#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:54:37 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179603 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/67/4506793.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_4506793
loop_
_publ_author_name
'Chang, Xin-Hong'
'Qin, Jian-Hua'
'Ma, Lu-Fang'
'Wang, Jian-Ge'
'Wang, Li-Ya'
_publ_section_title
;
 Two- and Three-Dimensional Divalent Metal Coordination Polymers
 Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4649
_journal_paper_doi               10.1021/cg3008602
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C27 H20 Co N2 O7'
_chemical_formula_weight         543.38
_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                119.497(2)
_cell_angle_beta                 97.858(3)
_cell_angle_gamma                103.503(3)
_cell_formula_units_Z            2
_cell_length_a                   9.909(4)
_cell_length_b                   11.997(2)
_cell_length_c                   12.106(2)
_cell_measurement_reflns_used    1482
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.68
_cell_measurement_theta_min      2.45
_cell_volume                     1162.9(5)
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0704
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8903
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.45
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.9683
_exptl_absorpt_correction_T_min  0.8341
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             558
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.574
_refine_diff_density_min         -0.687
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4299
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0611
_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)+(0.0922P)²+1.1025P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1615
_refine_ls_wR_factor_ref         0.1845
_reflns_number_gt                2914
_reflns_number_total             4299
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg3008602_si_004.cif
_cod_data_source_block           a
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1162.8(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4506793
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 0.40361(7) 0.05943(6) 0.38920(7) 0.0329(2) Uani 1 1 d .
O1 O 0.5263(4) -0.0564(4) 0.3036(4) 0.0426(9) Uani 1 1 d .
O2 O 0.5508(4) -0.1587(3) 0.4121(3) 0.0420(9) Uani 1 1 d .
O3 O 0.5907(7) -0.6214(6) 0.1307(6) 0.109(2) Uani 1 1 d .
H3 H 0.5943 -0.6965 0.1102 0.163 Uiso 1 1 calc R
O4 O 0.7583(9) -0.6319(7) 0.0236(7) 0.132(3) Uani 1 1 d .
O5 O 0.6819(4) -0.0358(4) -0.2034(4) 0.0481(9) Uani 1 1 d .
O6 O 0.7729(4) -0.1412(4) -0.3625(4) 0.0517(10) Uani 1 1 d .
O7 O 0.4264(8) 0.8901(6) -0.0008(7) 0.130(2) Uani 1 1 d .
H1W H 0.4120 0.9606 0.0054 0.196 Uiso 1 1 d R
H2W H 0.4407 0.9020 0.0769 0.196 Uiso 1 1 d R
N1 N 0.5714(5) 0.2372(4) 0.4272(4) 0.0390(10) Uani 1 1 d .
N2 N 1.2316(4) 0.8920(4) 0.3642(4) 0.0384(10) Uani 1 1 d .
C1 C 0.5647(5) -0.1420(5) 0.3199(5) 0.0360(12) Uani 1 1 d .
C2 C 0.6302(5) -0.2293(5) 0.2216(5) 0.0354(11) Uani 1 1 d .
C3 C 0.6985(6) -0.1875(5) 0.1481(5) 0.0396(12) Uani 1 1 d .
H3A H 0.6998 -0.1055 0.1574 0.048 Uiso 1 1 calc R
C4 C 0.7646(6) -0.2663(5) 0.0613(5) 0.0398(12) Uani 1 1 d .
C5 C 0.7594(6) -0.3895(6) 0.0468(5) 0.0472(14) Uani 1 1 d .
H5 H 0.8050 -0.4423 -0.0097 0.057 Uiso 1 1 calc R
C6 C 0.6880(6) -0.4346(5) 0.1144(5) 0.0444(13) Uani 1 1 d .
C7 C 0.6271(6) -0.3538(5) 0.2040(5) 0.0415(13) Uani 1 1 d .
H7 H 0.5835 -0.3826 0.2532 0.050 Uiso 1 1 calc R
C8 C 0.6818(8) -0.5676(8) 0.0862(7) 0.0682(19) Uani 1 1 d .
C9 C 0.8390(6) -0.2234(5) -0.0177(5) 0.0393(12) Uani 1 1 d .
