#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:04:06 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179554 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/23/4502347.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_4502347
loop_
_publ_author_name
'Huang, Fu-Ping'
'Tian, Jin-Lei'
'Gu, Wen'
'Liu, Xin'
'Yan, Shi-Ping'
'Liao, Dai-Zheng'
'Cheng, Peng'
_publ_section_title
;
 Co(II) Coordination Polymers: Positional Isomeric Effect, Structural and
 Magnetic Diversification
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1145
_journal_paper_doi               10.1021/cg901014r
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C28 H23 Co2 N7 O16'
_chemical_formula_weight         831.39
_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                112.95(3)
_cell_angle_beta                 90.96(3)
_cell_angle_gamma                102.69(3)
_cell_formula_units_Z            2
_cell_length_a                   11.269(2)
_cell_length_b                   11.987(2)
_cell_length_c                   12.723(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.50
_cell_volume                     1533.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0652
_diffrn_reflns_av_sigmaI/netI    0.0801
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13233
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    1.175
_exptl_absorpt_correction_T_max  0.868
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             931
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         5669
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0983
_refine_ls_R_factor_gt           0.0656
_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)+(0.0419P)²+0.7290P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1175
_refine_ls_wR_factor_ref         0.1289
_reflns_number_gt                4252
_reflns_number_total             5669
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg901014r_si_007.cif
_cod_data_source_block           aa
_cod_original_cell_volume        1533.8(5)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4502347
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
O3 O 0.5232(3) -0.0466(3) 0.2138(3) 0.0397(9) Uani 1 1 d .
C8 C 0.4965(4) 0.0549(4) 0.2701(4) 0.0280(11) Uani 1 1 d .
C4 C 0.5541(4) 0.1227(4) 0.3938(4) 0.0266(10) Uani 1 1 d .
N7 N 0.5794(3) 0.7124(3) 1.0906(3) 0.0287(9) Uani 1 1 d .
C28 C 0.6204(4) 0.7285(4) 1.1951(4) 0.0331(12) Uani 1 1 d .
H28 H 0.5891 0.7806 1.2576 0.040 Uiso 1 1 calc R
C26 C 0.6224(5) 0.6343(4) 1.0020(4) 0.0353(12) Uani 1 1 d .
H26 H 0.5923 0.6194 0.9280 0.042 Uiso 1 1 calc R
Co2 Co 1.46530(6) -0.18511(5) 1.05438(5) 0.02680(19) Uani 1 1 d .
Co1 Co 0.93090(6) 0.01205(6) 0.69135(5) 0.02843(19) Uani 1 1 d .
O7 O 1.3996(3) -0.3167(3) 0.8865(2) 0.0323(8) Uani 1 1 d .
O15 O 1.0565(3) 0.1183(3) 0.6297(3) 0.0338(8) Uani 1 1 d .
H15A H 1.1076 0.0799 0.6004 0.051 Uiso 1 1 calc R
O13 O 1.6001(3) -0.0968(3) 0.9856(3) 0.0353(9) Uani 1 1 d .
H13A H 1.5735 -0.1057 0.9217 0.053 Uiso 1 1 calc R
O14 O 1.3171(3) -0.2604(3) 1.1207(3) 0.0329(8) Uani 1 1 d .
H14A H 1.2957 -0.2039 1.1718 0.049 Uiso 1 1 calc R
C2 C 0.6837(4) 0.1311(4) 0.5510(3) 0.0233(10) Uani 1 1 d .
O2 O 0.8059(3) 0.1259(3) 0.7038(2) 0.0351(8) Uani 1 1 d .
O16 O 0.8014(3) -0.1156(3) 0.7272(3) 0.0378(9) Uani 1 1 d .
H16A H 0.7350 -0.0979 0.7282 0.057 Uiso 1 1 calc R
O9 O 1.0424(3) -0.1113(3) 0.6596(3) 0.0352(8) Uani 1 1 d .
