#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:41:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179858 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/54/7015428.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_7015428
loop_
_publ_author_name
'Sun, Ya-Qiu'
'Gao, Dong-Zhao'
'Xu, Yan-Yan'
'Zhang, Guo-Ying'
'Fan, Lan-Lan'
'Li, Cheng-Peng'
'Hu, Tong-Liang'
'Liao, Dai-Zheng'
'Zhang, Chen-Xi'
_publ_section_title
;
 Coordination polymers of macrocyclic oxamide with
 1,3,5-benzenetricarboxylate: syntheses, crystal structures and
 magnetic properties.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5528
_journal_page_last               5537
_journal_paper_doi               10.1039/c0dt01584a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C28 H24 Co2 N4 Ni O11'
_chemical_formula_weight         769.08
_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                100.960(13)
_cell_angle_beta                 108.179(12)
_cell_angle_gamma                109.137(12)
_cell_formula_units_Z            2
_cell_length_a                   10.149(7)
_cell_length_b                   12.422(9)
_cell_length_c                   13.888(10)
_cell_measurement_reflns_used    2005
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.76
_cell_measurement_theta_min      3.00
_cell_volume                     1485.8(18)
_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 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0950
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7420
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    1.799
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.167268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.590
_refine_diff_density_min         -1.184
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5175
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.1116
_refine_ls_R_factor_gt           0.0719
_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)+(0.1263P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1831
_refine_ls_wR_factor_ref         0.2080
_reflns_number_gt                3217
_reflns_number_total             5175
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01584a.txt
_cod_data_source_block           100110c
_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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' 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_enum 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015428
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
Ni1 Ni 0.33347(12) 0.26375(8) 0.54512(8) 0.0429(3) Uani 1 1 d . . .
Co1 Co 0.08183(11) 0.05192(8) 0.12402(7) 0.0312(3) Uani 1 1 d . . .
Co2 Co 0.21131(12) 0.24400(8) 0.00026(9) 0.0400(3) Uani 1 1 d . . .
O1 O 0.2927(6) 0.1800(4) 0.2461(4) 0.0426(12) Uani 1 1 d . . .
O2 O 0.0349(6) 0.0482(4) 0.2599(4) 0.0416(12) Uani 1 1 d . . .
O3 O 0.4327(6) 0.3292(5) 0.0608(5) 0.0534(15) Uani 1 1 d . . .
O4 O 0.4518(6) 0.1574(5) 0.0100(5) 0.0576(16) Uani 1 1 d . . .
O5 O 0.9828(6) 0.1759(4) 0.1216(4) 0.0427(13) Uani 1 1 d . . .
O6 O 1.1461(6) 0.3303(4) 0.0979(5) 0.0431(13) Uani 1 1 d . . .
O7 O 1.0930(7) 0.7182(5) 0.1692(6) 0.0658(19) Uani 1 1 d . . .
O8 O 0.8577(6) 0.7105(4) 0.1265(5) 0.0493(14) Uani 1 1 d . . .
O9 O 0.1298(5) 0.0755(4) -0.0082(4) 0.0304(10) Uani 1 1 d . . .
H9A H 0.1979 0.0600 -0.0234 0.046 Uiso 1 1 d R . .
O10 O 0.1753(6) -0.0741(5) 0.1335(5) 0.0559(16) Uani 1 1 d . . .
H10' H 0.2662 -0.0545 0.1387 0.084 Uiso 1 1 d R . .
H10" H 0.1371 -0.1367 0.1493 0.084 Uiso 1 1 d R . .
O11 O 0.4620(8) -0.0083(6) 0.1243(6) 0.078(2) Uani 1 1 d . . .
H11' H 0.3735 -0.0453 0.1217 0.117 Uiso 1 1 d R . .
H11" H 0.4783 0.0545 0.1056 0.117 Uiso 1 1 d R . .
N1 N 0.3995(7) 0.2799(5) 0.4320(5) 0.0417(15) Uani 1 1 d . . .
N2 N 0.1367(8) 0.1675(5) 0.4372(5) 0.0436(16) Uani 1 1 d . . .
N3 N 0.2723(9) 0.2071(6) 0.6481(5) 0.0506(18) Uani 1 1 d . . .
