#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:30:31 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180397 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/66/7206649.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_7206649
loop_
_publ_author_name
'Huang, Fu-Ping'
'Bian, He-Dong'
'Yu, Qing'
'Tian, Jin-Lei'
'Liang, Hong'
'Yan, Shi-Ping'
'Liao, Dai-Zheng'
'Cheng, Peng'
_publ_section_title
;
 Coordination assemblies of Coii/Niii/Mnii/Znii with
 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional
 isomeric ligands: structural diversity and properties
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              6538
_journal_paper_doi               10.1039/c1ce05562c
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C28 H25 Co N5 O6'
_chemical_formula_weight         586.46
_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                103.76(3)
_cell_angle_beta                 102.53(3)
_cell_angle_gamma                94.49(3)
_cell_formula_units_Z            2
_cell_length_a                   9.850(2)
_cell_length_b                   11.721(2)
_cell_length_c                   12.217(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1324.8(5)
_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  0.0363
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13581
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    0.701
_exptl_absorpt_correction_T_max  0.799
_exptl_absorpt_correction_T_min  0.703
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             606
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         6048
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0474
_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)+(0.0423P)²+0.6777P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1083
_reflns_number_gt                4998
_reflns_number_total             6048
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05562c.txt
_cod_data_source_block           aa1
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7206649
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 0.5000 0.0000 0.02586(12) Uani 1 2 d S
Co2 Co 0.0000 0.5000 0.5000 0.02426(12) Uani 1 2 d S
C1 C -0.0798(2) 0.3284(2) 0.13389(19) 0.0292(5) Uani 1 1 d .
C2 C -0.0700(2) 0.2139(2) 0.1678(2) 0.0301(5) Uani 1 1 d .
C3 C -0.1960(3) 0.1469(2) 0.1602(2) 0.0396(6) Uani 1 1 d .
H3A H -0.2800 0.1749 0.1356 0.048 Uiso 1 1 calc R
C4 C -0.1990(3) 0.0403(2) 0.1882(3) 0.0498(7) Uani 1 1 d .
H4A H -0.2845 -0.0045 0.1804 0.060 Uiso 1 1 calc R
C5 C -0.0763(4) 0.0002(3) 0.2275(3) 0.0537(8) Uani 1 1 d .
H5A H -0.0777 -0.0712 0.2482 0.064 Uiso 1 1 calc R
C6 C 0.0492(3) 0.0655(2) 0.2365(2) 0.0464(7) Uani 1 1 d .
H6C H 0.1324 0.0378 0.2643 0.056 Uiso 1 1 calc R
C7 C 0.0555(3) 0.1717(2) 0.2053(2) 0.0325(5) Uani 1 1 d .
C8 C 0.1977(3) 0.2279(2) 0.2089(2) 0.0332(5) Uani 1 1 d .
C9 C 0.2575(3) 0.1789(3) 0.1189(2) 0.0496(7) Uani 1 1 d .
H9A H 0.2053 0.1174 0.0574 0.060 Uiso 1 1 calc R
C10 C 0.3921(3) 0.2190(3) 0.1184(3) 0.0610(9) Uani 1 1 d .
H10A H 0.4292 0.1859 0.0561 0.073 Uiso 1 1 calc R
C11 C 0.4715(3) 0.3075(3) 0.2093(3) 0.0517(8) Uani 1 1 d .
H11A H 0.5618 0.3362 0.2081 0.062 Uiso 1 1 calc R
C12 C 0.4173(3) 0.3539(2) 0.3023(2) 0.0384(6) Uani 1 1 d .
H12A H 0.4730 0.4117 0.3654 0.046 Uiso 1 1 calc R
C13 C 0.2807(2) 0.3158(2) 0.3035(2) 0.0297(5) Uani 1 1 d .
C14 C 0.2281(2) 0.37403(19) 0.4059(2) 0.0264(5) Uani 1 1 d .
C15 C 0.2451(3) 0.5809(2) 0.2106(2) 0.0402(6) Uani 1 1 d .
