3_666 . . .
Co2 O2 C1 O1 -19.8(2) 2_745 . . .
Co2 O2 C1 C2 156.72(11) 2_745 . . .
Co1 O1 C1 O2 -152.27(13) . . . .
Co1 O1 C1 C2 31.3(2) . . . .
O2 C1 C2 C8 -59.8(2) . . . .
O1 C1 C2 C8 116.87(18) . . . .
O2 C1 C2 C3 117.51(19) . . . .
O1 C1 C2 C3 -65.8(2) . . . .
C8 C2 C3 C5 1.7(2) . . . .
C1 C2 C3 C5 -175.62(16) . . . .
C8 C2 C3 C4 179.21(16) . . . .
C1 C2 C3 C4 1.9(3) . . . .
Co3 O4 C4 O3 -0.9(3) 2_655 . . .
Co3 O4 C4 C3 -178.92(11) 2_655 . . .
Co1 O3 C4 O4 173.83(13) . . . .
Co1 O3 C4 C3 -8.3(3) . . . .
C5 C3 C4 O4 47.1(2) . . . .
C2 C3 C4 O4 -130.42(17) . . . .
C5 C3 C4 O3 -130.91(17) . . . .
C2 C3 C4 O3 51.5(2) . . . .
C2 C3 C5 C6 -2.4(3) . . . .
C4 C3 C5 C6 179.90(16) . . . .
C3 C5 C6 C7 0.1(3) . . . .
C3 C5 C6 C16 179.56(16) . . . .
C5 C6 C7 C8 2.7(2) . . . .
C16 C6 C7 C8 -176.66(16) . . . .
C5 C6 C7 C9 -175.71(16) . . . .
C16 C6 C7 C9 4.9(3) . . . .
C3 C2 C8 C7 1.2(3) . . . .
C1 C2 C8 C7 178.72(16) . . . .
C6 C7 C8 C2 -3.5(3) . . . .
C9 C7 C8 C2 175.07(16) . . . .
C8 C7 C9 C10 120.97(18) . . . .
C6 C7 C9 C10 -60.6(2) . . . .
C8 C7 C9 C14 -58.7(2) . . . .
C6 C7 C9 C14 119.78(19) . . . .
C14 C9 C10 C11 -4.1(2) . . . .
C7 C9 C10 C11 176.25(16) . . . .
C9 C10 C11 C12 -0.3(2) . . . .
C9 C10 C11 C15 179.61(15) . . . .
C10 C11 C12 C13 4.2(3) . . . .
C15 C11 C12 C13 -175.77(16) . . . .
C11 C12 C13 C14 -3.5(3) . . . .
C10 C9 C14 C13 4.8(3) . . . .
C7 C9 C14 C13 -175.57(16) . . . .
C12 C13 C14 C9 -1.0(3) . . . .
Co2 O5 C15 O6 -24.9(2) . . . .
Co2 O5 C15 C11 155.19(11) . . . .
C12 C11 C15 O6 151.21(17) . . . .
C10 C11 C15 O6 -28.7(2) . . . .
C12 C11 C15 O5 -28.8(2) . . . .
C10 C11 C15 O5 151.23(15) . . . .
C5 C6 C16 C17 144.92(18) . . . .
C7 C6 C16 C17 -35.7(3) . . . .
C5 C6 C16 C21 -33.3(2) . . . .
C7 C6 C16 C21 146.10(18) . . . .
C21 C16 C17 C18 -1.5(3) . . . .
C6 C16 C17 C18 -179.69(16) . . . .
C16 C17 C18 C19 3.0(3) . . . .
C16 C17 C18 C22 -173.95(16) . . . .
C17 C18 C19 C20 -2.1(3) . . . .
C22 C18 C19 C20 174.75(17) . . . .
C18 C19 C20 C21 -0.2(3) . . . .
C19 C20 C21 C16 1.6(3) . . . .
C17 C16 C21 C20 -0.8(3) . . . .
C6 C16 C21 C20 177.51(17) . . . .
Co1 O7 C22 O8 -0.29(18) 4_576 . . .
Co1 O7 C22 C18 177.36(14) 4_576 . . .
Co1 O8 C22 O7 0.28(17) 4_576 . . .
Co1 O8 C22 C18 -177.37(15) 4_576 . . .
C17 C18 C22 O7 -4.8(3) . . . .
C19 C18 C22 O7 178.32(17) . . . .
C17 C18 C22 O8 172.83(16) . . . .
C19 C18 C22 O8 -4.0(3) . . . .
C17 C18 C22 Co1 44(3) . . . 4_576
C19 C18 C22 Co1 -133(2) . . . 4_576
C27 N1 C23 C24 -3.3(3) . . . .
Co1 N1 C23 C24 160.00(16) . . . .
N1 C23 C24 C25 0.0(3) . . . .
C28 N2 C25 C26 4.5(3) . . . .
C28 N2 C25 C24 -173.09(18) . . . .
C23 C24 C25 N2 -178.41(17) . . . .
C23 C24 C25 C26 3.7(3) . . . .
N2 C25 C26 C27 178.27(18) . . . .
C24 C25 C26 C27 -4.1(3) . . . .
C23 N1 C27 C26 2.8(3) . . . .
Co1 N1 C27 C26 -157.85(15) . . . .
C25 C26 C27 N1 0.9(3) . . . .
C25 N2 C28 C29 -36.9(3) . . . .
C25 N2 C28 C32 146.6(2) . . . .
N2 C28 C29 C30 -178.90(17) . . . .
C32 C28 C29 C30 -2.3(3) . . . .
C31 N3 C30 C29 2.2(3) . . . .
Co3 N3 C30 C29 -177.85(14) . . . .
C28 C29 C30 N3 -0.1(3) . . . .
C30 N3 C31 C32 -1.9(3) . . . .
Co3 N3 C31 C32 178.16(15) . . . .
N3 C31 C32 C28 -0.5(3) . . . .
C29 C28 C32 C31 2.6(3) . . . .
N2 C28 C32 C31 179.47(18) . . . .