C10 C 0.9757(6) -0.2298(6) -0.0240(6) 0.0482(14) Uani 1 1 d .
H10 H 1.0225 -0.2577 0.0247 0.058 Uiso 1 1 calc R
C11 C 1.0442(6) -0.1959(6) -0.1008(6) 0.0503(14) Uani 1 1 d .
H11 H 1.1365 -0.2000 -0.1029 0.060 Uiso 1 1 calc R
C12 C 0.9752(6) -0.1560(6) -0.1744(5) 0.0478(14) Uani 1 1 d .
H12 H 1.0192 -0.1369 -0.2292 0.057 Uiso 1 1 calc R
C13 C 0.8401(6) -0.1442(5) -0.1671(5) 0.0398(12) Uani 1 1 d .
C14 C 0.7731(6) -0.1765(5) -0.0879(5) 0.0398(12) Uani 1 1 d .
H14 H 0.6835 -0.1669 -0.0815 0.048 Uiso 1 1 calc R
C15 C 0.7610(6) -0.1035(5) -0.2490(5) 0.0402(12) Uani 1 1 d .
C16 C 0.6572(7) 0.2220(6) 0.3497(6) 0.0574(18) Uani 1 1 d .
H16 H 0.6533 0.1339 0.2893 0.069 Uiso 1 1 calc R
C17 C 0.7513(7) 0.3285(6) 0.3536(7) 0.0645(19) Uani 1 1 d .
H17 H 0.8082 0.3107 0.2962 0.077 Uiso 1 1 calc R
C18 C 0.7630(5) 0.4628(5) 0.4420(5) 0.0390(12) Uani 1 1 d .
C19 C 0.6779(7) 0.4780(6) 0.5263(6) 0.0591(18) Uani 1 1 d .
H19 H 0.6819 0.5649 0.5900 0.071 Uiso 1 1 calc R
C20 C 0.5870(7) 0.3648(6) 0.5163(6) 0.0616(19) Uani 1 1 d .
H20 H 0.5332 0.3792 0.5763 0.074 Uiso 1 1 calc R
C21 C 0.8556(5) 0.5793(5) 0.4472(5) 0.0409(12) Uani 1 1 d .
H21 H 0.8534 0.6650 0.5072 0.049 Uiso 1 1 calc R
C22 C 0.9440(6) 0.5722(5) 0.3717(5) 0.0432(13) Uani 1 1 d .
H22 H 0.9464 0.4858 0.3142 0.052 Uiso 1 1 calc R
C23 C 1.0360(6) 0.6827(5) 0.3689(5) 0.0387(12) Uani 1 1 d .
C24 C 1.1192(6) 0.6571(5) 0.2810(5) 0.0444(13) Uani 1 1 d .
H24 H 1.1111 0.5675 0.2210 0.053 Uiso 1 1 calc R
C25 C 1.2121(6) 0.7606(5) 0.2810(5) 0.0431(13) Uani 1 1 d .
H25 H 1.2645 0.7384 0.2198 0.052 Uiso 1 1 calc R
C26 C 1.1475(5) 0.9178(5) 0.4462(5) 0.0400(12) Uani 1 1 d .
H26 H 1.1552 1.0082 0.5024 0.048 Uiso 1 1 calc R
C27 C 1.0519(6) 0.8203(5) 0.4524(5) 0.0417(13) Uani 1 1 d .
H27 H 0.9975 0.8449 0.5118 0.050 Uiso 1 1 calc R
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
O2 Co1 O1 117.06(15) 2_656 .
O2 Co1 O5 151.67(15) 2_656 2_655
O1 Co1 O5 89.08(15) . 2_655
O2 Co1 N1 85.51(15) 2_656 .
O1 Co1 N1 89.01(15) . .
O5 Co1 N1 84.14(15) 2_655 .