N4 N 0.5117(8) 0.3895(5) 0.6532(5) 0.0457(16) Uani 1 1 d . . .
C1 C 0.2917(9) 0.1991(6) 0.3373(6) 0.0385(17) Uani 1 1 d . . .
C2 C 0.1396(9) 0.1296(6) 0.3430(6) 0.0414(18) Uani 1 1 d . . .
C3 C 0.0012(10) 0.1445(6) 0.4532(6) 0.0451(19) Uani 1 1 d . . .
C4 C -0.1342(10) 0.1287(7) 0.3714(8) 0.056(2) Uani 1 1 d . . .
H4 H -0.1365 0.1282 0.3038 0.068 Uiso 1 1 calc R . .
C5 C -0.2658(12) 0.1137(9) 0.3908(9) 0.072(3) Uani 1 1 d . . .
H5 H -0.3548 0.1025 0.3358 0.087 Uiso 1 1 calc R . .
C6 C -0.2639(14) 0.1155(10) 0.4904(10) 0.080(3) Uani 1 1 d . . .
H6 H -0.3504 0.1079 0.5034 0.096 Uiso 1 1 calc R . .
C7 C -0.1326(12) 0.1287(8) 0.5714(9) 0.069(3) Uani 1 1 d . . .
H7 H -0.1330 0.1256 0.6377 0.083 Uiso 1 1 calc R . .
C8 C 0.0000(11) 0.1466(7) 0.5541(7) 0.053(2) Uani 1 1 d . . .
C9 C 0.1375(11) 0.1597(7) 0.6417(7) 0.053(2) Uani 1 1 d . . .
H9 H 0.1241 0.1308 0.6967 0.064 Uiso 1 1 calc R . .
C10 C 0.3979(12) 0.2057(8) 0.7389(7) 0.067(3) Uani 1 1 d . . .
H10A H 0.4524 0.1663 0.7105 0.081 Uiso 1 1 calc R . .
H10B H 0.3546 0.1596 0.7789 0.081 Uiso 1 1 calc R . .
C11 C 0.5085(13) 0.3318(10) 0.8134(8) 0.079(3) Uani 1 1 d . . .
H11B H 0.6106 0.3350 0.8405 0.095 Uiso 1 1 calc R . .
H11A H 0.4823 0.3504 0.8741 0.095 Uiso 1 1 calc R . .
C12 C 0.5069(12) 0.4258(8) 0.7578(7) 0.066(3) Uani 1 1 d . . .
H12A H 0.4153 0.4390 0.7490 0.079 Uiso 1 1 calc R . .
H12B H 0.5940 0.5014 0.8026 0.079 Uiso 1 1 calc R . .
C13 C 0.6243(10) 0.4573(7) 0.6379(7) 0.052(2) Uani 1 1 d . . .
H13 H 0.6984 0.5235 0.6967 0.063 Uiso 1 1 calc R . .
C14 C 0.6502(9) 0.4434(7) 0.5409(7) 0.0452(19) Uani 1 1 d . . .
C15 C 0.7910(10) 0.5259(7) 0.5504(7) 0.056(2) Uani 1 1 d . . .
H15 H 0.8576 0.5849 0.6163 0.067 Uiso 1 1 calc R . .
C16 C 0.8330(10) 0.5217(8) 0.4650(8) 0.059(2) Uani 1 1 d . . .
H16 H 0.9270 0.5764 0.4729 0.071 Uiso 1 1 calc R . .
C17 C 0.7336(11) 0.4354(9) 0.3685(8) 0.065(3) Uani 1 1 d . . .
H17 H 0.7608 0.4311 0.3104 0.078 Uiso 1 1 calc R . .
C18 C 0.5896(10) 0.3523(8) 0.3555(7) 0.056(2) Uani 1 1 d . . .
H18 H 0.5240 0.2942 0.2890 0.067 Uiso 1 1 calc R . .
C19 C 0.5447(9) 0.3565(6) 0.4406(6) 0.0418(18) Uani 1 1 d . . .
C20 C 0.6785(8) 0.3404(6) 0.0842(6) 0.0333(16) Uani 1 1 d . . .
