#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:49:30 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179598 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/62/4506239.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_4506239
loop_
_publ_author_name
'Lama, Prem'
'Mrozinski, Jerzy'
'Bharadwaj, Parimal K.'
_publ_section_title
;
 Co(II) Coordination Polymers with Co-Ligand Dependent Dinuclear to
 Tetranuclear Core: Spin-Canting, Weak Ferromagnetic, and
 Antiferromagnetic Behavior
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3158
_journal_paper_doi               10.1021/cg300330p
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C50 H30 Co3 N4 O14'
_chemical_formula_sum            'C50 H30 Co3 N4 O14'
_chemical_formula_weight         1087.57
_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                92.076(5)
_cell_angle_beta                 94.575(4)
_cell_angle_gamma                115.448(6)
_cell_formula_units_Z            1
_cell_length_a                   10.140(2)
_cell_length_b                   10.148(4)
_cell_length_c                   11.369(5)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      2.23
_cell_volume                     1049.8(7)
_computing_cell_refinement       'SAINT 6.45 ( Bruker, 2003)'
_computing_data_collection       'SMART 5.628 (Bruker, 2003)'
_computing_data_reduction        'SAINT 6.45 ( Bruker, 2003)'
_computing_molecular_graphics    'DIAMOND 2.1e'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'BRUKER SMART APEX'
_diffrn_measurement_method       /w-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  0.0230
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5601
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    1.253
_exptl_absorpt_correction_T_max  0.8441
_exptl_absorpt_correction_T_min  0.7530
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             551
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.676
_refine_diff_density_min         -0.434
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         3805
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0382
_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)+(0.0518P)²+0.8873P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0974
_refine_ls_wR_factor_ref         0.1020
_reflns_number_gt                3363
_reflns_number_total             3805
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300330p_si_002.cif
_cod_data_source_block           Complex2
_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.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4506239
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 0.5000 0.01217(15) Uani 1 2 d S
Co2 Co -0.16553(4) 0.71791(4) 0.36003(3) 0.01075(13) Uani 1 1 d .
O1 O 0.14611(19) 0.6978(2) 0.47346(17) 0.0166(4) Uani 1 1 d .
O2 O 0.06059(19) 0.8336(2) 0.36944(16) 0.0127(4) Uani 1 1 d .
O3 O 0.60271(19) 0.6839(2) 0.34640(16) 0.0134(4) Uani 1 1 d .
O4 O 0.78878(19) 0.9027(2) 0.35040(17) 0.0144(4) Uani 1 1 d .
O5 O 0.5484(2) 1.2434(2) 0.27467(17) 0.0158(4) Uani 1 1 d .
O6 O 0.8220(2) 1.5085(2) 0.36944(16) 0.0137(4) Uani 1 1 d .
O7 O 0.9761(2) 1.4228(2) 0.31765(17) 0.0174(4) Uani 1 1 d .
N1 N -0.1659(2) 0.7159(2) 0.1700(2) 0.0135(5) Uani 1 1 d .
N2 N -0.1759(2) 0.7180(2) -0.45603(19) 0.0119(5) Uani 1 1 d .
C1 C 0.1609(3) 0.7996(3) 0.4080(2) 0.0119(5) Uani 1 1 d .
C2 C 0.3133(3) 0.8853(3) 0.3736(2) 0.0124(5) Uani 1 1 d .
C3 C 0.4084(3) 0.8188(3) 0.3778(2) 0.0120(5) Uani 1 1 d .
H3 H 0.3764 0.7223 0.4022 0.014 Uiso 1 1 calc R
C4 C 0.5499(3) 0.8933(3) 0.3462(2) 0.0127(5) Uani 1 1 d .
C5 C 0.6524(3) 0.8221(3) 0.3487(2) 0.0123(5) Uani 1 1 d .
C6 C 0.5985(3) 1.0358(3) 0.3119(2) 0.0131(5) Uani 1 1 d .
H6 H 0.6962 1.0885 0.2927 0.016 Uiso 1 1 calc R
C7 C 0.5016(3) 1.0990(3) 0.3062(2) 0.0133(5) Uani 1 1 d .
C8 C 0.3592(3) 1.0260(3) 0.3356(2) 0.0134(6) Uani 1 1 d .
H8 H 0.2941 1.0710 0.3301 0.016 Uiso 1 1 calc R
C9 C 0.6205(3) 1.2719(3) 0.1725(2) 0.0142(6) Uani 1 1 d .