N3 N 1.0089(3) 0.1214(3) 0.8654(3) 0.0283(9) Uani 1 1 d .
O1 O 0.7974(3) -0.0209(3) 0.5325(3) 0.0367(8) Uani 1 1 d .
O11 O 1.1737(3) -0.6213(3) 0.3797(3) 0.0506(10) Uani 1 1 d .
N2 N 1.2169(4) -0.5872(3) 0.4790(3) 0.0341(10) Uani 1 1 d .
O8 O 1.3236(3) -0.1518(3) 0.9425(2) 0.0361(8) Uani 1 1 d .
C15 C 1.1927(4) -0.2371(4) 0.7203(4) 0.0283(11) Uani 1 1 d .
H15 H 1.1852 -0.1611 0.7753 0.034 Uiso 1 1 calc R
O4 O 0.4296(3) 0.1043(3) 0.2327(2) 0.0378(8) Uani 1 1 d .
O10 O 1.0122(3) -0.2477(3) 0.4757(3) 0.0376(8) Uani 1 1 d .
C13 C 1.2732(4) -0.4180(4) 0.6686(4) 0.0262(10) Uani 1 1 d .
H13 H 1.3214 -0.4636 0.6864 0.031 Uiso 1 1 calc R
C16 C 1.3335(4) -0.2534(4) 0.8669(4) 0.0260(10) Uani 1 1 d .
N5 N 0.9321(4) 0.5697(4) 1.2272(4) 0.0336(11) Uani 1 1 d .
N1 N 0.5825(4) 0.4254(4) 0.6434(3) 0.0404(11) Uani 1 1 d .
N6 N 0.8672(3) 0.4303(3) 1.0547(3) 0.0263(9) Uani 1 1 d .
C7 C 0.6682(4) 0.2483(4) 0.6187(3) 0.0282(11) Uani 1 1 d .
H7 H 0.7064 0.2917 0.6936 0.034 Uiso 1 1 calc R
C6 C 0.5944(4) 0.2986(4) 0.5717(4) 0.0267(10) Uani 1 1 d .
C3 C 0.6282(4) 0.0700(4) 0.4398(4) 0.0256(10) Uani 1 1 d .
H3 H 0.6403 -0.0081 0.3944 0.031 Uiso 1 1 calc R
C12 C 1.2092(4) -0.4632(4) 0.5616(3) 0.0241(10) Uani 1 1 d .
C24 C 0.7548(4) 0.5952(4) 1.1243(4) 0.0258(10) Uani 1 1 d .
C14 C 1.2646(4) -0.3031(4) 0.7497(3) 0.0243(10) Uani 1 1 d .
C22 C 0.9624(4) 0.4068(4) 1.1027(4) 0.0259(10) Uani 1 1 d .
C23 C 0.8502(4) 0.5343(4) 1.1357(4) 0.0259(10) Uani 1 1 d .
C19 C 1.0849(4) 0.2548(4) 1.0986(4) 0.0372(13) Uani 1 1 d .
H19 H 1.1090 0.2980 1.1770 0.045 Uiso 1 1 calc R
O12 O 1.2643(3) -0.6509(3) 0.5124(3) 0.0488(10) Uani 1 1 d .
O5 O 0.5355(4) 0.4795(3) 0.5980(3) 0.0657(12) Uani 1 1 d .
C1 C 0.7673(4) 0.0745(4) 0.5979(4) 0.0276(11) Uani 1 1 d .
C10 C 1.1314(4) -0.2822(4) 0.6103(4) 0.0257(10) Uani 1 1 d .
C9 C 1.0553(4) -0.2085(4) 0.5785(4) 0.0287(11) Uani 1 1 d .
C20 C 1.0094(4) 0.2954(4) 1.0432(4) 0.0260(10) Uani 1 1 d .
C21 C 0.9738(4) 0.2245(4) 0.9269(4) 0.0274(11) Uani 1 1 d .