C21 C 0.7745(8) 0.2820(6) 0.0927(6) 0.0347(16) Uani 1 1 d . . .
H21 H 0.7370 0.2002 0.0842 0.042 Uiso 1 1 calc R . .
C22 C 0.9284(8) 0.3464(6) 0.1142(6) 0.0330(16) Uani 1 1 d . . .
C23 C 0.9852(8) 0.4688(6) 0.1301(6) 0.0366(17) Uani 1 1 d . . .
H23 H 1.0870 0.5111 0.1434 0.044 Uiso 1 1 calc R . .
C24 C 0.8897(8) 0.5293(6) 0.1262(6) 0.0349(16) Uani 1 1 d . . .
C25 C 0.7372(8) 0.4642(6) 0.1023(6) 0.0340(16) Uani 1 1 d . . .
H25 H 0.6730 0.5037 0.0982 0.041 Uiso 1 1 calc R . .
C26 C 0.5087(9) 0.2685(7) 0.0492(6) 0.0396(18) Uani 1 1 d . . .
C27 C 1.0267(8) 0.2778(6) 0.1124(6) 0.0323(16) Uani 1 1 d . . .
C28 C 0.9545(10) 0.6625(7) 0.1425(7) 0.0447(19) 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'
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'
Ni Ni 0.3393 1.1124 '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
N4 Ni1 N2 165.8(3) . . ?
N4 Ni1 N3 91.3(3) . . ?
N2 Ni1 N3 90.7(3) . . ?
N4 Ni1 N1 95.0(3) . . ?
N2 Ni1 N1 86.7(3) . . ?
N3 Ni1 N1 164.3(3) . . ?
O10 Co1 O9 93.4(2) . 2 ?
O10 Co1 O9 91.5(2) . . ?
O9 Co1 O9 84.02(18) 2 . ?
O10 Co1 O2 94.4(2) . . ?
O9 Co1 O2 98.43(19) 2 . ?
O9 Co1 O2 173.45(17) . . ?
O10 Co1 O5 176.5(2) . 1_455 ?
O9 Co1 O5 86.5(2) 2 1_455 ?
O9 Co1 O5 92.02(19) . 1_455 ?
O2 Co1 O5 82.1(2) . 1_455 ?
O10 Co1 O1 86.9(2) . . ?
O9 Co1 O1 177.69(18) 2 . ?
O9 Co1 O1 98.27(19) . . ?
O2 Co1 O1 79.3(2) . . ?
O5 Co1 O1 93.2(2) 1_455 . ?
O8 Co2 O9 120.0(2) 2_665 . ?
O8 Co2 O3 104.5(2) 2_665 . ?
O9 Co2 O3 116.4(2) . . ?
O8 Co2 O6 102.1(2) 2_665 1_455 ?
O9 Co2 O6 107.10(19) . 1_455 ?
O3 Co2 O6 104.9(2) . 1_455 ?
C1 O1 Co1 113.3(5) . . ?
C2 O2 Co1 112.2(4) . . ?
C26 O3 Co2 117.8(5) . . ?
C27 O5 Co1 130.9(5) . 1_655 ?
C27 O6 Co2 122.2(4) . 1_655 ?
C28 O8 Co2 123.0(5) . 2_665 ?
Co2 O9 Co1 122.9(2) . 2 ?
Co2 O9 Co1 112.7(2) . . ?
Co1 O9 Co1 95.98(18) 2 . ?
Co2 O9 H9A 95.6 . . ?
Co1 O9 H9A 107.5 2 . ?
Co1 O9 H9A 124.5 . . ?
Co1 O10 H10' 119.0 . . ?
Co1 O10 H10" 122.6 . . ?
H10' O10 H10" 116.2 . . ?
H11' O11 H11" 117.3 . . ?
C1 N1 C19 121.3(6) . . ?
C1 N1 Ni1 110.8(5) . . ?
C19 N1 Ni1 127.7(5) . . ?
C2 N2 C3 123.4(7) . . ?
C2 N2 Ni1 112.2(5) . . ?
C3 N2 Ni1 124.3(5) . . ?
C9 N3 C10 118.2(8) . . ?