O2 Co1 N2 90.91(15) 2_656 1_445
O1 Co1 N2 94.82(15) . 1_445
O5 Co1 N2 97.95(15) 2_655 1_445
N1 Co1 N2 175.65(16) . 1_445
O2 Co1 O6 94.96(14) 2_656 2_655
O1 Co1 O6 147.94(15) . 2_655
O5 Co1 O6 59.22(14) 2_655 2_655
N1 Co1 O6 92.06(16) . 2_655
N2 Co1 O6 85.79(15) 1_445 2_655
O2 Co1 C15 123.32(17) 2_656 2_655
O1 Co1 C15 118.67(17) . 2_655
O5 Co1 C15 29.60(15) 2_655 2_655
N1 Co1 C15 85.88(16) . 2_655
N2 Co1 C15 94.05(16) 1_445 2_655
O6 Co1 C15 29.74(15) 2_655 2_655
C1 O1 Co1 131.9(3) . .
C1 O2 Co1 143.0(3) . 2_656
C8 O3 H3 109.5 . .
C15 O5 Co1 92.1(3) . 2_655
C15 O6 Co1 86.9(3) . 2_655
H1W O7 H2W 108.3 . .
C20 N1 C16 115.7(4) . .
C20 N1 Co1 124.2(4) . .
C16 N1 Co1 119.8(3) . .
C25 N2 C26 115.8(4) . .
C25 N2 Co1 123.8(3) . 1_665
C26 N2 Co1 119.9(3) . 1_665
O2 C1 O1 124.3(5) . .
O2 C1 C2 118.0(5) . .
O1 C1 C2 117.7(4) . .
C7 C2 C3 118.4(5) . .
C7 C2 C1 120.1(4) . .
C3 C2 C1 121.4(4) . .
C4 C3 C2 121.1(5) . .
C4 C3 H3A 119.5 . .
C2 C3 H3A 119.5 . .
C5 C4 C3 118.8(5) . .
C5 C4 C9 119.3(5) . .
C3 C4 C9 122.0(5) . .
C6 C5 C4 120.9(5) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
C5 C6 C7 120.1(5) . .
C5 C6 C8 116.5(5) . .
C7 C6 C8 123.5(5) . .
C6 C7 C2 120.6(5) . .
C6 C7 H7 119.7 . .
C2 C7 H7 119.7 . .
O4 C8 O3 119.9(7) . .
O4 C8 C6 124.0(7) . .
O3 C8 C6 116.1(6) . .
C10 C9 C14 118.2(5) . .
C10 C9 C4 120.5(5) . .
C14 C9 C4 121.3(5) . .
C11 C10 C9 121.5(5) . .
C11 C10 H10 119.2 . .
C9 C10 H10 119.2 . .
C12 C11 C10 119.7(5) . .
C12 C11 H11 120.2 . .
C10 C11 H11 120.2 . .
C11 C12 C13 120.3(5) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
C12 C13 C14 119.6(5) . .
C12 C13 C15 121.2(5) . .
C14 C13 C15 119.1(5) . .
C13 C14 C9 120.7(5) . .
C13 C14 H14 119.7 . .
C9 C14 H14 119.7 . .
O5 C15 O6 121.2(5) . .
O5 C15 C13 119.2(5) . .
O6 C15 C13 119.5(5) . .
O5 C15 Co1 58.3(3) . 2_655
O6 C15 Co1 63.3(3) . 2_655
C13 C15 Co1 171.8(4) . 2_655
N1 C16 C17 123.8(5) . .
N1 C16 H16 118.1 . .
C17 C16 H16 118.1 . .
C16 C17 C18 121.1(5) . .
C16 C17 H17 119.5 . .
C18 C17 H17 119.5 . .
C19 C18 C17 114.7(5) . .
C19 C18 C21 121.6(5) . .
C17 C18 C21 123.8(5) . .
C18 C19 C20 120.4(5) . .
C18 C19 H19 119.8 . .
C20 C19 H19 119.8 . .
N1 C20 C19 124.3(5) . .
N1 C20 H20 117.9 . .
C19 C20 H20 117.9 . .
C22 C21 C18 124.6(5) . .
C22 C21 H21 117.7 . .
C18 C21 H21 117.7 . .
C21 C22 C23 127.7(5) . .
C21 C22 H22 116.2 . .
C23 C22 H22 116.2 . .
C24 C23 C27 115.3(4) . .