H15A H 0.2306 0.5006 0.2070 0.048 Uiso 1 1 calc R
C16 C 0.3629(3) 0.6492(2) 0.2876(2) 0.0389(6) Uani 1 1 d .
H16A H 0.4256 0.6154 0.3350 0.047 Uiso 1 1 calc R
C17 C 0.3867(2) 0.7674(2) 0.29363(19) 0.0284(5) Uani 1 1 d .
C18 C 0.2881(3) 0.8132(2) 0.2236(2) 0.0366(6) Uani 1 1 d .
H18A H 0.2999 0.8934 0.2263 0.044 Uiso 1 1 calc R
C19 C 0.1727(3) 0.7399(2) 0.1503(2) 0.0365(6) Uani 1 1 d .
H19A H 0.1064 0.7725 0.1048 0.044 Uiso 1 1 calc R
C20 C 0.5131(2) 0.8451(2) 0.3660(2) 0.0281(5) Uani 1 1 d .
C21 C 0.6702(2) 0.9904(2) 0.4403(2) 0.0297(5) Uani 1 1 d .
C22 C 0.7459(2) 1.1086(2) 0.4641(2) 0.0286(5) Uani 1 1 d .
C23 C 0.8878(3) 1.1357(2) 0.5152(2) 0.0395(6) Uani 1 1 d .
H23A H 0.9376 1.0793 0.5416 0.047 Uiso 1 1 calc R
C24 C 0.9542(3) 1.2455(2) 0.5266(2) 0.0407(6) Uani 1 1 d .
H24A H 1.0505 1.2613 0.5589 0.049 Uiso 1 1 calc R
C25 C 0.7510(2) 1.3066(2) 0.4490(2) 0.0349(6) Uani 1 1 d .
H25A H 0.7023 1.3662 0.4285 0.042 Uiso 1 1 calc R
C26 C 0.6768(2) 1.1973(2) 0.4312(2) 0.0341(5) Uani 1 1 d .
H26A H 0.5809 1.1831 0.3973 0.041 Uiso 1 1 calc R
C27 C 0.1916(4) 0.3361(3) -0.1226(3) 0.0637(9) Uani 1 1 d .
H27A H 0.1245 0.3169 -0.1975 0.076 Uiso 1 1 calc R
H27B H 0.1718 0.2762 -0.0834 0.076 Uiso 1 1 calc R
C28 C 0.3352(4) 0.3327(4) -0.1412(4) 0.0907(14) Uani 1 1 d U
H28A H 0.3417 0.2553 -0.1868 0.136 Uiso 1 1 calc R
H28B H 0.4020 0.3498 -0.0674 0.136 Uiso 1 1 calc R
H28C H 0.3548 0.3909 -0.1813 0.136 Uiso 1 1 calc R
H6B H 0.1784 0.5268 0.7054 0.109 Uiso 1 1 d R
H6A H 0.2252 0.4624 0.6206 0.109 Uiso 1 1 d R
H2A H 0.6307 0.7460 0.4501 0.109 Uiso 1 1 d R
H5D H 0.1894 0.4999 -0.0969 0.109 Uiso 1 1 d R
N1 N 0.1508(2) 0.62380(17) 0.14095(17) 0.0319(4) Uani 1 1 d .
N2 N 0.6185(2) 0.81427(17) 0.43742(18) 0.0341(5) Uani 1 1 d .
N3 N 0.7218(2) 0.90627(18) 0.48540(19) 0.0362(5) Uani 1 1 d .
N4 N 0.5421(2) 0.95671(17) 0.36630(17) 0.0310(4) Uani 1 1 d .
N5 N 0.8885(2) 1.33224(17) 0.49392(17) 0.0308(4) Uani 1 1 d .
O1 O 0.01218(16) 0.36633(14) 0.09076(14) 0.0305(4) Uani 1 1 d .
O2 O -0.18695(17) 0.37736(15) 0.14720(15) 0.0361(4) Uani 1 1 d .
