#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:33:55 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180015 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/09/7030947.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_7030947
loop_
_publ_author_name
'Li, Yuan-Pu'
'Chai, Ying'
'Yang, Guo-Ping'
'Miao, Hui-Hui'
'Cui, Lin'
'Wang, Yao-Yu'
'Shi, Qi-Zhen'
_publ_section_title
;
 Metal ions and solvents ratio co-regulate four new magnetic coordination
 polymers based upon an unsymmetric tricarboxylate acid ligand.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10947
_journal_page_last               10955
_journal_paper_doi               10.1039/c4dt00995a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C70 H54 Co3 N12 O16'
_chemical_formula_weight         1496.04
_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                107.685(6)
_cell_angle_beta                 102.170(7)
_cell_angle_gamma                111.188(6)
_cell_formula_units_Z            1
_cell_length_a                   10.193(4)
_cell_length_b                   13.722(5)
_cell_length_c                   14.606(6)
_cell_measurement_temperature    296(2)
_cell_volume                     1692.5(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0296
_diffrn_reflns_av_sigmaI/netI    0.0620
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8518
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.805
_exptl_absorpt_correction_T_max  0.8428
_exptl_absorpt_correction_T_min  0.7942
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             767
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.095
_refine_diff_density_min         -1.796
_refine_diff_density_rms         0.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         5909
_refine_ls_number_restraints     312
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1144
_refine_ls_R_factor_gt           0.0731
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2094
_refine_ls_wR_factor_ref         0.3114
_reflns_number_gt                4343
_reflns_number_total             5909
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00995a2.cif
_cod_data_source_block           lyp-1
_cod_depositor_comments
'Adding full bibliography for 7030947--7030950.cif.'
_cod_original_cell_volume        1692.5(11)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7030947
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
Co1 Co 0.0000 0.0000 0.5000 0.0277(4) Uani 1 2 d SU
Co2 Co 0.23876(8) 1.09423(6) 1.08206(6) 0.0182(3) Uani 1 1 d U
C1 C -0.2486(9) 0.3477(6) 0.4943(7) 0.052(2) Uani 1 1 d U
H1A H -0.3334 0.3230 0.4375 0.063 Uiso 1 1 calc R