C24 C23 C22 120.4(5) . .
C27 C23 C22 124.3(5) . .
C25 C24 C23 121.4(5) . .
C25 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
N2 C25 C24 123.3(5) . .
N2 C25 H25 118.3 . .
C24 C25 H25 118.3 . .
N2 C26 C27 124.4(5) . .
N2 C26 H26 117.8 . .
C27 C26 H26 117.8 . .
C26 C27 C23 119.6(5) . .
C26 C27 H27 120.2 . .
C23 C27 H27 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2 2.009(3) 2_656
Co1 O1 2.050(3) .
Co1 O5 2.144(4) 2_655
Co1 N1 2.167(4) .
Co1 N2 2.167(4) 1_445
Co1 O6 2.255(4) 2_655
Co1 C15 2.520(5) 2_655
O1 C1 1.264(6) .
O2 C1 1.247(6) .
O2 Co1 2.009(3) 2_656
O3 C8 1.313(8) .
O3 H3 0.8200 .
O4 C8 1.264(9) .
O5 C15 1.245(6) .
O5 Co1 2.144(4) 2_655
O6 C15 1.252(6) .
O6 Co1 2.255(4) 2_655
O7 H1W 0.8591 .
O7 H2W 0.8640 .
N1 C20 1.322(7) .
N1 C16 1.326(6) .
N2 C25 1.333(6) .
N2 C26 1.349(6) .
N2 Co1 2.167(4) 1_665
C1 C2 1.495(7) .
C2 C7 1.394(7) .
C2 C3 1.395(7) .
C3 C4 1.387(7) .
C3 H3A 0.9300 .
C4 C5 1.386(7) .
C4 C9 1.492(7) .
C5 C6 1.371(7) .
C5 H5 0.9300 .
C6 C7 1.377(7) .
C6 C8 1.442(9) .
C7 H7 0.9300 .
C9 C10 1.385(7) .
C9 C14 1.398(7) .
C10 C11 1.382(7) .
C10 H10 0.9300 .
C11 C12 1.377(8) .
C11 H11 0.9300 .
C12 C13 1.389(7) .
C12 H12 0.9300 .
C13 C14 1.390(7) .
C13 C15 1.510(7) .
C14 H14 0.9300 .
C15 Co1 2.520(5) 2_655
C16 C17 1.369(7) .
C16 H16 0.9300 .
C17 C18 1.392(7) .
C17 H17 0.9300 .
C18 C19 1.381(7) .
C18 C21 1.449(6) .
C19 C20 1.382(7) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.337(7) .
C21 H21 0.9300 .
C22 C23 1.442(6) .
C22 H22 0.9300 .
C23 C24 1.393(7) .
C23 C27 1.401(7) .
C24 C25 1.361(7) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C27 1.363(7) .
C26 H26 0.9300 .
C27 H27 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O7 H2W O5 0.86 2.32 2.768(7) 112.2 2_665
O3 H3 O7 0.82 1.97 2.752(8) 160.4 2_655
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
O2 Co1 O1 C1 46.4(5) 2_656 .
O5 Co1 O1 C1 -145.0(5) 2_655 .
N1 Co1 O1 C1 130.8(5) . .
N2 Co1 O1 C1 -47.1(5) 1_445 .
O6 Co1 O1 C1 -136.9(4) 2_655 .
C15 Co1 O1 C1 -144.4(4) 2_655 .
O2 Co1 N1 C20 -42.9(5) 2_656 .
O1 Co1 N1 C20 -160.1(5) . .
O5 Co1 N1 C20 110.7(5) 2_655 .
N2 Co1 N1 C20 -8(2) 1_445 .
O6 Co1 N1 C20 51.9(5) 2_655 .
C15 Co1 N1 C20 81.0(5) 2_655 .
O2 Co1 N1 C16 144.0(5) 2_656 .
O1 Co1 N1 C16 26.8(5) . .
O5 Co1 N1 C16 -62.4(5) 2_655 .
N2 Co1 N1 C16 179(96) 1_445 .
O6 Co1 N1 C16 -121.2(5) 2_655 .