O3 O 0.11083(16) 0.40705(14) 0.38790(14) 0.0313(4) Uani 1 1 d .
O4 O 0.31067(17) 0.38908(14) 0.50580(14) 0.0331(4) Uani 1 1 d .
O5 O 0.17406(19) 0.44626(16) -0.05704(17) 0.0410(4) Uani 1 1 d .
O6 O 0.14763(17) 0.47835(15) 0.64052(14) 0.0352(4) 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'
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
O5 Co1 O5 180.00(10) . 2_565 y
O5 Co1 O1 88.07(7) . . y
O5 Co1 O1 91.93(7) 2_565 . y
O5 Co1 O1 91.93(7) . 2_565 y
O5 Co1 O1 88.07(7) 2_565 2_565 y
O1 Co1 O1 180.00(4) . 2_565 y
O5 Co1 N1 84.94(8) . . y
O5 Co1 N1 95.06(8) 2_565 . y
O1 Co1 N1 92.01(7) . . y
O1 Co1 N1 87.99(7) 2_565 . y
O5 Co1 N1 95.06(8) . 2_565 y
O5 Co1 N1 84.94(8) 2_565 2_565 y
O1 Co1 N1 87.99(7) . 2_565 y
O1 Co1 N1 92.01(7) 2_565 2_565 y
N1 Co1 N1 180.0 . 2_565 y
O6 Co2 O6 180.0 . 2_566 y
O6 Co2 O3 90.61(7) . 2_566 y
O6 Co2 O3 89.39(7) 2_566 2_566 y
O6 Co2 O3 89.39(7) . . y
O6 Co2 O3 90.61(7) 2_566 . y
O3 Co2 O3 180.00(7) 2_566 . y
O6 Co2 N5 92.66(8) . 2_676 y
O6 Co2 N5 87.34(8) 2_566 2_676 y
O3 Co2 N5 88.07(7) 2_566 2_676 y
O3 Co2 N5 91.93(7) . 2_676 y
O6 Co2 N5 87.34(8) . 1_445 y
O6 Co2 N5 92.66(8) 2_566 1_445 y
O3 Co2 N5 91.93(7) 2_566 1_445 y
O3 Co2 N5 88.07(7) . 1_445 y
N5 Co2 N5 180.0 2_676 1_445 y
O1 C1 O2 124.4(2) . . ?
O1 C1 C2 119.4(2) . . ?
O2 C1 C2 116.1(2) . . ?
C3 C2 C7 119.0(2) . . ?
C3 C2 C1 116.6(2) . . ?
C7 C2 C1 124.4(2) . . ?
C4 C3 C2 121.4(3) . . ?
C4 C3 H3A 119.3 . . ?
C2 C3 H3A 119.3 . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 H4A 120.2 . . ?
C3 C4 H4A 120.2 . . ?
C4 C5 C6 119.8(3) . . ?
C4 C5 H5A 120.1 . . ?
C6 C5 H5A 120.1 . . ?
C5 C6 C7 121.8(3) . . ?
C5 C6 H6C 119.1 . . ?
C7 C6 H6C 119.1 . . ?
C6 C7 C2 118.3(2) . . ?
C6 C7 C8 116.2(2) . . ?
C2 C7 C8 125.3(2) . . ?
C9 C8 C13 118.3(2) . . ?
C9 C8 C7 117.1(2) . . ?
C13 C8 C7 124.1(2) . . ?
C10 C9 C8 121.5(3) . . ?
C10 C9 H9A 119.2 . . ?
C8 C9 H9A 119.2 . . ?
C11 C10 C9 120.1(3) . . ?
C11 C10 H10A 120.0 . . ?
C9 C10 H10A 120.0 . . ?
C10 C11 C12 119.7(3) . . ?
C10 C11 H11A 120.2 . . ?
C12 C11 H11A 120.2 . . ?
C11 C12 C13 121.1(3) . . ?
C11 C12 H12A 119.5 . . ?