H21 H 0.9217 0.2509 0.8893 0.033 Uiso 1 1 calc R
N4 N 1.0052(4) 0.4896(3) 1.2084(3) 0.0345(10) Uani 1 1 d .
C27 C 0.7070(4) 0.6718(4) 1.2159(4) 0.0307(11) Uani 1 1 d .
H27 H 0.7326 0.6853 1.2906 0.037 Uiso 1 1 calc R
C5 C 0.5376(4) 0.2385(4) 0.4609(4) 0.0289(11) Uani 1 1 d .
H5 H 0.4889 0.2757 0.4319 0.035 Uiso 1 1 calc R
C11 C 1.1404(4) -0.3973(4) 0.5293(4) 0.0278(11) Uani 1 1 d .
H11 H 1.1010 -0.4292 0.4551 0.033 Uiso 1 1 calc R
C25 C 0.7087(4) 0.5752(4) 1.0149(4) 0.0336(12) Uani 1 1 d .
H25 H 0.7364 0.5217 0.9506 0.040 Uiso 1 1 calc R
C18 C 1.1245(5) 0.1495(5) 1.0366(4) 0.0497(15) Uani 1 1 d .
H18 H 1.1781 0.1223 1.0720 0.060 Uiso 1 1 calc R
O6 O 0.6237(5) 0.4712(4) 0.7437(3) 0.0833(16) Uani 1 1 d .
C17 C 1.0833(5) 0.0849(5) 0.9211(4) 0.0399(13) Uani 1 1 d .
H17 H 1.1085 0.0126 0.8803 0.048 Uiso 1 1 calc R
H14B H 1.266(5) -0.304(5) 1.075(5) 0.06(2) Uiso 1 1 d .
H13B H 1.629(5) -0.027(4) 1.018(4) 0.039(17) Uiso 1 1 d .
H15B H 1.028(5) 0.147(5) 0.590(5) 0.07(2) Uiso 1 1 d .
H16B H 0.801(6) -0.181(5) 0.697(5) 0.07(2) Uiso 1 1 d .
H5A H 0.946(5) 0.624(5) 1.287(5) 0.06(2) Uiso 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'
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
C8 O3 Co2 134.4(3) . 1_454 ?
O4 C8 O3 125.9(4) . . ?
O4 C8 C4 118.3(4) . . ?
O3 C8 C4 115.8(4) . . ?
C5 C4 C3 119.1(4) . . ?
C5 C4 C8 120.6(4) . . ?
C3 C4 C8 120.3(4) . . ?
C28 N7 C26 117.4(4) . . ?
C28 N7 Co2 124.9(3) . 1_465 ?
C26 N7 Co2 117.4(3) . 1_465 ?
N7 C28 C27 123.4(4) . . ?
N7 C28 H28 118.3 . . ?
C27 C28 H28 118.3 . . ?
N7 C26 C25 123.0(4) . . ?
N7 C26 H26 118.5 . . ?
C25 C26 H26 118.5 . . ?
O3 Co2 O13 90.61(15) 1_656 . y
O3 Co2 O14 88.97(14) 1_656 . y
O13 Co2 O14 173.11(14) . . y
O3 Co2 O7 175.03(12) 1_656 . y
O13 Co2 O7 87.88(14) . . y
O14 Co2 O7 91.96(14) . . y
O3 Co2 N7 89.11(13) 1_656 1_645 y
O13 Co2 N7 93.14(14) . 1_645 y
O14 Co2 N7 93.73(14) . 1_645 y
O7 Co2 N7 95.70(13) . 1_645 y
O3 Co2 O8 115.95(12) 1_656 . y
O13 Co2 O8 87.40(13) . . y
O14 Co2 O8 86.60(13) . . y
O7 Co2 O8 59.25(11) . . y
N7 Co2 O8 154.93(12) 1_645 . y
O15 Co1 O16 171.01(14) . . y
O15 Co1 O9 88.74(13) . . y
O16 Co1 O9 87.37(14) . . y
O15 Co1 O2 91.21(13) . . y
O16 Co1 O2 91.69(14) . . y
O9 Co1 O2 173.21(12) . . y
O15 Co1 N3 92.83(14) . . y
O16 Co1 N3 95.56(15) . . y
O9 Co1 N3 94.69(13) . . y
O2 Co1 N3 92.09(13) . . y
O15 Co1 O1 85.17(13) . . y
O16 Co1 O1 89.15(13) . . y
O9 Co1 O1 115.08(12) . . y
O2 Co1 O1 58.16(11) . . y
N3 Co1 O1 150.07(12) . . y
C16 O7 Co2 94.4(3) . . ?
