#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:42:58 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180481 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/50/7215023.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_7215023
loop_
_publ_author_name
'Huang, Fu-Ping'
'Li, Hai-Ye'
'Yu, Qing'
'Bian, He-Dong'
'Tian, Jin-Lei'
'Yan, Shi-Ping'
'Liao, Dai-Zheng'
'Cheng, Peng'
_publ_section_title
;
 Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector:
 crystal structures and magnetic properties
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              4756
_journal_paper_doi               10.1039/c2ce25586c
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C32 H30 Co2 N10 O12'
_chemical_formula_weight         864.31
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_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                 94.02(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.2800(17)
_cell_length_b                   28.059(6)
_cell_length_c                   16.424(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3806.4(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0662
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30746
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.945
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_correction_T_min  0.685
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         6685
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.0851
_refine_ls_R_factor_gt           0.0658
_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)+(0.0455P)²+22.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1490
_reflns_number_gt                5530
_reflns_number_total             6685
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25586c.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (13
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (36
times).

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P21/C
_cod_database_code               7215023
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 0.23010(7) 0.42683(2) 0.84811(4) 0.02131(17) Uani 1 1 d . . .
Co2 Co -0.11951(7) 0.42146(2) 0.68869(4) 0.02192(18) Uani 1 1 d . . .
C1 C 0.2244(6) 0.40240(16) 0.6604(3) 0.0235(10) Uani 1 1 d . . .
C2 C 0.3440(6) 0.39913(19) 0.5990(3) 0.0298(12) Uani 1 1 d . . .
H2 H 0.3068 0.3935 0.5451 0.036 Uiso 1 1 calc R . .
C3 C 0.4978(6) 0.40359(19) 0.6153(3) 0.0293(11) Uani 1 1 d . . .
H3 H 0.5352 0.4078 0.6696 0.035 Uiso 1 1 calc R . .
C4 C 0.6189(6) 0.40243(18) 0.5529(3) 0.0280(11) Uani 1 1 d . . .
C5 C -0.1499(6) 0.45626(16) 0.8287(3) 0.0237(10) Uani 1 1 d . . .
C6 C -0.1648(6) 0.48387(18) 0.9031(3) 0.0269(11) Uani 1 1 d . . .
H6 H -0.0871 0.4804 0.9464 0.032 Uiso 1 1 calc R . .
C7 C -0.2849(6) 0.51327(19) 0.9100(3) 0.0338(12) Uani 1 1 d . . .
H7 H -0.3608 0.5154 0.8656 0.041 Uiso 1 1 calc R . .
C8 C -0.3125(7) 0.5436(2) 0.9814(3) 0.0345(13) Uani 1 1 d . . .
C9 C 0.0767(7) 0.34418(18) 0.9358(4) 0.0389(14) Uani 1 1 d . . .
H9 H 0.0253 0.3687 0.9620 0.047 Uiso 1 1 calc R . .
C10 C 0.0401(7) 0.29859(19) 0.9552(4) 0.0433(15) Uani 1 1 d . . .
H10 H -0.0343 0.2924 0.9938 0.052 Uiso 1 1 calc R . .
C11 C 0.1134(6) 0.26184(17) 0.9177(3) 0.0293(11) Uani 1 1 d . . .
C12 C 0.2242(8) 0.27377(19) 0.8638(4) 0.0450(15) Uani 1 1 d . . .
H12 H 0.2797 0.2500 0.8378 0.054 Uiso 1 1 calc R . .
C13 C 0.2537(7) 0.32001(19) 0.8480(4) 0.0426(15) Uani 1 1 d . . .
H13 H 0.3302 0.3271 0.8110 0.051 Uiso 1 1 calc R . .
C14 C 0.0723(7) 0.21239(18) 0.9343(3) 0.0322(12) Uani 1 1 d . . .
C15 C 0.0567(6) 0.13867(17) 0.9235(3) 0.0290(11) Uani 1 1 d . . .
C16 C 0.0725(6) 0.08947(18) 0.8998(3) 0.0309(12) Uani 1 1 d . . .