C2 C -0.1689(8) 0.4606(6) 0.5595(6) 0.0442(19) Uani 1 1 d U
H2A H -0.2030 0.5120 0.5489 0.053 Uiso 1 1 calc R
C3 C -0.0364(7) 0.5013(5) 0.6425(5) 0.0294(15) Uani 1 1 d U
C4 C 0.0102(7) 0.4233(5) 0.6588(5) 0.0269(14) Uani 1 1 d U
H4A H 0.0987 0.4501 0.7135 0.032 Uiso 1 1 calc R
C5 C -0.0715(7) 0.3041(5) 0.5955(5) 0.0284(15) Uani 1 1 d U
C6 C -0.2030(8) 0.2669(5) 0.5124(6) 0.0430(19) Uani 1 1 d U
H6A H -0.2604 0.1890 0.4691 0.052 Uiso 1 1 calc R
C7 C 0.2168(6) 0.6737(5) 0.7422(5) 0.0226(13) Uani 1 1 d U
H7A H 0.2606 0.6290 0.7141 0.027 Uiso 1 1 calc R
C8 C 0.3068(6) 0.7853(5) 0.8115(4) 0.0176(12) Uani 1 1 d U
C9 C 0.2457(6) 0.8565(5) 0.8506(5) 0.0196(12) Uani 1 1 d U
H9A H 0.3079 0.9326 0.8973 0.024 Uiso 1 1 calc R
C10 C 0.0869(6) 0.8113(4) 0.8181(5) 0.0177(12) Uani 1 1 d U
C11 C -0.0022(6) 0.6964(5) 0.7477(5) 0.0215(13) Uani 1 1 d U
H11A H -0.1065 0.6677 0.7241 0.026 Uiso 1 1 calc R
C12 C 0.0570(6) 0.6248(5) 0.7121(5) 0.0223(13) Uani 1 1 d U
C13 C 0.4784(6) 0.8325(5) 0.8465(5) 0.0211(13) Uani 1 1 d U
C14 C -0.0126(7) 0.2228(5) 0.6110(6) 0.0277(15) Uani 1 1 d U
C15 C 0.2217(10) 0.6410(6) 1.1633(7) 0.047(2) Uani 1 1 d U
H15A H 0.2214 0.6795 1.2277 0.056 Uiso 1 1 calc R
C16 C 0.2422(10) 0.5416(6) 1.1422(6) 0.045(2) Uani 1 1 d U
H16A H 0.2471 0.5098 1.1900 0.054 Uiso 1 1 calc R
C17 C 0.2549(7) 0.4927(5) 1.0500(5) 0.0284(14) Uani 1 1 d U
C18 C 0.2332(10) 0.5313(6) 0.9732(6) 0.046(2) Uani 1 1 d U
H18A H 0.2337 0.4928 0.9088 0.055 Uiso 1 1 calc R
C19 C 0.2107(11) 0.6285(7) 0.9945(7) 0.051(2) Uani 1 1 d U
H19A H 0.2015 0.6581 0.9454 0.061 Uiso 1 1 calc R
C20 C 0.2019(8) 0.6814(5) 1.0882(5) 0.0314(15) Uani 1 1 d U
C21 C 0.0212(6) 0.8883(4) 0.8655(5) 0.0197(13) Uani 1 1 d U
C22 C 0.0768(8) 0.8001(5) 1.1519(6) 0.0332(16) Uani 1 1 d U
H22A H 0.0154 0.7519 1.1748 0.040 Uiso 1 1 calc R
C23 C 0.2427(8) 0.8724(5) 1.0884(6) 0.0341(16) Uani 1 1 d U
H23A H 0.3174 0.8823 1.0599 0.041 Uiso 1 1 calc R
C24 C 0.0847(8) 0.9001(5) 1.1557(6) 0.0318(15) Uani 1 1 d U
H24A H 0.0283 0.9335 1.1820 0.038 Uiso 1 1 calc R
C25 C 0.2406(7) 1.3175(5) 1.0732(5) 0.0287(14) Uani 1 1 d U
H25A H 0.1904 1.3219 1.1194 0.034 Uiso 1 1 calc R
C26 C 0.3478(9) 1.2595(6) 0.9742(6) 0.0401(18) Uani 1 1 d U
H26A H 0.3861 1.2149 0.9384 0.048 Uiso 1 1 calc R
C27 C 0.3487(9) 1.3579(6) 0.9652(7) 0.0441(19) Uani 1 1 d U
H27A H 0.3878 1.3925 0.9248 0.053 Uiso 1 1 calc R
C28 C -0.4507(8) -0.4123(5) 0.5980(6) 0.0320(16) Uani 1 1 d U
H28 H -0.4192 -0.3546 0.6631 0.038 Uiso 1 1 calc R
C29 C -0.4675(8) -0.4713(5) 0.4234(6) 0.0348(17) Uani 1 1 d U
H29 H -0.4455 -0.4507 0.3714 0.042 Uiso 1 1 calc R
C30 C -0.4198(7) -0.3878(5) 0.5202(5) 0.0249(14) Uani 1 1 d U