Co1 O15 H15A 109.5 . . ?
Co1 O15 H15B 116(4) . . ?
H15A O15 H15B 114.0 . . ?
Co2 O13 H13A 109.5 . . ?
Co2 O13 H13B 120(4) . . ?
H13A O13 H13B 105.4 . . ?
Co2 O14 H14A 109.5 . . ?
Co2 O14 H14B 112(4) . . ?
H14A O14 H14B 113.1 . . ?
C3 C2 C7 119.9(4) . . ?
C3 C2 C1 120.5(4) . . ?
C7 C2 C1 119.5(4) . . ?
C1 O2 Co1 94.8(3) . . ?
Co1 O16 H16A 109.5 . . ?
Co1 O16 H16B 117(5) . . ?
H16A O16 H16B 116.3 . . ?
C9 O9 Co1 137.8(3) . . ?
C21 N3 C17 116.7(4) . . ?
C21 N3 Co1 119.9(3) . . ?
C17 N3 Co1 123.0(3) . . ?
C1 O1 Co1 85.4(3) . . ?
O12 N2 O11 123.3(4) . . ?
O12 N2 C12 119.0(4) . . ?
O11 N2 C12 117.7(4) . . ?
C16 O8 Co2 84.4(3) . . ?
C14 C15 C10 121.5(4) . . ?
C14 C15 H15 119.3 . . ?
C10 C15 H15 119.3 . . ?
C12 C13 C14 118.7(4) . . ?
C12 C13 H13 120.7 . . ?
C14 C13 H13 120.7 . . ?
O8 C16 O7 121.8(4) . . ?
O8 C16 C14 120.0(4) . . ?
O7 C16 C14 118.2(4) . . ?
C23 N5 N4 111.2(4) . . ?
C23 N5 H5A 134(4) . . ?
N4 N5 H5A 115(4) . . ?
O5 N1 O6 123.6(4) . . ?
O5 N1 C6 118.2(4) . . ?
O6 N1 C6 118.1(4) . . ?
C23 N6 C22 103.9(3) . . ?
C6 C7 C2 117.9(4) . . ?
C6 C7 H7 121.1 . . ?
C2 C7 H7 121.1 . . ?
C5 C6 C7 123.0(4) . . ?
C5 C6 N1 119.7(4) . . ?
C7 C6 N1 117.2(4) . . ?
C2 C3 C4 121.3(4) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C13 C12 C11 123.0(4) . . ?
C13 C12 N2 117.3(4) . . ?
C11 C12 N2 119.7(4) . . ?
C27 C24 C25 117.4(4) . . ?
C27 C24 C23 124.0(4) . . ?
C25 C24 C23 118.6(4) . . ?
C15 C14 C13 119.2(4) . . ?
C15 C14 C16 121.7(4) . . ?
C13 C14 C16 119.0(4) . . ?
N4 C22 N6 114.2(4) . . ?
N4 C22 C20 123.4(4) . . ?
N6 C22 C20 122.4(4) . . ?
N6 C23 N5 108.6(4) . . ?
N6 C23 C24 124.1(4) . . ?
N5 C23 C24 127.3(4) . . ?
C20 C19 C18 119.3(4) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
O1 C1 O2 121.1(4) . . ?