C17 C 0.1922(8) 0.0754(2) 0.8534(4) 0.0547(18) Uani 1 1 d . . .
H17 H 0.2677 0.0974 0.8372 0.066 Uiso 1 1 calc R . .
C18 C 0.2020(8) 0.0292(2) 0.8303(4) 0.0544(19) Uani 1 1 d . . .
H18 H 0.2851 0.0206 0.7980 0.065 Uiso 1 1 calc R . .
C19 C -0.0315(7) 0.05524(19) 0.9220(4) 0.0411(14) Uani 1 1 d . . .
H19 H -0.1158 0.0630 0.9542 0.049 Uiso 1 1 calc R . .
C20 C -0.0117(7) 0.00962(19) 0.8969(3) 0.0397(14) Uani 1 1 d . . .
H20 H -0.0837 -0.0132 0.9136 0.048 Uiso 1 1 calc R . .
C21 C 0.2104(8) 0.5333(2) 0.8435(4) 0.0459(15) Uani 1 1 d . . .
H21 H 0.1550 0.5270 0.8897 0.055 Uiso 1 1 calc R . .
C22 C 0.2176(8) 0.5791(2) 0.8171(4) 0.0521(17) Uani 1 1 d . . .
H22 H 0.1702 0.6035 0.8454 0.063 Uiso 1 1 calc R . .
C23 C 0.2955(7) 0.58894(18) 0.7481(3) 0.0341(12) Uani 1 1 d . . .
C24 C 0.3681(7) 0.55249(19) 0.7109(4) 0.0381(13) Uani 1 1 d . . .
H24 H 0.4244 0.5578 0.6647 0.046 Uiso 1 1 calc R . .
C25 C 0.3568(6) 0.50759(18) 0.7427(3) 0.0332(12) Uani 1 1 d . . .
H25 H 0.4082 0.4828 0.7173 0.040 Uiso 1 1 calc R . .
C26 C 0.2999(7) 0.63777(18) 0.7199(3) 0.0358(13) Uani 1 1 d . . .
C27 C 0.2767(7) 0.71078(18) 0.7108(3) 0.0376(13) Uani 1 1 d . . .
C28 C 0.2359(7) 0.75953(19) 0.7305(3) 0.0362(13) Uani 1 1 d . . .
C29 C 0.2908(8) 0.7967(2) 0.6887(4) 0.0515(17) Uani 1 1 d . . .
H29 H 0.3546 0.7916 0.6451 0.062 Uiso 1 1 calc R . .
C30 C 0.2525(8) 0.8417(2) 0.7105(4) 0.0488(17) Uani 1 1 d . . .
H30 H 0.2919 0.8669 0.6809 0.059 Uiso 1 1 calc R . .
C31 C 0.1416(9) 0.7695(2) 0.7926(4) 0.0548(18) Uani 1 1 d . . .
H31 H 0.1009 0.7448 0.8230 0.066 Uiso 1 1 calc R . .
C32 C 0.1069(8) 0.81514(19) 0.8103(4) 0.0481(16) Uani 1 1 d . . .
H32 H 0.0400 0.8210 0.8523 0.058 Uiso 1 1 calc R . .
H9A H 0.549(6) 0.426(2) 0.850(3) 0.06(2) Uiso 1 1 d D . .
H9B H 0.485(7) 0.420(2) 0.9225(14) 0.05(2) Uiso 1 1 d D . .
H4C H -0.083(7) 0.1346(18) 1.015(3) 0.054(19) Uiso 1 1 d D . .
H9C H 0.387(8) 0.633(2) 0.613(3) 0.07(2) Uiso 1 1 d D . .
N1 N 0.1800(5) 0.35570(14) 0.8823(3) 0.0276(9) Uani 1 1 d . . .
N2 N 0.1273(5) 0.17525(15) 0.8922(3) 0.0340(10) Uani 1 1 d . . .
N3 N -0.0240(6) 0.20036(15) 0.9905(3) 0.0427(12) Uani 1 1 d . . .