C9 N3 Ni1 127.0(6) . . ?
C10 N3 Ni1 114.3(6) . . ?
C13 N4 C12 117.9(7) . . ?
C13 N4 Ni1 125.1(6) . . ?
C12 N4 Ni1 116.0(6) . . ?
O1 C1 N1 130.1(7) . . ?
O1 C1 C2 116.1(7) . . ?
N1 C1 C2 113.5(7) . . ?
O2 C2 N2 128.3(7) . . ?
O2 C2 C1 118.1(6) . . ?
N2 C2 C1 113.6(7) . . ?
C8 C3 N2 120.8(8) . . ?
C8 C3 C4 117.6(8) . . ?
N2 C3 C4 121.4(7) . . ?
C5 C4 C3 120.7(9) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C6 C5 C4 120.4(10) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C7 119.8(10) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C6 C7 C8 120.4(10) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C7 C8 C3 121.0(9) . . ?
C7 C8 C9 119.0(8) . . ?
C3 C8 C9 119.9(8) . . ?
N3 C9 C8 125.1(8) . . ?
N3 C9 H9 117.4 . . ?
C8 C9 H9 117.4 . . ?
N3 C10 C11 111.7(8) . . ?
N3 C10 H10A 109.3 . . ?
C11 C10 H10A 109.3 . . ?
N3 C10 H10B 109.3 . . ?
C11 C10 H10B 109.3 . . ?
H10A C10 H10B 107.9 . . ?
C10 C11 C12 112.1(8) . . ?
C10 C11 H11B 109.2 . . ?
C12 C11 H11B 109.2 . . ?
C10 C11 H11A 109.2 . . ?
C12 C11 H11A 109.2 . . ?
H11B C11 H11A 107.9 . . ?
N4 C12 C11 112.1(8) . . ?
N4 C12 H12A 109.2 . . ?
C11 C12 H12A 109.2 . . ?
N4 C12 H12B 109.2 . . ?
C11 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
N4 C13 C14 128.0(8) . . ?
N4 C13 H13 116.0 . . ?
C14 C13 H13 116.0 . . ?
C15 C14 C19 120.0(8) . . ?
C15 C14 C13 115.4(8) . . ?
C19 C14 C13 124.6(8) . . ?
C16 C15 C14 121.9(8) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
C17 C16 C15 118.5(8) . . ?
C17 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
C16 C17 C18 121.1(9) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 H17 119.4 . . ?
C19 C18 C17 121.0(8) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C14 117.4(7) . . ?
C18 C19 N1 124.0(7) . . ?
C14 C19 N1 118.6(7) . . ?
C21 C20 C25 119.7(6) . . ?
C21 C20 C26 119.9(6) . . ?
C25 C20 C26 120.3(6) . . ?
C20 C21 C22 119.9(6) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 C22 C21 120.1(6) . . ?
C23 C22 C27 121.2(6) . . ?
C21 C22 C27 118.6(6) . . ?
C22 C23 C24 120.1(6) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C25 C24 C23 119.2(6) . . ?
C25 C24 C28 121.9(6) . . ?
C23 C24 C28 118.8(6) . . ?
C24 C25 C20 120.9(6) . . ?
C24 C25 H25 119.5 . . ?
C20 C25 H25 119.5 . . ?
O4 C26 O3 123.8(7) . . ?
O4 C26 C20 120.1(6) . . ?
O3 C26 C20 116.0(6) . . ?
O5 C27 O6 126.3(6) . . ?
O5 C27 C22 118.3(6) . . ?
O6 C27 C22 115.4(6) . . ?
O7 C28 O8 124.5(7) . . ?
O7 C28 C24 119.6(7) . . ?
O8 C28 C24 116.0(7) . . ?
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
Ni1 N4 1.878(7) . ?
Ni1 N2 1.884(7) . ?
Ni1 N3 1.892(7) . ?
Ni1 N1 1.910(6) . ?
Co1 O10 2.084(5) . ?
Co1 O9 2.086(5) 2 ?
Co1 O9 2.089(5) . ?
Co1 O2 2.091(5) . ?
Co1 O5 2.097(5) 1_455 ?