O1 C1 C2 120.0(4) . . ?
O2 C1 C2 118.8(4) . . ?
C11 C10 C15 119.1(4) . . ?
C11 C10 C9 119.9(4) . . ?
C15 C10 C9 121.1(4) . . ?
O10 C9 O9 126.2(4) . . ?
O10 C9 C10 118.1(4) . . ?
O9 C9 C10 115.7(4) . . ?
C19 C20 C21 117.4(4) . . ?
C19 C20 C22 123.0(4) . . ?
C21 C20 C22 119.6(4) . . ?
N3 C21 C20 124.6(4) . . ?
N3 C21 H21 117.7 . . ?
C20 C21 H21 117.7 . . ?
C22 N4 N5 102.1(4) . . ?
C28 C27 C24 119.0(4) . . ?
C28 C27 H27 120.5 . . ?
C24 C27 H27 120.5 . . ?
C6 C5 C4 118.8(4) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C12 C11 C10 118.4(4) . . ?
C12 C11 H11 120.8 . . ?
C10 C11 H11 120.8 . . ?
C26 C25 C24 119.7(4) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C19 C18 C17 118.9(5) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
N3 C17 C18 123.1(4) . . ?
N3 C17 H17 118.4 . . ?
C18 C17 H17 118.4 . . ?
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
O3 C8 1.254(5) . ?
O3 Co2 2.037(3) 1_454 ?
C8 O4 1.245(5) . ?
C8 C4 1.515(6) . ?
C4 C5 1.373(6) . ?
C4 C3 1.393(6) . ?
N7 C28 1.326(5) . ?
N7 C26 1.333(5) . ?
N7 Co2 2.119(4) 1_465 ?
C28 C27 1.381(6) . ?
C28 H28 0.9300 . ?
C26 C25 1.365(6) . ?
C26 H26 0.9300 . ?
Co2 O3 2.037(3) 1_656 y
Co2 O13 2.062(4) . y
Co2 O14 2.072(3) . y
Co2 O7 2.099(3) . y
Co2 N7 2.119(4) 1_645 y
Co2 O8 2.320(3) . y
Co1 O15 2.065(3) . y
Co1 O16 2.065(4) . y
Co1 O9 2.072(3) . y
Co1 O2 2.135(3) . y
Co1 N3 2.135(4) . y
Co1 O1 2.350(3) . y
O7 C16 1.257(5) . ?
O15 H15A 0.8200 . ?
O15 H15B 0.81(5) . ?
O13 H13A 0.8200 . ?
O13 H13B 0.77(5) . ?
O14 H14A 0.8200 . ?
O14 H14B 0.75(5) . ?
C2 C3 1.375(5) . ?
C2 C7 1.383(6) . ?
C2 C1 1.511(6) . ?
O2 C1 1.265(5) . ?
O16 H16A 0.8200 . ?
O16 H16B 0.72(5) . ?
O9 C9 1.259(5) . ?
N3 C21 1.329(5) . ?
N3 C17 1.334(5) . ?
O1 C1 1.247(5) . ?
O11 N2 1.221(4) . ?
N2 O12 1.213(4) . ?
N2 C12 1.471(5) . ?
O8 C16 1.252(5) . ?
C15 C14 1.387(6) . ?
C15 C10 1.394(6) . ?
C15 H15 0.9300 . ?
O10 C9 1.252(5) . ?
C13 C12 1.374(6) . ?
C13 C14 1.388(6) . ?
C13 H13 0.9300 . ?
C16 C14 1.499(6) . ?
N5 C23 1.339(6) . ?
N5 N4 1.353(5) . ?
N5 H5A 0.77(5) . ?
N1 O5 1.210(5) . ?
N1 O6 1.212(5) . ?
N1 C6 1.474(5) . ?
N6 C23 1.328(5) . ?
N6 C22 1.359(5) . ?
C7 C6 1.378(6) . ?
C7 H7 0.9300 . ?