C31 C -0.2414(8) -0.0805(6) 0.5953(6) 0.0420(19) Uani 1 1 d U
H31A H -0.2241 -0.0051 0.6283 0.050 Uiso 1 1 calc R
C32 C -0.3342(8) -0.1712(5) 0.6064(6) 0.0363(18) Uani 1 1 d U
H32A H -0.3885 -0.1697 0.6501 0.044 Uiso 1 1 calc R
C33 C -0.2370(9) -0.2299(6) 0.4937(7) 0.045(2) Uani 1 1 d U
H33A H -0.2153 -0.2765 0.4444 0.055 Uiso 1 1 calc R
C34 C 0.2261(14) 0.0301(9) 0.7108(9) 0.079(3) Uani 1 1 d U
H34A H 0.2270 0.0481 0.7806 0.095 Uiso 1 1 calc R
H34B H 0.1848 -0.0525 0.6744 0.095 Uiso 1 1 calc R
C35 C 0.3769(16) 0.0875(15) 0.7118(13) 0.141(6) Uani 1 1 d U
H35A H 0.4406 0.0616 0.7450 0.211 Uiso 1 1 calc R
H35B H 0.4165 0.1691 0.7487 0.211 Uiso 1 1 calc R
H35C H 0.3737 0.0699 0.6423 0.211 Uiso 1 1 calc R
N1 N 0.2837(6) 1.2383(4) 1.0421(4) 0.0266(12) Uani 1 1 d U
N2 N 0.2786(7) 1.3918(4) 1.0295(5) 0.0330(14) Uani 1 1 d U
N3 N 0.1769(6) 0.7818(4) 1.1076(5) 0.0325(13) Uani 1 1 d U
N4 N 0.1888(6) 0.9473(4) 1.1149(4) 0.0298(12) Uani 1 1 d U
N5 N -0.1772(7) -0.1162(4) 0.5284(5) 0.0358(14) Uani 1 1 d U
N6 N -0.3331(6) -0.2682(4) 0.5394(5) 0.0310(13) Uani 1 1 d U
O1 O 0.1082(4) 0.9896(3) 0.9300(3) 0.0243(10) Uani 1 1 d U
O2 O -0.1219(4) 0.8427(3) 0.8371(3) 0.0252(10) Uani 1 1 d U
O3 O 0.5380(5) 0.7937(4) 0.7855(4) 0.0293(11) Uani 1 1 d U
O4 O 0.5571(4) 0.9086(3) 0.9364(4) 0.0294(11) Uani 1 1 d U
O5 O 0.1000(6) 0.2604(4) 0.6912(4) 0.0395(12) Uani 1 1 d U
O6 O -0.0764(5) 0.1238(4) 0.5416(4) 0.0388(12) Uani 1 1 d U
O7 O 0.1367(7) 0.0731(5) 0.6578(4) 0.0532(15) Uani 1 1 d U
O8 O 0.401(3) 0.4559(18) 0.7777(18) 0.306(11) Uani 1 1 d U
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
O6 Co1 O6 180.0(3) 2_556 .
O6 Co1 O7 86.5(2) 2_556 2_556
O6 Co1 O7 93.5(2) . 2_556
O6 Co1 O7 93.5(2) 2_556 .
O6 Co1 O7 86.5(2) . .
O7 Co1 O7 180.000(1) 2_556 .
O6 Co1 N5 90.1(2) 2_556 2_556
O6 Co1 N5 89.9(2) . 2_556
O7 Co1 N5 89.4(2) 2_556 2_556
O7 Co1 N5 90.6(2) . 2_556
O6 Co1 N5 89.9(2) 2_556 .
O6 Co1 N5 90.1(2) . .
O7 Co1 N5 90.6(2) 2_556 .
O7 Co1 N5 89.4(2) . .
N5 Co1 N5 180.000(1) 2_556 .
O1 Co2 O2 112.31(17) . 2_577
O1 Co2 N4 89.8(2) . .
O2 Co2 N4 95.7(2) 2_577 .
O1 Co2 N1 87.83(19) . .
O2 Co2 N1 85.24(19) 2_577 .
N4 Co2 N1 177.6(2) . .
O1 Co2 O4 93.84(17) . 2_677
O2 Co2 O4 153.19(18) 2_577 2_677
N4 Co2 O4 90.01(19) . 2_677
N1 Co2 O4 90.12(18) . 2_677
O1 Co2 O3 153.04(16) . 2_677
O2 Co2 O3 93.52(16) 2_577 2_677
N4 Co2 O3 95.42(19) . 2_677
N1 Co2 O3 86.72(19) . 2_677
O4 Co2 O3 59.81(16) 2_677 2_677
C2 C1 C6 120.1(7) . .
C2 C1 H1A 119.9 . .
C6 C1 H1A 119.9 . .
C1 C2 C3 121.4(7) . .
C1 C2 H2A 119.3 . .
C3 C2 H2A 119.3 . .
C4 C3 C2 118.5(6) . .
C4 C3 C12 118.8(6) . .
C2 C3 C12 122.7(6) . .
C3 C4 C5 122.4(6) . .
C3 C4 H4A 118.8 . .
C5 C4 H4A 118.8 . .
C6 C5 C4 117.3(6) . .