N4 N -0.0339(6) 0.15302(16) 0.9819(3) 0.0402(12) Uani 1 1 d D . .
N5 N 0.1019(5) -0.00429(15) 0.8508(3) 0.0303(10) Uani 1 1 d . . .
N6 N 0.2771(5) 0.49756(14) 0.8075(3) 0.0293(10) Uani 1 1 d . . .
N7 N 0.2471(6) 0.67428(16) 0.7596(3) 0.0409(12) Uani 1 1 d . . .
N8 N 0.3408(7) 0.69943(16) 0.6436(3) 0.0496(14) Uani 1 1 d . . .
N9 N 0.3541(7) 0.65184(16) 0.6501(3) 0.0469(13) Uani 1 1 d D . .
N10 N 0.1629(5) 0.85164(14) 0.7710(3) 0.0294(10) Uani 1 1 d . . .
O1 O 0.2735(4) 0.40393(13) 0.7327(2) 0.0297(8) Uani 1 1 d . . .
O2 O 0.0809(4) 0.40511(12) 0.6336(2) 0.0295(8) Uani 1 1 d . . .
O3 O 0.7639(4) 0.40526(13) 0.5783(2) 0.0295(8) Uani 1 1 d . . .
O4 O 0.5716(5) 0.39875(16) 0.4806(2) 0.0461(11) Uani 1 1 d . . .
O5 O -0.0155(4) 0.44022(11) 0.8111(2) 0.0258(7) Uani 1 1 d . . .
O6 O -0.2699(4) 0.44972(11) 0.7799(2) 0.0260(8) Uani 1 1 d . . .
O7 O -0.2051(4) 0.54663(12) 1.0374(2) 0.0278(8) Uani 1 1 d . . .
O8 O -0.4462(6) 0.5629(2) 0.9795(3) 0.086(2) Uani 1 1 d . . .
O9 O 0.4742(4) 0.41221(13) 0.8726(2) 0.0321(8) Uani 1 1 d D . .
O10 O 0.716(3) 0.3726(10) 0.0059(16) 0.189(13) Uani 0.443(19) 1 d PU A 1
O11 O 0.482(4) 0.2309(11) 0.0622(19) 0.211(14) Uani 0.443(19) 1 d PU A 1
O10' O 0.699(4) 0.3161(14) 0.054(2) 0.307(18) Uani 0.557(19) 1 d PU A 2
O11' O 0.599(3) 0.2624(10) 0.0211(15) 0.220(12) Uani 0.557(19) 1 d PU A 2
O12A O 0.308(3) 0.1722(8) 0.7367(15) 0.120(7) Uani 0.33 1 d PU B 2
O12B O 0.322(4) 0.1313(11) 0.6736(17) 0.155(10) Uani 0.33 1 d PU C 3
O12C O 0.181(3) 0.1607(10) 0.6694(15) 0.138(9) Uani 0.33 1 d PU D 1
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
_geom_angle_publ_flag
O9 Co1 O7 93.06(14) . 3_567 y
O9 Co1 O1 83.48(15) . . y
O7 Co1 O1 174.84(14) 3_567 . y
O9 Co1 N1 88.20(15) . . y
O7 Co1 N1 93.72(15) 3_567 . y
O1 Co1 N1 90.00(15) . . y
O9 Co1 N6 92.74(16) . . y
O7 Co1 N6 88.90(15) 3_567 . y
O1 Co1 N6 87.45(15) . . y
N1 Co1 N6 177.16(16) . . y
O9 Co1 O5 174.44(14) . . y
O7 Co1 O5 92.42(13) 3_567 . y
O1 Co1 O5 90.99(13) . . y
N1 Co1 O5 92.36(15) . . y
N6 Co1 O5 86.44(15) . . y
O2 Co2 O3 84.44(13) . 1_455 y
O2 Co2 N10 95.39(15) . 2_546 y
O3 Co2 N10 89.51(15) 1_455 2_546 y
O2 Co2 O5 100.63(13) . . y
O3 Co2 O5 174.93(12) 1_455 . y
N10 Co2 O5 90.00(14) 2_546 . y
O2 Co2 N5 90.55(15) . 2_556 y
O3 Co2 N5 89.20(15) 1_455 2_556 y
N10 Co2 N5 173.78(16) 2_546 2_556 y
O5 Co2 N5 90.75(14) . 2_556 y
O2 Co2 O6 159.01(14) . . y
O3 Co2 O6 115.87(13) 1_455 . y
N10 Co2 O6 90.26(14) 2_546 . y
O5 Co2 O6 59.08(12) . . y
N5 Co2 O6 84.83(14) 2_556 . y
O2 Co2 C5 129.74(15) . . y
O3 Co2 C5 145.29(15) 1_455 . y
N10 Co2 C5 92.49(15) 2_546 . y
O5 Co2 C5 29.72(13) . . y
N5 Co2 C5 85.12(15) 2_556 . y
O6 Co2 C5 29.53(14) . . y
O1 C1 O2 125.7(4) . . ?