C13 C12 H12A 119.5 . . ?
C12 C13 C8 119.3(2) . . ?
C12 C13 C14 117.6(2) . . ?
C8 C13 C14 123.0(2) . . ?
O3 C14 O4 125.1(2) . . ?
O3 C14 C13 118.2(2) . . ?
O4 C14 C13 116.7(2) . . ?
N1 C15 C16 123.5(2) . . ?
N1 C15 H15A 118.3 . . ?
C16 C15 H15A 118.3 . . ?
C17 C16 C15 119.1(2) . . ?
C17 C16 H16A 120.4 . . ?
C15 C16 H16A 120.4 . . ?
C16 C17 C18 117.8(2) . . ?
C16 C17 C20 123.3(2) . . ?
C18 C17 C20 118.9(2) . . ?
C19 C18 C17 119.6(2) . . ?
C19 C18 H18A 120.2 . . ?
C17 C18 H18A 120.2 . . ?
N1 C19 C18 123.1(2) . . ?
N1 C19 H19A 118.4 . . ?
C18 C19 H19A 118.4 . . ?
N4 C20 N2 109.9(2) . . ?
N4 C20 C17 124.0(2) . . ?
N2 C20 C17 126.1(2) . . ?
N3 C21 N4 114.5(2) . . ?
N3 C21 C22 123.4(2) . . ?
N4 C21 C22 122.0(2) . . ?
C26 C22 C23 117.6(2) . . ?
C26 C22 C21 119.9(2) . . ?
C23 C22 C21 122.5(2) . . ?
C24 C23 C22 119.4(2) . . ?
C24 C23 H23A 120.3 . . ?
C22 C23 H23A 120.3 . . ?
N5 C24 C23 123.6(2) . . ?
N5 C24 H24A 118.2 . . ?
C23 C24 H24A 118.2 . . ?
N5 C25 C26 123.7(2) . . ?
N5 C25 H25A 118.1 . . ?
C26 C25 H25A 118.1 . . ?
C25 C26 C22 119.2(2) . . ?
C25 C26 H26A 120.4 . . ?
C22 C26 H26A 120.4 . . ?
O5 C27 C28 112.7(3) . . ?
O5 C27 H27A 109.0 . . ?
C28 C27 H27A 109.0 . . ?
O5 C27 H27B 109.0 . . ?
C28 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C15 N1 C19 116.8(2) . . ?
C15 N1 Co1 118.29(16) . . ?
C19 N1 Co1 123.70(16) . . ?
C20 N2 N3 110.21(18) . . ?
C20 N2 H2A 129.9 . . ?
N3 N2 H2A 119.6 . . ?
C21 N3 N2 102.25(18) . . ?
C20 N4 C21 103.16(19) . . ?
C25 N5 C24 116.4(2) . . ?
C25 N5 Co2 120.98(16) . 1_665 ?
C24 N5 Co2 122.42(16) . 1_665 ?
C1 O1 Co1 126.82(15) . . ?
C14 O3 Co2 132.03(15) . . ?
C27 O5 Co1 129.55(19) . . ?
C27 O5 H5D 107.2 . . ?
Co1 O5 H5D 101.1 . . ?
Co2 O6 H6B 127.3 . . ?
Co2 O6 H6A 110.4 . . ?
H6B O6 H6A 101.4 . . ?
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
Co1 O5 2.0738(18) . y
Co1 O5 2.0738(18) 2_565 y
Co1 O1 2.1206(16) . y
Co1 O1 2.1206(16) 2_565 y
Co1 N1 2.154(2) . y
Co1 N1 2.154(2) 2_565 y
Co2 O6 2.0757(17) . y
Co2 O6 2.0757(17) 2_566 y
Co2 O3 2.0927(17) 2_566 y
Co2 O3 2.0927(17) . y
Co2 N5 2.153(2) 2_676 y
Co2 N5 2.153(2) 1_445 y
C1 O1 1.245(3) . ?
C1 O2 1.263(3) . ?