C6 C5 C14 121.5(6) . .
C4 C5 C14 121.0(6) . .
C5 C6 C1 120.2(6) . .
C5 C6 H6A 119.9 . .
C1 C6 H6A 119.9 . .
C8 C7 C12 120.9(5) . .
C8 C7 H7A 119.5 . .
C12 C7 H7A 119.5 . .
C7 C8 C9 121.2(5) . .
C7 C8 C13 119.3(5) . .
C9 C8 C13 119.5(5) . .
C8 C9 C10 118.8(5) . .
C8 C9 H9A 120.6 . .
C10 C9 H9A 120.6 . .
C11 C10 C9 118.6(5) . .
C11 C10 C21 122.9(5) . .
C9 C10 C21 118.4(5) . .
C12 C11 C10 122.9(5) . .
C12 C11 H11A 118.5 . .
C10 C11 H11A 118.5 . .
C11 C12 C7 117.2(5) . .
C11 C12 C3 123.3(5) . .
C7 C12 C3 119.4(5) . .
O4 C13 O3 121.5(5) . .
O4 C13 C8 118.3(5) . .
O3 C13 C8 120.2(5) . .
O6 C14 O5 125.1(6) . .
O6 C14 C5 116.8(7) . .
O5 C14 C5 118.1(6) . .
C20 C15 C16 120.0(7) . .
C20 C15 H15A 120.0 . .
C16 C15 H15A 120.0 . .
C17 C16 C15 118.5(7) . .
C17 C16 H16A 120.8 . .
C15 C16 H16A 120.8 . .
C16 C17 C18 122.0(6) . .
C16 C17 N2 118.3(6) . 1_545
C18 C17 N2 119.5(6) . 1_545
C19 C18 C17 118.6(7) . .
C19 C18 H18A 120.7 . .
C17 C18 H18A 120.7 . .
C20 C19 C18 120.3(7) . .
C20 C19 H19A 119.8 . .
C18 C19 H19A 119.8 . .
C19 C20 C15 120.3(6) . .
C19 C20 N3 119.0(6) . .
C15 C20 N3 120.7(6) . .
O1 C21 O2 124.4(5) . .
O1 C21 C10 119.4(5) . .
O2 C21 C10 116.2(5) . .
C24 C22 N3 106.7(5) . .
C24 C22 H22A 126.7 . .
N3 C22 H22A 126.7 . .
N4 C23 N3 111.7(6) . .
N4 C23 H23A 124.1 . .
N3 C23 H23A 124.1 . .
C22 C24 N4 110.2(6) . .
C22 C24 H24A 124.9 . .
N4 C24 H24A 124.9 . .
N1 C25 N2 111.1(6) . .
N1 C25 H25A 124.4 . .
N2 C25 H25A 124.4 . .
N1 C26 C27 110.2(6) . .
N1 C26 H26A 124.9 . .
C27 C26 H26A 124.9 . .
N2 C27 C26 103.9(6) . .
N2 C27 H27A 128.1 . .
C26 C27 H27A 128.1 . .
C30 C28 C29 117.1(6) . 2_446
C30 C28 H28 121.5 . .
C29 C28 H28 121.4 2_446 .
C30 C29 C28 120.6(6) . 2_446
C30 C29 H29 119.7 . .
C28 C29 H29 119.7 2_446 .
C28 C30 C29 122.3(5) . .
C28 C30 N6 119.0(6) . .
C29 C30 N6 118.7(5) . .
C32 C31 N5 109.4(6) . .
C32 C31 H31A 125.3 . .
N5 C31 H31A 125.3 . .
C31 C32 N6 106.6(6) . .
C31 C32 H32A 126.7 . .
N6 C32 H32A 126.7 . .
N5 C33 N6 110.6(6) . .
N5 C33 H33A 124.7 . .
N6 C33 H33A 124.7 . .
C35 C34 O7 105.9(10) . .
C35 C34 H34A 110.6 . .
O7 C34 H34A 110.6 . .
C35 C34 H34B 110.6 . .
O7 C34 H34B 110.6 . .
H34A C34 H34B 108.7 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C25 N1 C26 106.5(5) . .
C25 N1 Co2 125.7(4) . .