O1 C1 C2 118.3(4) . . ?
O2 C1 C2 115.9(4) . . ?
C3 C2 C1 123.8(5) . . ?
C3 C2 H2 118.1 . . ?
C1 C2 H2 118.1 . . ?
C2 C3 C4 124.0(5) . . ?
C2 C3 H3 118.0 . . ?
C4 C3 H3 118.0 . . ?
O4 C4 O3 124.3(5) . . ?
O4 C4 C3 119.0(5) . . ?
O3 C4 C3 116.7(4) . . ?
O6 C5 O5 118.6(4) . . ?
O6 C5 C6 120.4(4) . . ?
O5 C5 C6 120.9(4) . . ?
O6 C5 Co2 58.8(2) . . ?
O5 C5 Co2 60.3(2) . . ?
C6 C5 Co2 170.6(4) . . ?
C7 C6 C5 121.3(5) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C6 C7 C8 126.5(5) . . ?
C6 C7 H7 116.8 . . ?
C8 C7 H7 116.8 . . ?
O8 C8 O7 126.0(5) . . ?
O8 C8 C7 114.9(5) . . ?
O7 C8 C7 119.1(5) . . ?
N1 C9 C10 123.9(5) . . ?
N1 C9 H9 118.1 . . ?
C10 C9 H9 118.1 . . ?
C9 C10 C11 119.5(5) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C12 C11 C10 116.7(5) . . ?
C12 C11 C14 122.2(5) . . ?
C10 C11 C14 121.1(5) . . ?
C11 C12 C13 120.1(5) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
N1 C13 C12 123.6(5) . . ?
N1 C13 H13 118.2 . . ?
C12 C13 H13 118.2 . . ?
N3 C14 N2 114.1(5) . . ?
N3 C14 C11 122.7(5) . . ?
N2 C14 C11 123.2(5) . . ?
N2 C15 N4 109.8(4) . . ?
N2 C15 C16 126.5(5) . . ?
N4 C15 C16 123.7(5) . . ?
C17 C16 C19 116.8(5) . . ?
C17 C16 C15 121.0(5) . . ?
C19 C16 C15 122.2(5) . . ?
C16 C17 C18 119.8(5) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
N5 C18 C17 124.2(5) . . ?
N5 C18 H18 117.9 . . ?
C17 C18 H18 117.9 . . ?
C16 C19 C20 119.5(5) . . ?
C16 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
N5 C20 C19 124.4(5) . . ?
N5 C20 H20 117.8 . . ?
C19 C20 H20 117.8 . . ?
N6 C21 C22 123.5(5) . . ?
N6 C21 H21 118.3 . . ?
C22 C21 H21 118.3 . . ?
C21 C22 C23 119.2(5) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C22 C23 C24 118.1(5) . . ?
C22 C23 C26 118.6(5) . . ?
C24 C23 C26 123.3(5) . . ?
C23 C24 C25 118.5(5) . . ?
C23 C24 H24 120.7 . . ?
C25 C24 H24 120.7 . . ?
N6 C25 C24 123.7(5) . . ?