C6 C5 1.375(6) . ?
C3 H3 0.9300 . ?
C12 C11 1.381(6) . ?
C24 C27 1.377(6) . ?
C24 C25 1.388(6) . ?
C24 C23 1.460(6) . ?
C22 N4 1.324(5) . ?
C22 C20 1.474(6) . ?
C19 C20 1.373(6) . ?
C19 C18 1.377(6) . ?
C19 H19 0.9300 . ?
C10 C11 1.390(6) . ?
C10 C9 1.511(6) . ?
C20 C21 1.387(6) . ?
C21 H21 0.9300 . ?
C27 H27 0.9300 . ?
C5 H5 0.9300 . ?
C11 H11 0.9300 . ?
C25 H25 0.9300 . ?
C18 C17 1.381(6) . ?
C18 H18 0.9300 . ?
C17 H17 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
Co2 O3 C8 O4 -8.1(8) 1_454
Co2 O3 C8 C4 173.2(3) 1_454
O4 C8 C4 C5 -3.1(7) .
O3 C8 C4 C5 175.6(4) .
O4 C8 C4 C3 179.1(4) .
O3 C8 C4 C3 -2.2(6) .
C26 N7 C28 C27 2.1(7) .
Co2 N7 C28 C27 -171.3(4) 1_465
C28 N7 C26 C25 -2.5(7) .
Co2 N7 C26 C25 171.5(4) 1_465
O3 Co2 O7 C16 -14.1(17) 1_656
O13 Co2 O7 C16 -86.5(3) .
O14 Co2 O7 C16 86.6(3) .
N7 Co2 O7 C16 -179.4(3) 1_645
O8 Co2 O7 C16 1.8(3) .
O15 Co1 O2 C1 79.3(3) .
O16 Co1 O2 C1 -92.2(3) .
O9 Co1 O2 C1 -10.2(12) .
N3 Co1 O2 C1 172.2(3) .
O1 Co1 O2 C1 -4.2(3) .
O15 Co1 O9 C9 -90.2(5) .
O16 Co1 O9 C9 81.7(5) .
O2 Co1 O9 C9 -0.5(14) .
N3 Co1 O9 C9 177.1(5) .
O1 Co1 O9 C9 -6.1(5) .
O15 Co1 N3 C21 86.1(4) .
O16 Co1 N3 C21 -97.1(4) .
O9 Co1 N3 C21 175.1(3) .
O2 Co1 N3 C21 -5.2(4) .
O1 Co1 N3 C21 0.9(5) .
O15 Co1 N3 C17 -101.0(4) .
O16 Co1 N3 C17 75.7(4) .
O9 Co1 N3 C17 -12.1(4) .
O2 Co1 N3 C17 167.6(4) .
O1 Co1 N3 C17 173.7(3) .
O15 Co1 O1 C1 -90.2(3) .
O16 Co1 O1 C1 96.8(3) .
O9 Co1 O1 C1 -176.5(3) .
O2 Co1 O1 C1 4.3(3) .
N3 Co1 O1 C1 -2.9(4) .
O3 Co2 O8 C16 176.7(3) 1_656
O13 Co2 O8 C16 87.3(3) .
O14 Co2 O8 C16 -96.1(3) .
O7 Co2 O8 C16 -1.8(3) .
N7 Co2 O8 C16 -4.5(5) 1_645
Co2 O8 C16 O7 3.0(4) .
Co2 O8 C16 C14 -177.5(4) .
Co2 O7 C16 O8 -3.3(5) .
Co2 O7 C16 C14 177.2(3) .
C3 C2 C7 C6 1.3(7) .
C1 C2 C7 C6 177.9(4) .
C2 C7 C6 C5 -0.9(7) .
C2 C7 C6 N1 -177.8(4) .
O5 N1 C6 C5 -9.0(7) .
O6 N1 C6 C5 173.1(5) .
O5 N1 C6 C7 167.9(4) .