C26 N1 Co2 127.6(4) . .
C25 N2 C27 108.3(5) . .
C25 N2 C17 125.9(6) . 1_565
C27 N2 C17 125.7(5) . 1_565
C23 N3 C22 106.9(5) . .
C23 N3 C20 128.6(6) . .
C22 N3 C20 124.5(5) . .
C23 N4 C24 104.5(5) . .
C23 N4 Co2 125.4(4) . .
C24 N4 Co2 129.7(4) . .
C33 N5 C31 107.1(5) . .
C33 N5 Co1 129.6(5) . .
C31 N5 Co1 123.2(4) . .
C33 N6 C32 106.2(5) . .
C33 N6 C30 126.0(5) . .
C32 N6 C30 127.8(5) . .
C21 O1 Co2 145.3(4) . .
C21 O2 Co2 124.4(4) . 2_577
C13 O3 Co2 87.0(4) . 2_677
C13 O4 Co2 91.5(3) . 2_677
C14 O6 Co1 131.1(5) . .
C34 O7 Co1 128.6(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O6 2.096(5) 2_556
Co1 O6 2.096(5) .
Co1 O7 2.119(6) 2_556
Co1 O7 2.119(6) .
Co1 N5 2.148(5) 2_556
Co1 N5 2.148(5) .
Co2 O1 2.049(4) .
Co2 O2 2.069(4) 2_577
Co2 N4 2.123(5) .
Co2 N1 2.148(5) .
Co2 O4 2.166(4) 2_677
Co2 O3 2.256(5) 2_677
C1 C2 1.355(10) .
C1 C6 1.419(11) .
C1 H1A 0.9300 .
C2 C3 1.399(10) .
C2 H2A 0.9300 .
C3 C4 1.380(9) .
C3 C12 1.479(8) .
C4 C5 1.412(8) .
C4 H4A 0.9300 .
C5 C6 1.404(10) .
C5 C14 1.496(9) .
C6 H6A 0.9300 .
C7 C8 1.365(8) .
C7 C12 1.424(8) .
C7 H7A 0.9300 .
C8 C9 1.385(8) .
C8 C13 1.531(7) .
C9 C10 1.414(7) .
C9 H9A 0.9300 .
C10 C11 1.398(8) .
C10 C21 1.519(7) .
C11 C12 1.360(8) .
C11 H11A 0.9300 .
C13 O4 1.256(8) .
C13 O3 1.273(7) .
C14 O6 1.242(8) .
C14 O5 1.262(9) .
C15 C20 1.382(10) .
C15 C16 1.407(9) .
C15 H15A 0.9300 .
C16 C17 1.366(10) .
C16 H16A 0.9300 .
C17 C18 1.389(10) .
C17 N2 1.445(7) 1_545
C18 C19 1.389(10) .
C18 H18A 0.9300 .
C19 C20 1.379(11) .
C19 H19A 0.9300 .
C20 N3 1.445(8) .
C21 O1 1.252(7) .
C21 O2 1.272(7) .
C22 C24 1.328(9) .
C22 N3 1.375(8) .
C22 H22A 0.9300 .
C23 N4 1.328(8) .
C23 N3 1.328(8) .
C23 H23A 0.9300 .
C24 N4 1.379(8) .
C24 H24A 0.9300 .
C25 N1 1.307(8) .
C25 N2 1.345(8) .
C25 H25A 0.9300 .
C26 N1 1.344(9) .
C26 C27 1.394(9) .
C26 H26A 0.9300 .
C27 N2 1.366(9) .
C27 H27A 0.9300 .
C28 C30 1.345(9) .
C28 C29 1.403(8) 2_446
C28 H28 0.9300 .
C29 C30 1.368(10) .
C29 C28 1.403(8) 2_446
C29 H29 0.9300 .
C30 N6 1.456(7) .
C31 C32 1.344(8) .
C31 N5 1.353(9) .
C31 H31A 0.9300 .
C32 N6 1.398(8) .
C32 H32A 0.9300 .
C33 N5 1.329(8) .
C33 N6 1.341(8) .
C33 H33A 0.9300 .
C34 C35 1.446(17) .