C1 C2 1.499(3) . ?
C2 C3 1.388(3) . ?
C2 C7 1.394(3) . ?
C3 C4 1.372(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.363(4) . ?
C4 H4A 0.9300 . ?
C5 C6 1.370(4) . ?
C5 H5A 0.9300 . ?
C6 C7 1.387(4) . ?
C6 H6C 0.9300 . ?
C7 C8 1.488(3) . ?
C8 C9 1.385(4) . ?
C8 C13 1.399(3) . ?
C9 C10 1.373(4) . ?
C9 H9A 0.9300 . ?
C10 C11 1.367(5) . ?
C10 H10A 0.9300 . ?
C11 C12 1.374(4) . ?
C11 H11A 0.9300 . ?
C12 C13 1.389(3) . ?
C12 H12A 0.9300 . ?
C13 C14 1.493(3) . ?
C14 O3 1.238(3) . ?
C14 O4 1.275(3) . ?
C15 N1 1.331(3) . ?
C15 C16 1.377(3) . ?
C15 H15A 0.9300 . ?
C16 C17 1.369(3) . ?
C16 H16A 0.9300 . ?
C17 C18 1.379(3) . ?
C17 C20 1.458(3) . ?
C18 C19 1.368(3) . ?
C18 H18A 0.9300 . ?
C19 N1 1.334(3) . ?
C19 H19A 0.9300 . ?
C20 N4 1.316(3) . ?
C20 N2 1.336(3) . ?
C21 N3 1.323(3) . ?
C21 N4 1.350(3) . ?
C21 C22 1.454(3) . ?
C22 C26 1.377(3) . ?
C22 C23 1.379(3) . ?
C23 C24 1.359(3) . ?
C23 H23A 0.9300 . ?
C24 N5 1.340(3) . ?
C24 H24A 0.9300 . ?
C25 N5 1.327(3) . ?
C25 C26 1.369(3) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 O5 1.393(4) . ?
C27 C28 1.482(5) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
N2 N3 1.346(3) . ?
N2 H2A 0.8627 . ?
N5 Co2 2.153(2) 1_665 ?
O5 H5D 0.9043 . ?
O6 H6B 0.8350 . ?
O6 H6A 0.8715 . ?
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 -149.2(2) . .
O2 C1 C2 C3 27.8(3) . .
O1 C1 C2 C7 30.6(3) . .
O2 C1 C2 C7 -152.4(2) . .
C7 C2 C3 C4 -0.4(4) . .
C1 C2 C3 C4 179.5(2) . .
C2 C3 C4 C5 1.9(4) . .
C3 C4 C5 C6 -1.3(5) . .
C4 C5 C6 C7 -0.7(5) . .
C5 C6 C7 C2 2.2(4) . .
C5 C6 C7 C8 -174.5(3) . .
C3 C2 C7 C6 -1.6(4) . .
C1 C2 C7 C6 178.5(2) . .
C3 C2 C7 C8 174.7(2) . .
C1 C2 C7 C8 -5.1(4) . .
C6 C7 C8 C9 76.3(3) . .
C2 C7 C8 C9 -100.1(3) . .
C6 C7 C8 C13 -95.2(3) . .
C2 C7 C8 C13 88.4(3) . .
C13 C8 C9 C10 -3.4(4) . .
C7 C8 C9 C10 -175.4(3) . .
C8 C9 C10 C11 1.4(5) . .
C9 C10 C11 C12 1.7(5) . .
C10 C11 C12 C13 -2.7(4) . .
C11 C12 C13 C8 0.7(4) . .
C11 C12 C13 C14 -177.7(2) . .
C9 C8 C13 C12 2.3(3) . .
C7 C8 C13 C12 173.7(2) . .
C9 C8 C13 C14 -179.3(2) . .
C7 C8 C13 C14 -8.0(4) . .
C12 C13 C14 O3 133.1(2) . .
C8 C13 C14 O3 -45.3(3) . .