Co1 O1 2.113(5) . ?
Co2 O8 1.944(6) 2_665 ?
Co2 O9 1.946(4) . ?
Co2 O3 1.949(6) . ?
Co2 O6 1.975(5) 1_455 ?
O1 C1 1.247(9) . ?
O2 C2 1.253(9) . ?
O3 C26 1.266(8) . ?
O4 C26 1.237(9) . ?
O5 C27 1.242(8) . ?
O5 Co1 2.097(5) 1_655 ?
O6 C27 1.272(8) . ?
O6 Co2 1.975(5) 1_655 ?
O7 C28 1.238(10) . ?
O8 C28 1.292(9) . ?
O8 Co2 1.944(6) 2_665 ?
O9 Co1 2.086(5) 2 ?
O9 H9A 0.8499 . ?
O10 H10' 0.8488 . ?
O10 H10" 0.8506 . ?
O11 H11' 0.8500 . ?
O11 H11" 0.8500 . ?
N1 C1 1.347(10) . ?
N1 C19 1.421(10) . ?
N2 C2 1.316(9) . ?
N2 C3 1.407(10) . ?
N3 C9 1.267(10) . ?
N3 C10 1.494(11) . ?
N4 C13 1.285(10) . ?
N4 C12 1.457(10) . ?
C1 C2 1.537(11) . ?
C3 C8 1.401(11) . ?
C3 C4 1.408(12) . ?
C4 C5 1.404(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.374(15) . ?
C5 H5 0.9300 . ?
C6 C7 1.385(15) . ?
C6 H6 0.9300 . ?
C7 C8 1.395(12) . ?
C7 H7 0.9300 . ?
C8 C9 1.473(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.513(13) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.520(14) . ?
C11 H11B 0.9700 . ?
C11 H11A 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.441(12) . ?
C13 H13 0.9300 . ?
C14 C15 1.407(11) . ?
C14 C19 1.411(11) . ?
C15 C16 1.377(12) . ?
C15 H15 0.9300 . ?
C16 C17 1.365(13) . ?
C16 H16 0.9300 . ?
C17 C18 1.417(12) . ?
C17 H17 0.9300 . ?
C18 C19 1.391(11) . ?
C18 H18 0.9300 . ?
C20 C21 1.383(9) . ?
C20 C25 1.394(9) . ?
C20 C26 1.519(10) . ?
C21 C22 1.402(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.383(9) . ?
C22 C27 1.513(9) . ?
C23 C24 1.404(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.384(10) . ?
C24 C28 1.508(10) . ?
C25 H25 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
_geom_torsion_publ_flag
O10 Co1 O1 C1 -98.5(5) . . . . ?
O9 Co1 O1 C1 -3(5) 2 . . . ?
O9 Co1 O1 C1 170.5(5) . . . . ?
O2 Co1 O1 C1 -3.4(5) . . . . ?
O5 Co1 O1 C1 78.0(5) 1_455 . . . ?
O10 Co1 O2 C2 94.4(5) . . . . ?
O9 Co1 O2 C2 -171.6(5) 2 . . . ?
O9 Co1 O2 C2 -60.0(19) . . . . ?
O5 Co1 O2 C2 -86.4(5) 1_455 . . . ?
O1 Co1 O2 C2 8.4(5) . . . . ?
O8 Co2 O3 C26 -105.4(6) 2_665 . . . ?
O9 Co2 O3 C26 29.4(6) . . . . ?
O6 Co2 O3 C26 147.6(5) 1_455 . . . ?
O8 Co2 O9 Co1 -24.2(3) 2_665 . . 2 ?
O3 Co2 O9 Co1 -151.7(3) . . . 2 ?
O6 Co2 O9 Co1 91.3(3) 1_455 . . 2 ?
O8 Co2 O9 Co1 -138.1(2) 2_665 . . . ?
O3 Co2 O9 Co1 94.4(3) . . . . ?
O6 Co2 O9 Co1 -22.6(3) 1_455 . . . ?
O10 Co1 O9 Co2 -137.3(3) . . . . ?
O9 Co1 O9 Co2 129.5(3) 2 . . . ?