C34 O7 1.465(12) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
N2 C17 1.445(7) 1_565
O2 Co2 2.069(4) 2_577
O3 Co2 2.256(5) 2_677
O4 Co2 2.166(4) 2_677
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
C6 C1 C2 C3 3.4(13) . .
C1 C2 C3 C4 -1.8(11) . .
C1 C2 C3 C12 177.0(7) . .
C2 C3 C4 C5 -0.6(10) . .
C12 C3 C4 C5 -179.4(6) . .
C3 C4 C5 C6 1.2(10) . .
C3 C4 C5 C14 175.9(6) . .
C4 C5 C6 C1 0.4(10) . .
C14 C5 C6 C1 -174.3(7) . .
C2 C1 C6 C5 -2.7(12) . .
C12 C7 C8 C9 -3.7(9) . .
C12 C7 C8 C13 176.4(5) . .
C7 C8 C9 C10 0.6(9) . .
C13 C8 C9 C10 -179.5(5) . .
C8 C9 C10 C11 0.0(9) . .
C8 C9 C10 C21 176.9(5) . .
C9 C10 C11 C12 2.7(9) . .
C21 C10 C11 C12 -174.1(6) . .
C10 C11 C12 C7 -5.6(9) . .
C10 C11 C12 C3 176.2(6) . .
C8 C7 C12 C11 6.0(9) . .
C8 C7 C12 C3 -175.7(6) . .
C4 C3 C12 C11 -139.5(6) . .
C2 C3 C12 C11 41.7(10) . .
C4 C3 C12 C7 42.3(9) . .
C2 C3 C12 C7 -136.5(7) . .
C7 C8 C13 O4 -148.4(6) . .
C9 C8 C13 O4 31.8(8) . .
C7 C8 C13 O3 30.8(8) . .
C9 C8 C13 O3 -149.1(6) . .
C6 C5 C14 O6 7.1(9) . .
C4 C5 C14 O6 -167.4(6) . .
C6 C5 C14 O5 -175.2(6) . .
C4 C5 C14 O5 10.4(9) . .
C20 C15 C16 C17 5.5(13) . .
C15 C16 C17 C18 -6.5(12) . .
C15 C16 C17 N2 178.9(7) . 1_545
C16 C17 C18 C19 5.6(12) . .
N2 C17 C18 C19 -180.0(7) 1_545 .
C17 C18 C19 C20 -3.5(13) . .
C18 C19 C20 C15 2.7(13) . .
C18 C19 C20 N3 -179.4(7) . .
C16 C15 C20 C19 -3.7(13) . .
C16 C15 C20 N3 178.4(7) . .
C11 C10 C21 O1 178.3(6) . .
C9 C10 C21 O1 1.5(8) . .
C11 C10 C21 O2 -0.5(9) . .
C9 C10 C21 O2 -177.3(5) . .
N3 C22 C24 N4 -0.2(9) . .
N1 C26 C27 N2 -1.4(9) . .
C29 C28 C30 C29 1.3(12) 2_446 .
C29 C28 C30 N6 -179.0(6) 2_446 .
C28 C29 C30 C28 -1.3(12) 2_446 .
C28 C29 C30 N6 179.0(6) 2_446 .
N5 C31 C32 N6 -3.0(9) . .
N2 C25 N1 C26 -1.6(8) . .
N2 C25 N1 Co2 -176.2(4) . .
C27 C26 N1 C25 1.9(9) . .
C27 C26 N1 Co2 176.3(5) . .
O1 Co2 N1 C25 114.3(6) . .
O2 Co2 N1 C25 1.7(5) 2_577 .
N4 Co2 N1 C25 115(5) . .
O4 Co2 N1 C25 -151.8(6) 2_677 .
O3 Co2 N1 C25 -92.1(6) 2_677 .
O1 Co2 N1 C26 -59.1(6) . .
O2 Co2 N1 C26 -171.7(6) 2_577 .
N4 Co2 N1 C26 -58(5) . .
O4 Co2 N1 C26 34.8(6) 2_677 .
O3 Co2 N1 C26 94.5(6) 2_677 .
N1 C25 N2 C27 0.8(9) . .
N1 C25 N2 C17 -176.9(6) . 1_565
C26 C27 N2 C25 0.3(9) . .