N6 C25 H25 118.2 . . ?
C24 C25 H25 118.2 . . ?
N9 C26 N7 110.2(5) . . ?
N9 C26 C23 125.4(5) . . ?
N7 C26 C23 124.4(5) . . ?
N8 C27 N7 115.2(5) . . ?
N8 C27 C28 122.4(5) . . ?
N7 C27 C28 122.3(5) . . ?
C31 C28 C29 117.3(5) . . ?
C31 C28 C27 121.1(5) . . ?
C29 C28 C27 121.6(5) . . ?
C30 C29 C28 119.5(5) . . ?
C30 C29 H29 120.2 . . ?
C28 C29 H29 120.2 . . ?
N10 C30 C29 123.6(5) . . ?
N10 C30 H30 118.2 . . ?
C29 C30 H30 118.2 . . ?
C28 C31 C32 120.0(5) . . ?
C28 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
N10 C32 C31 123.2(5) . . ?
N10 C32 H32 118.4 . . ?
C31 C32 H32 118.4 . . ?
C9 N1 C13 116.3(5) . . ?
C9 N1 Co1 124.0(3) . . ?
C13 N1 Co1 119.7(4) . . ?
C15 N2 C14 103.3(4) . . ?
C14 N3 N4 102.6(4) . . ?
C15 N4 N3 110.2(4) . . ?
C15 N4 H4C 126(4) . . ?
N3 N4 H4C 123(4) . . ?
C20 N5 C18 115.4(5) . . ?
C20 N5 Co2 121.4(4) . 2_546 ?
C18 N5 Co2 123.2(4) . 2_546 ?
C25 N6 C21 116.9(5) . . ?
C25 N6 Co1 124.1(3) . . ?
C21 N6 Co1 118.6(4) . . ?
C26 N7 C27 102.7(5) . . ?
C27 N8 N9 102.3(5) . . ?
C26 N9 N8 109.6(5) . . ?
C26 N9 H9C 125(5) . . ?
N8 N9 H9C 125(5) . . ?
C32 N10 C30 116.4(5) . . ?
C32 N10 Co2 119.9(4) . 2_556 ?
C30 N10 Co2 123.6(4) . 2_556 ?
C1 O1 Co1 146.5(3) . . ?
C1 O2 Co2 131.3(3) . . ?
C4 O3 Co2 134.0(3) . 1_655 ?
C5 O5 Co1 148.1(3) . . ?
C5 O5 Co2 90.0(3) . . ?
Co1 O5 Co2 121.89(14) . . ?
C5 O6 Co2 91.6(3) . . ?
C8 O7 Co1 126.5(3) . 3_567 ?
Co1 O9 H9A 124(5) . . ?
Co1 O9 H9B 100(4) . . ?
H9A O9 H9B 106(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O9 2.074(4) . y
Co1 O7 2.046(3) 3_567 y
Co1 O1 2.057(3) . y
Co1 N1 2.122(4) . y
Co1 N6 2.138(4) . y
Co1 O5 2.115(3) . y
Co2 O2 1.998(3) . y
Co2 O3 2.045(3) 1_455 y
Co2 N10 2.107(4) 2_546 y
Co2 O5 2.195(3) . y
Co2 N5 2.190(4) 2_556 y
Co2 O6 2.164(3) . y
Co2 C5 2.528(5) . y
C1 O1 1.229(6) . ?
C1 O2 1.240(6) . ?
C1 C2 1.464(7) . ?
C2 C3 1.289(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.484(7) . ?
C3 H3 0.9300 . ?
C4 O4 1.229(6) . ?
C4 O3 1.246(6) . ?
C5 O6 1.246(6) . ?
C5 O5 1.253(6) . ?
C5 C6 1.458(7) . ?
C6 C7 1.303(7) . ?
C6 H6 0.9300 . ?
C7 C8 1.480(7) . ?
C7 H7 0.9300 . ?
C8 O8 1.230(7) . ?
C8 O7 1.237(6) . ?
C9 N1 1.309(7) . ?