C15 Co1 N1 C16 -92.1(5) 2_655 .
Co1 O2 C1 O1 -53.3(9) 2_656 .
Co1 O2 C1 C2 127.1(5) 2_656 .
Co1 O1 C1 O2 -11.5(8) . .
Co1 O1 C1 C2 168.1(3) . .
O2 C1 C2 C7 22.5(7) . .
O1 C1 C2 C7 -157.2(5) . .
O2 C1 C2 C3 -155.9(5) . .
O1 C1 C2 C3 24.5(7) . .
C7 C2 C3 C4 -1.3(8) . .
C1 C2 C3 C4 177.1(5) . .
C2 C3 C4 C5 1.2(8) . .
C2 C3 C4 C9 -179.7(5) . .
C3 C4 C5 C6 1.3(9) . .
C9 C4 C5 C6 -177.8(5) . .
C4 C5 C6 C7 -3.7(9) . .
C4 C5 C6 C8 176.5(6) . .
C5 C6 C7 C2 3.6(8) . .
C8 C6 C7 C2 -176.6(6) . .
C3 C2 C7 C6 -1.1(8) . .
C1 C2 C7 C6 -179.5(5) . .
C5 C6 C8 O4 13.2(11) . .
C7 C6 C8 O4 -166.6(7) . .
C5 C6 C8 O3 -167.3(6) . .
C7 C6 C8 O3 12.9(10) . .
C5 C4 C9 C10 -47.7(8) . .
C3 C4 C9 C10 133.1(6) . .
C5 C4 C9 C14 131.9(6) . .
C3 C4 C9 C14 -47.3(8) . .
C14 C9 C10 C11 -2.3(8) . .
C4 C9 C10 C11 177.3(5) . .
C9 C10 C11 C12 -0.7(9) . .
C10 C11 C12 C13 2.8(9) . .
C11 C12 C13 C14 -1.8(8) . .
C11 C12 C13 C15 -178.7(5) . .
C12 C13 C14 C9 -1.3(8) . .
C15 C13 C14 C9 175.7(5) . .
C10 C9 C14 C13 3.3(8) . .
C4 C9 C14 C13 -176.4(5) . .
Co1 O5 C15 O6 7.2(5) 2_655 .
Co1 O5 C15 C13 -171.0(4) 2_655 .
Co1 O6 C15 O5 -6.8(5) 2_655 .
Co1 O6 C15 C13 171.3(4) 2_655 .
C12 C13 C15 O5 -147.7(5) . .
C14 C13 C15 O5 35.4(7) . .
C12 C13 C15 O6 34.1(7) . .
C14 C13 C15 O6 -142.8(5) . .
C12 C13 C15 Co1 142(3) . 2_655
C14 C13 C15 Co1 -34(3) . 2_655
C20 N1 C16 C17 -3.6(10) . .
Co1 N1 C16 C17 170.1(6) . .
N1 C16 C17 C18 0.3(11) . .
C16 C17 C18 C19 2.5(10) . .
C16 C17 C18 C21 -177.2(6) . .
C17 C18 C19 C20 -1.9(10) . .
C21 C18 C19 C20 177.9(6) . .
C16 N1 C20 C19 4.3(10) . .
Co1 N1 C20 C19 -169.1(5) . .
C18 C19 C20 N1 -1.6(11) . .
C19 C18 C21 C22 177.7(6) . .
C17 C18 C21 C22 -2.6(10) . .
C18 C21 C22 C23 178.3(5) . .
C21 C22 C23 C24 -178.2(6) . .
C21 C22 C23 C27 3.1(10) . .
C27 C23 C24 C25 2.0(8) . .
C22 C23 C24 C25 -176.8(5) . .
C26 N2 C25 C24 -3.2(8) . .
Co1 N2 C25 C24 169.2(4) 1_665 .
C23 C24 C25 N2 0.7(9) . .
C25 N2 C26 C27 3.1(8) . .
Co1 N2 C26 C27 -169.6(4) 1_665 .
N2 C26 C27 C23 -0.5(9) . .
C24 C23 C27 C26 -2.1(8) . .
C22 C23 C27 C26 176.7(5) . .