C12 C13 C14 O4 -44.8(3) . .
C8 C13 C14 O4 136.9(2) . .
N1 C15 C16 C17 -0.5(5) . .
C15 C16 C17 C18 1.8(4) . .
C15 C16 C17 C20 -175.4(3) . .
C16 C17 C18 C19 -1.0(4) . .
C20 C17 C18 C19 176.3(2) . .
C17 C18 C19 N1 -1.2(4) . .
C16 C17 C20 N4 174.8(2) . .
C18 C17 C20 N4 -2.4(4) . .
C16 C17 C20 N2 -2.2(4) . .
C18 C17 C20 N2 -179.4(2) . .
N3 C21 C22 C26 -168.4(2) . .
N4 C21 C22 C26 13.9(4) . .
N3 C21 C22 C23 14.1(4) . .
N4 C21 C22 C23 -163.6(2) . .
C26 C22 C23 C24 -2.7(4) . .
C21 C22 C23 C24 174.8(3) . .
C22 C23 C24 N5 2.2(4) . .
N5 C25 C26 C22 1.9(4) . .
C23 C22 C26 C25 0.8(4) . .
C21 C22 C26 C25 -176.8(2) . .
C16 C15 N1 C19 -1.7(4) . .
C16 C15 N1 Co1 166.2(2) . .
C18 C19 N1 C15 2.5(4) . .
C18 C19 N1 Co1 -164.7(2) . .
O5 Co1 N1 C15 -60.8(2) . .
O5 Co1 N1 C15 119.2(2) 2_565 .
O1 Co1 N1 C15 27.1(2) . .
O1 Co1 N1 C15 -152.9(2) 2_565 .
N1 Co1 N1 C15 111(100) 2_565 .
O5 Co1 N1 C19 106.3(2) . .
O5 Co1 N1 C19 -73.7(2) 2_565 .
O1 Co1 N1 C19 -165.9(2) . .
O1 Co1 N1 C19 14.1(2) 2_565 .
N1 Co1 N1 C19 -82(100) 2_565 .
N4 C20 N2 N3 -1.0(3) . .
C17 C20 N2 N3 176.3(2) . .
N4 C21 N3 N2 -0.7(3) . .
C22 C21 N3 N2 -178.5(2) . .
C20 N2 N3 C21 1.0(3) . .
N2 C20 N4 C21 0.6(3) . .
C17 C20 N4 C21 -176.9(2) . .
N3 C21 N4 C20 0.1(3) . .
C22 C21 N4 C20 178.0(2) . .
C26 C25 N5 C24 -2.6(4) . .
C26 C25 N5 Co2 172.7(2) . 1_665
C23 C24 N5 C25 0.5(4) . .
C23 C24 N5 Co2 -174.7(2) . 1_665
O2 C1 O1 Co1 -12.3(3) . .
C2 C1 O1 Co1 164.38(15) . .
O5 Co1 O1 C1 -166.00(19) . .
O5 Co1 O1 C1 14.00(19) 2_565 .
O1 Co1 O1 C1 -51(100) 2_565 .
N1 Co1 O1 C1 109.14(19) . .
N1 Co1 O1 C1 -70.86(19) 2_565 .
O4 C14 O3 Co2 1.9(3) . .
C13 C14 O3 Co2 -175.73(14) . .
O6 Co2 O3 C14 -10.5(2) . .
O6 Co2 O3 C14 169.5(2) 2_566 .
O3 Co2 O3 C14 -176(100) 2_566 .
N5 Co2 O3 C14 82.1(2) 2_676 .
N5 Co2 O3 C14 -97.9(2) 1_445 .
C28 C27 O5 Co1 -177.7(2) . .
O5 Co1 O5 C27 -56(100) 2_565 .
O1 Co1 O5 C27 59.8(2) . .
O1 Co1 O5 C27 -120.2(2) 2_565 .
N1 Co1 O5 C27 152.0(3) . .
N1 Co1 O5 C27 -28.0(3) 2_565 .