C9 C10 1.358(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.365(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.361(8) . ?
C11 C14 1.459(7) . ?
C12 C13 1.349(7) . ?
C12 H12 0.9300 . ?
C13 N1 1.319(6) . ?
C13 H13 0.9300 . ?
C14 N3 1.305(7) . ?
C14 N2 1.347(7) . ?
C15 N2 1.304(6) . ?
C15 N4 1.321(7) . ?
C15 C16 1.443(7) . ?
C16 C17 1.351(8) . ?
C16 C19 1.357(7) . ?
C17 C18 1.357(8) . ?
C17 H17 0.9300 . ?
C18 N5 1.312(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.358(7) . ?
C19 H19 0.9300 . ?
C20 N5 1.307(7) . ?
C20 H20 0.9300 . ?
C21 N6 1.305(7) . ?
C21 C22 1.360(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.370(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.354(7) . ?
C23 C26 1.448(7) . ?
C24 C25 1.370(7) . ?
C24 H24 0.9300 . ?
C25 N6 1.321(7) . ?
C25 H25 0.9300 . ?
C26 N9 1.321(7) . ?
C26 N7 1.307(7) . ?
C27 N8 1.298(7) . ?
C27 N7 1.334(7) . ?
C27 C28 1.451(7) . ?
C28 C31 1.356(8) . ?
C28 C29 1.346(8) . ?
C29 C30 1.356(8) . ?
C29 H29 0.9300 . ?
C30 N10 1.312(7) . ?
C30 H30 0.9300 . ?
C31 C32 1.349(8) . ?
C31 H31 0.9300 . ?
C32 N10 1.312(7) . ?
C32 H32 0.9300 . ?
N3 N4 1.338(6) . ?
N4 H4C 0.87(2) . ?
N5 Co2 2.190(4) 2_546 ?
N8 N9 1.344(6) . ?
N9 H9C 0.87(2) . ?
N10 Co2 2.107(4) 2_556 ?
O3 Co2 2.045(3) 1_655 ?
O7 Co1 2.046(3) 3_567 ?
O9 H9A 0.84(2) . ?
O9 H9B 0.845(19) . ?
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
O1 C1 C2 C3 -8.8(8) . .
O2 C1 C2 C3 168.7(5) . .
C1 C2 C3 C4 -177.2(5) . .
C2 C3 C4 O4 2.8(8) . .
C2 C3 C4 O3 -177.1(5) . .
O2 Co2 C5 O6 174.8(2) . .
O3 Co2 C5 O6 6.6(4) 1_455 .
N10 Co2 C5 O6 -86.1(3) 2_546 .
O5 Co2 C5 O6 -171.8(4) . .
N5 Co2 C5 O6 88.1(3) 2_556 .
O2 Co2 C5 O5 -13.5(3) . .
O3 Co2 C5 O5 178.4(3) 1_455 .
N10 Co2 C5 O5 85.6(3) 2_546 .
N5 Co2 C5 O5 -100.1(3) 2_556 .
O6 Co2 C5 O5 171.8(4) . .
O2 Co2 C5 C6 86(2) . .
O3 Co2 C5 C6 -82(2) 1_455 .
N10 Co2 C5 C6 -175(2) 2_546 .
O5 Co2 C5 C6 100(2) . .
N5 Co2 C5 C6 0(2) 2_556 .
O6 Co2 C5 C6 -89(2) . .
O6 C5 C6 C7 -19.9(8) . .
O5 C5 C6 C7 157.3(5) . .
Co2 C5 C6 C7 63(2) . .
C5 C6 C7 C8 -179.2(5) . .
C6 C7 C8 O8 -169.2(6) . .
C6 C7 C8 O7 9.2(9) . .
N1 C9 C10 C11 -0.1(10) . .
C9 C10 C11 C12 1.9(9) . .
C9 C10 C11 C14 -177.4(6) . .
C10 C11 C12 C13 -1.8(9) . .
C14 C11 C12 C13 177.4(6) . .
C11 C12 C13 N1 -0.1(10) . .