O6 N1 C6 C7 -10.0(7) .
C7 C2 C3 C4 -1.2(7) .
C1 C2 C3 C4 -177.8(4) .
C5 C4 C3 C2 0.7(7) .
C8 C4 C3 C2 178.5(4) .
C14 C13 C12 C11 2.7(7) .
C14 C13 C12 N2 -177.9(4) .
O12 N2 C12 C13 9.9(6) .
O11 N2 C12 C13 -170.8(4) .
O12 N2 C12 C11 -170.7(4) .
O11 N2 C12 C11 8.6(6) .
C10 C15 C14 C13 -1.7(7) .
C10 C15 C14 C16 178.3(4) .
C12 C13 C14 C15 -0.4(7) .
C12 C13 C14 C16 179.6(4) .
O8 C16 C14 C15 2.5(7) .
O7 C16 C14 C15 -178.1(4) .
O8 C16 C14 C13 -177.6(4) .
O7 C16 C14 C13 1.9(6) .
C23 N6 C22 N4 0.2(5) .
C23 N6 C22 C20 177.6(4) .
C22 N6 C23 N5 -0.1(5) .
C22 N6 C23 C24 -178.8(4) .
N4 N5 C23 N6 0.0(6) .
N4 N5 C23 C24 178.6(4) .
C27 C24 C23 N6 155.3(4) .
C25 C24 C23 N6 -24.6(7) .
C27 C24 C23 N5 -23.1(8) .
C25 C24 C23 N5 157.0(5) .
Co1 O1 C1 O2 -7.2(4) .
Co1 O1 C1 C2 172.6(4) .
Co1 O2 C1 O1 7.9(5) .
Co1 O2 C1 C2 -171.9(3) .
C3 C2 C1 O1 8.1(7) .
C7 C2 C1 O1 -168.5(4) .
C3 C2 C1 O2 -172.1(4) .
C7 C2 C1 O2 11.3(7) .
C14 C15 C10 C11 1.6(7) .
C14 C15 C10 C9 -178.8(4) .
Co1 O9 C9 O10 15.7(8) .
Co1 O9 C9 C10 -165.0(3) .
C11 C10 C9 O10 -7.2(7) .
C15 C10 C9 O10 173.2(4) .
C11 C10 C9 O9 173.4(4) .
C15 C10 C9 O9 -6.2(6) .
C18 C19 C20 C21 2.0(7) .
C18 C19 C20 C22 179.8(5) .
N4 C22 C20 C19 12.6(7) .
N6 C22 C20 C19 -164.5(4) .
N4 C22 C20 C21 -169.7(4) .
N6 C22 C20 C21 13.2(7) .
C17 N3 C21 C20 0.2(7) .
Co1 N3 C21 C20 173.5(3) .
C19 C20 C21 N3 -0.9(7) .
C22 C20 C21 N3 -178.8(4) .
N6 C22 N4 N5 -0.1(5) .
C20 C22 N4 N5 -177.5(4) .
C23 N5 N4 C22 0.1(5) .
N7 C28 C27 C24 0.5(7) .
C25 C24 C27 C28 -2.6(7) .
C23 C24 C27 C28 177.5(4) .
C7 C6 C5 C4 0.4(7) .
N1 C6 C5 C4 177.2(4) .
C3 C4 C5 C6 -0.3(7) .
C8 C4 C5 C6 -178.1(4) .
C13 C12 C11 C10 -2.7(7) .
N2 C12 C11 C10 177.9(4) .
C15 C10 C11 C12 0.5(7) .
C9 C10 C11 C12 -179.0(4) .
N7 C26 C25 C24 0.3(8) .
C27 C24 C25 C26 2.3(7) .
C23 C24 C25 C26 -177.8(4) .
C20 C19 C18 C17 -2.4(8) .
C21 N3 C17 C18 -0.6(8) .
Co1 N3 C17 C18 -173.6(4) .
C19 C18 C17 N3 1.7(9) .