O2 Co1 O9 Co2 17.2(18) . . . . ?
O5 Co1 O9 Co2 43.3(3) 1_455 . . . ?
O1 Co1 O9 Co2 -50.2(3) . . . . ?
O10 Co1 O9 Co1 93.2(2) . . . 2 ?
O9 Co1 O9 Co1 0.0 2 . . 2 ?
O2 Co1 O9 Co1 -112.3(17) . . . 2 ?
O5 Co1 O9 Co1 -86.2(2) 1_455 . . 2 ?
O1 Co1 O9 Co1 -179.72(18) . . . 2 ?
N4 Ni1 N1 C1 -179.5(5) . . . . ?
N2 Ni1 N1 C1 -13.6(5) . . . . ?
N3 Ni1 N1 C1 67.2(13) . . . . ?
N4 Ni1 N1 C19 5.9(6) . . . . ?
N2 Ni1 N1 C19 171.8(6) . . . . ?
N3 Ni1 N1 C19 -107.4(11) . . . . ?
N4 Ni1 N2 C2 114.3(11) . . . . ?
N3 Ni1 N2 C2 -147.7(5) . . . . ?
N1 Ni1 N2 C2 16.8(5) . . . . ?
N4 Ni1 N2 C3 -62.0(14) . . . . ?
N3 Ni1 N2 C3 36.0(6) . . . . ?
N1 Ni1 N2 C3 -159.5(6) . . . . ?
N4 Ni1 N3 C9 145.3(7) . . . . ?
N2 Ni1 N3 C9 -20.7(7) . . . . ?
N1 Ni1 N3 C9 -100.9(12) . . . . ?
N4 Ni1 N3 C10 -42.8(6) . . . . ?
N2 Ni1 N3 C10 151.3(6) . . . . ?
N1 Ni1 N3 C10 71.0(13) . . . . ?
N2 Ni1 N4 C13 -93.5(13) . . . . ?
N3 Ni1 N4 C13 168.6(7) . . . . ?
N1 Ni1 N4 C13 3.0(7) . . . . ?
N2 Ni1 N4 C12 74.4(13) . . . . ?
N3 Ni1 N4 C12 -23.5(6) . . . . ?
N1 Ni1 N4 C12 170.8(6) . . . . ?
Co1 O1 C1 N1 -174.4(6) . . . . ?
Co1 O1 C1 C2 -1.4(7) . . . . ?
C19 N1 C1 O1 -3.7(12) . . . . ?
Ni1 N1 C1 O1 -178.7(6) . . . . ?
C19 N1 C1 C2 -176.8(6) . . . . ?
Ni1 N1 C1 C2 8.1(7) . . . . ?
Co1 O2 C2 N2 166.4(7) . . . . ?
Co1 O2 C2 C1 -11.8(8) . . . . ?
C3 N2 C2 O2 -17.8(12) . . . . ?
Ni1 N2 C2 O2 165.9(7) . . . . ?
C3 N2 C2 C1 160.4(7) . . . . ?
Ni1 N2 C2 C1 -15.9(8) . . . . ?
O1 C1 C2 O2 9.3(10) . . . . ?
N1 C1 C2 O2 -176.5(6) . . . . ?
O1 C1 C2 N2 -169.1(6) . . . . ?
N1 C1 C2 N2 5.1(9) . . . . ?
C2 N2 C3 C8 156.7(7) . . . . ?
Ni1 N2 C3 C8 -27.5(10) . . . . ?
C2 N2 C3 C4 -28.7(11) . . . . ?
Ni1 N2 C3 C4 147.2(6) . . . . ?
C8 C3 C4 C5 -1.0(12) . . . . ?
N2 C3 C4 C5 -175.8(8) . . . . ?
C3 C4 C5 C6 0.7(14) . . . . ?
C4 C5 C6 C7 -1.9(16) . . . . ?
C5 C6 C7 C8 3.4(16) . . . . ?
C6 C7 C8 C3 -3.8(14) . . . . ?
C6 C7 C8 C9 -179.7(9) . . . . ?
N2 C3 C8 C7 177.4(8) . . . . ?
C4 C3 C8 C7 2.5(12) . . . . ?