C12 C11 C14 N3 174.4(6) . .
C10 C11 C14 N3 -6.4(9) . .
C12 C11 C14 N2 -7.0(9) . .
C10 C11 C14 N2 172.2(6) . .
N2 C15 C16 C17 14.7(9) . .
N4 C15 C16 C17 -165.1(6) . .
N2 C15 C16 C19 -164.7(6) . .
N4 C15 C16 C19 15.4(9) . .
C19 C16 C17 C18 1.0(10) . .
C15 C16 C17 C18 -178.5(6) . .
C16 C17 C18 N5 -0.6(12) . .
C17 C16 C19 C20 -0.4(9) . .
C15 C16 C19 C20 179.1(6) . .
C16 C19 C20 N5 -0.9(10) . .
N6 C21 C22 C23 1.4(11) . .
C21 C22 C23 C24 -2.6(10) . .
C21 C22 C23 C26 179.0(6) . .
C22 C23 C24 C25 1.5(9) . .
C26 C23 C24 C25 179.9(5) . .
C23 C24 C25 N6 0.9(9) . .
C22 C23 C26 N9 -172.0(6) . .
C24 C23 C26 N9 9.7(10) . .
C22 C23 C26 N7 6.5(9) . .
C24 C23 C26 N7 -171.9(6) . .
N8 C27 C28 C31 167.1(7) . .
N7 C27 C28 C31 -11.1(10) . .
N8 C27 C28 C29 -13.4(10) . .
N7 C27 C28 C29 168.3(6) . .
C31 C28 C29 C30 1.0(10) . .
C27 C28 C29 C30 -178.5(6) . .
C28 C29 C30 N10 -0.2(12) . .
C29 C28 C31 C32 -0.2(11) . .
C27 C28 C31 C32 179.3(6) . .
C28 C31 C32 N10 -1.4(11) . .
C10 C9 N1 C13 -1.8(9) . .
C10 C9 N1 Co1 177.3(5) . .
C12 C13 N1 C9 1.9(9) . .
C12 C13 N1 Co1 -177.3(5) . .
O9 Co1 N1 C9 128.2(5) . .
O7 Co1 N1 C9 35.2(5) 3_567 .
O1 Co1 N1 C9 -148.4(5) . .
N6 Co1 N1 C9 -122(3) . .
O5 Co1 N1 C9 -57.4(5) . .
O9 Co1 N1 C13 -52.7(4) . .
O7 Co1 N1 C13 -145.7(4) 3_567 .
O1 Co1 N1 C13 30.7(4) . .
N6 Co1 N1 C13 57(3) . .
O5 Co1 N1 C13 121.7(4) . .
N4 C15 N2 C14 -0.8(6) . .
C16 C15 N2 C14 179.4(5) . .
N3 C14 N2 C15 1.6(7) . .
C11 C14 N2 C15 -177.1(5) . .
N2 C14 N3 N4 -1.7(7) . .
C11 C14 N3 N4 177.0(5) . .
N2 C15 N4 N3 -0.2(7) . .
C16 C15 N4 N3 179.6(5) . .
C14 N3 N4 C15 1.1(7) . .
C19 C20 N5 C18 1.3(9) . .
C19 C20 N5 Co2 -178.5(5) . 2_546
C17 C18 N5 C20 -0.6(10) . .
C17 C18 N5 Co2 179.2(6) . 2_546
C24 C25 N6 C21 -2.0(8) . .
C24 C25 N6 Co1 171.0(4) . .
C22 C21 N6 C25 0.9(9) . .
C22 C21 N6 Co1 -172.6(6) . .
O9 Co1 N6 C25 63.9(4) . .
O7 Co1 N6 C25 157.0(4) 3_567 .
O1 Co1 N6 C25 -19.4(4) . .
N1 Co1 N6 C25 -45(3) . .
O5 Co1 N6 C25 -110.6(4) . .
O9 Co1 N6 C21 -123.1(5) . .
O7 Co1 N6 C21 -30.1(5) 3_567 .