C26 C27 N2 C17 178.0(7) . 1_565
N4 C23 N3 C22 -1.7(9) . .
N4 C23 N3 C20 178.8(7) . .
C24 C22 N3 C23 1.1(8) . .
C24 C22 N3 C20 -179.3(7) . .
C19 C20 N3 C23 -45.1(11) . .
C15 C20 N3 C23 132.9(8) . .
C19 C20 N3 C22 135.5(8) . .
C15 C20 N3 C22 -46.6(11) . .
N3 C23 N4 C24 1.5(8) . .
N3 C23 N4 Co2 -171.9(5) . .
C22 C24 N4 C23 -0.7(8) . .
C22 C24 N4 Co2 172.3(5) . .
O1 Co2 N4 C23 72.3(6) . .
O2 Co2 N4 C23 -175.3(6) 2_577 .
N1 Co2 N4 C23 72(5) . .
O4 Co2 N4 C23 -21.6(6) 2_677 .
O3 Co2 N4 C23 -81.2(6) 2_677 .
O1 Co2 N4 C24 -99.4(6) . .
O2 Co2 N4 C24 13.0(6) 2_577 .
N1 Co2 N4 C24 -100(5) . .
O4 Co2 N4 C24 166.7(6) 2_677 .
O3 Co2 N4 C24 107.1(6) 2_677 .
N6 C33 N5 C31 -2.7(10) . .
N6 C33 N5 Co1 172.7(5) . .
C32 C31 N5 C33 3.5(10) . .
C32 C31 N5 Co1 -172.2(5) . .
O6 Co1 N5 C33 -21.1(8) 2_556 .
O6 Co1 N5 C33 158.9(8) . .
O7 Co1 N5 C33 65.4(8) 2_556 .
O7 Co1 N5 C33 -114.6(8) . .
N5 Co1 N5 C33 0(100) 2_556 .
O6 Co1 N5 C31 153.6(6) 2_556 .
O6 Co1 N5 C31 -26.4(6) . .
O7 Co1 N5 C31 -119.9(6) 2_556 .
O7 Co1 N5 C31 60.1(6) . .
N5 Co1 N5 C31 0(100) 2_556 .
N5 C33 N6 C32 0.8(10) . .
N5 C33 N6 C30 179.7(7) . .
C31 C32 N6 C33 1.4(9) . .
C31 C32 N6 C30 -177.5(7) . .
C28 C30 N6 C33 147.8(8) . .
C29 C30 N6 C33 -32.5(11) . .
C28 C30 N6 C32 -33.5(10) . .
C29 C30 N6 C32 146.2(8) . .
O2 C21 O1 Co2 94.2(8) . .
C10 C21 O1 Co2 -84.5(8) . .
O2 Co2 O1 C21 -91.7(6) 2_577 .
N4 Co2 O1 C21 4.4(7) . .
N1 Co2 O1 C21 -175.6(7) . .
O4 Co2 O1 C21 94.4(7) 2_677 .
O3 Co2 O1 C21 106.0(7) 2_677 .
O1 C21 O2 Co2 -18.4(8) . 2_577
C10 C21 O2 Co2 160.3(4) . 2_577
O4 C13 O3 Co2 3.9(6) . 2_677
C8 C13 O3 Co2 -175.2(5) . 2_677
O3 C13 O4 Co2 -4.1(6) . 2_677
C8 C13 O4 Co2 175.1(4) . 2_677
O5 C14 O6 Co1 -21.4(9) . .
C5 C14 O6 Co1 156.3(4) . .
O6 Co1 O6 C14 17(100) 2_556 .
O7 Co1 O6 C14 -149.5(6) 2_556 .
O7 Co1 O6 C14 30.5(6) . .
N5 Co1 O6 C14 -60.0(6) 2_556 .
N5 Co1 O6 C14 120.0(6) . .
C35 C34 O7 Co1 94.5(10) . .
O6 Co1 O7 C34 -9.2(8) 2_556 .
O6 Co1 O7 C34 170.8(8) . .
O7 Co1 O7 C34 0(100) 2_556 .
N5 Co1 O7 C34 -99.4(8) 2_556 .
N5 Co1 O7 C34 80.6(8) . .