N2 C3 C8 C9 -6.8(11) . . . . ?
C4 C3 C8 C9 178.4(7) . . . . ?
C10 N3 C9 C8 -176.0(8) . . . . ?
Ni1 N3 C9 C8 -4.4(12) . . . . ?
C7 C8 C9 N3 -160.1(8) . . . . ?
C3 C8 C9 N3 23.9(12) . . . . ?
C9 N3 C10 C11 -115.7(9) . . . . ?
Ni1 N3 C10 C11 71.6(9) . . . . ?
N3 C10 C11 C12 -23.9(12) . . . . ?
C13 N4 C12 C11 -119.9(9) . . . . ?
Ni1 N4 C12 C11 71.3(10) . . . . ?
C10 C11 C12 N4 -46.1(12) . . . . ?
C12 N4 C13 C14 -176.9(8) . . . . ?
Ni1 N4 C13 C14 -9.3(12) . . . . ?
N4 C13 C14 C15 -174.5(8) . . . . ?
N4 C13 C14 C19 6.6(14) . . . . ?
C19 C14 C15 C16 -2.7(13) . . . . ?
C13 C14 C15 C16 178.4(8) . . . . ?
C14 C15 C16 C17 0.7(14) . . . . ?
C15 C16 C17 C18 0.6(14) . . . . ?
C16 C17 C18 C19 0.2(14) . . . . ?
C17 C18 C19 C14 -2.2(12) . . . . ?
C17 C18 C19 N1 176.9(8) . . . . ?
C15 C14 C19 C18 3.4(11) . . . . ?
C13 C14 C19 C18 -177.8(8) . . . . ?
C15 C14 C19 N1 -175.7(7) . . . . ?
C13 C14 C19 N1 3.0(11) . . . . ?
C1 N1 C19 C18 -2.2(11) . . . . ?
Ni1 N1 C19 C18 171.9(6) . . . . ?
C1 N1 C19 C14 176.9(7) . . . . ?
Ni1 N1 C19 C14 -9.0(10) . . . . ?
C25 C20 C21 C22 -3.2(10) . . . . ?
C26 C20 C21 C22 173.4(7) . . . . ?
C20 C21 C22 C23 2.0(10) . . . . ?
C20 C21 C22 C27 -174.2(6) . . . . ?
C21 C22 C23 C24 0.8(10) . . . . ?
C27 C22 C23 C24 176.9(6) . . . . ?
C22 C23 C24 C25 -2.4(10) . . . . ?
C22 C23 C24 C28 -179.2(7) . . . . ?
C23 C24 C25 C20 1.2(10) . . . . ?
C28 C24 C25 C20 177.9(7) . . . . ?
C21 C20 C25 C24 1.6(10) . . . . ?
C26 C20 C25 C24 -175.0(7) . . . . ?
Co2 O3 C26 O4 -6.4(10) . . . . ?
Co2 O3 C26 C20 172.2(5) . . . . ?
C21 C20 C26 O4 -13.0(11) . . . . ?
C25 C20 C26 O4 163.6(7) . . . . ?
C21 C20 C26 O3 168.4(7) . . . . ?
C25 C20 C26 O3 -15.1(10) . . . . ?
Co1 O5 C27 O6 2.7(11) 1_655 . . . ?
Co1 O5 C27 C22 -179.7(4) 1_655 . . . ?
Co2 O6 C27 O5 40.9(10) 1_655 . . . ?
Co2 O6 C27 C22 -136.8(5) 1_655 . . . ?
C23 C22 C27 O5 164.4(7) . . . . ?
C21 C22 C27 O5 -19.5(10) . . . . ?
C23 C22 C27 O6 -17.8(10) . . . . ?
C21 C22 C27 O6 158.4(7) . . . . ?
Co2 O8 C28 O7 74.7(10) 2_665 . . . ?
Co2 O8 C28 C24 -105.1(6) 2_665 . . . ?
C25 C24 C28 O7 176.3(8) . . . . ?
C23 C24 C28 O7 -7.0(11) . . . . ?
C25 C24 C28 O8 -4.0(11) . . . . ?
C23 C24 C28 O8 172.8(6) . . . . ?