O1 Co1 N6 C21 153.6(5) . .
N1 Co1 N6 C21 128(3) . .
O5 Co1 N6 C21 62.4(4) . .
N9 C26 N7 C27 -1.6(7) . .
C23 C26 N7 C27 179.8(6) . .
N8 C27 N7 C26 1.2(7) . .
C28 C27 N7 C26 179.6(6) . .
N7 C27 N8 N9 -0.3(8) . .
C28 C27 N8 N9 -178.7(6) . .
N7 C26 N9 N8 1.5(8) . .
C23 C26 N9 N8 -179.9(6) . .
C27 N8 N9 C26 -0.7(7) . .
C31 C32 N10 C30 2.1(10) . .
C31 C32 N10 Co2 -174.0(6) . 2_556
C29 C30 N10 C32 -1.3(10) . .
C29 C30 N10 Co2 174.6(6) . 2_556
O2 C1 O1 Co1 -25.2(9) . .
C2 C1 O1 Co1 152.0(5) . .
O9 Co1 O1 C1 -164.3(6) . .
O7 Co1 O1 C1 -116.3(15) 3_567 .
N1 Co1 O1 C1 107.5(6) . .
N6 Co1 O1 C1 -71.3(6) . .
O5 Co1 O1 C1 15.1(6) . .
O1 C1 O2 Co2 9.6(8) . .
C2 C1 O2 Co2 -167.7(3) . .
O3 Co2 O2 C1 -175.2(4) 1_455 .
N10 Co2 O2 C1 -86.2(4) 2_546 .
O5 Co2 O2 C1 4.8(4) . .
N5 Co2 O2 C1 95.7(4) 2_556 .
O6 Co2 O2 C1 18.8(7) . .
C5 Co2 O2 C1 11.6(5) . .
O4 C4 O3 Co2 169.0(4) . 1_655
C3 C4 O3 Co2 -11.1(7) . 1_655
O6 C5 O5 Co1 -172.0(4) . .
C6 C5 O5 Co1 10.7(9) . .
Co2 C5 O5 Co1 179.9(6) . .
O6 C5 O5 Co2 8.0(4) . .
C6 C5 O5 Co2 -169.2(4) . .
O9 Co1 O5 C5 -169.1(13) . .
O7 Co1 O5 C5 1.4(6) 3_567 .
O1 Co1 O5 C5 -174.7(6) . .
N1 Co1 O5 C5 95.2(6) . .
N6 Co1 O5 C5 -87.3(6) . .
O9 Co1 O5 Co2 10.8(16) . .
O7 Co1 O5 Co2 -178.66(18) 3_567 .
O1 Co1 O5 Co2 5.21(19) . .
N1 Co1 O5 Co2 -84.8(2) . .
N6 Co1 O5 Co2 92.6(2) . .
O2 Co2 O5 C5 169.5(3) . .
O3 Co2 O5 C5 -10.6(17) 1_455 .
N10 Co2 O5 C5 -95.0(3) 2_546 .
N5 Co2 O5 C5 78.8(3) 2_556 .
O6 Co2 O5 C5 -4.7(3) . .
O2 Co2 O5 Co1 -10.5(2) . .
O3 Co2 O5 Co1 169.5(14) 1_455 .
N10 Co2 O5 Co1 85.0(2) 2_546 .
N5 Co2 O5 Co1 -101.17(19) 2_556 .
O6 Co2 O5 Co1 175.3(2) . .
C5 Co2 O5 Co1 -180.0(4) . .
O5 C5 O6 Co2 -8.2(4) . .
C6 C5 O6 Co2 169.1(4) . .
O2 Co2 O6 C5 -11.3(5) . .
O3 Co2 O6 C5 -175.8(3) 1_455 .
N10 Co2 O6 C5 94.6(3) 2_546 .
O5 Co2 O6 C5 4.8(3) . .
N5 Co2 O6 C5 -89.2(3) 2_556 .
O8 C8 O7 Co1 12.8(9) . 3_567
C7 C8 O7 Co1 -165.4(4) . 3_567