C10 C 0.5431(3) 1.2018(3) 0.0650(3) 0.0204(6) Uani 1 1 d .
H10 H 0.4430 1.1330 0.0621 0.024 Uiso 1 1 calc R
C11 C 0.6109(3) 1.2314(3) -0.0379(3) 0.0219(6) Uani 1 1 d .
H11 H 0.5569 1.1854 -0.1118 0.026 Uiso 1 1 calc R
C12 C 0.7590(3) 1.3293(3) -0.0328(3) 0.0213(6) Uani 1 1 d .
H12 H 0.8058 1.3515 -0.1034 0.026 Uiso 1 1 calc R
C13 C 0.8374(3) 1.3941(3) 0.0756(3) 0.0171(6) Uani 1 1 d .
H13 H 0.9394 1.4571 0.0792 0.021 Uiso 1 1 calc R
C14 C 0.7686(3) 1.3682(3) 0.1798(2) 0.0137(6) Uani 1 1 d .
C15 C 0.8609(3) 1.4377(3) 0.2949(2) 0.0133(6) Uani 1 1 d .
C16 C -0.0434(3) 0.7842(3) 0.1156(2) 0.0165(6) Uani 1 1 d .
H16 H 0.0482 0.8310 0.1632 0.020 Uiso 1 1 calc R
C17 C -0.0441(3) 0.7897(3) -0.0054(2) 0.0176(6) Uani 1 1 d .
H17 H 0.0455 0.8403 -0.0389 0.021 Uiso 1 1 calc R
C18 C -0.1759(3) 0.7212(3) -0.0791(2) 0.0150(6) Uani 1 1 d .
C19 C -0.3025(3) 0.6525(3) -0.0232(2) 0.0169(6) Uani 1 1 d .
H19 H -0.3955 0.6050 -0.0688 0.020 Uiso 1 1 calc R
C20 C -0.2930(3) 0.6532(3) 0.0991(2) 0.0167(6) Uani 1 1 d .
H20 H -0.3815 0.6067 0.1350 0.020 Uiso 1 1 calc R
C21 C -0.1789(3) 0.7215(3) -0.2097(2) 0.0135(6) Uani 1 1 d .
C22 C -0.0707(3) 0.8341(3) -0.2622(2) 0.0145(6) Uani 1 1 d .
H22 H 0.0042 0.9144 -0.2148 0.017 Uiso 1 1 calc R
C23 C -0.0739(3) 0.8275(3) -0.3844(2) 0.0144(6) Uani 1 1 d .
H23 H 0.0005 0.9050 -0.4190 0.017 Uiso 1 1 calc R
C24 C -0.2830(3) 0.6099(3) -0.4057(2) 0.0148(6) Uani 1 1 d .
H24 H -0.3577 0.5323 -0.4555 0.018 Uiso 1 1 calc R
C25 C -0.2881(3) 0.6078(3) -0.2842(2) 0.0150(6) Uani 1 1 d .
H25 H -0.3649 0.5300 -0.2519 0.018 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
O1 Co1 O1 180.0 . 2_566
O1 Co1 O7 92.94(8) . 1_445
O1 Co1 O7 87.06(8) 2_566 1_445
O1 Co1 O7 87.06(8) . 2_676
O1 Co1 O7 92.94(8) 2_566 2_676
O7 Co1 O7 180.000(1) 1_445 2_676
O1 Co1 O6 93.98(7) . 1_445
O1 Co1 O6 86.02(7) 2_566 1_445
O7 Co1 O6 59.42(7) 1_445 1_445
O7 Co1 O6 120.58(7) 2_676 1_445
O1 Co1 O6 86.02(7) . 2_676
O1 Co1 O6 93.98(7) 2_566 2_676
O7 Co1 O6 120.58(7) 1_445 2_676
O7 Co1 O6 59.42(7) 2_676 2_676
O6 Co1 O6 180.0 1_445 2_676
O2 Co2 O6 98.41(7) . 1_445
O2 Co2 N2 95.72(8) . 1_556
O6 Co2 N2 85.76(8) 1_445 1_556
O2 Co2 O4 96.08(8) . 1_455
O6 Co2 O4 165.48(7) 1_445 1_455
N2 Co2 O4 92.06(8) 1_556 1_455
O2 Co2 N1 86.86(8) . .
O6 Co2 N1 94.86(8) 1_445 .
N2 Co2 N1 177.24(8) 1_556 .
O4 Co2 N1 86.66(8) 1_455 .
O2 Co2 O3 157.23(7) . 1_455
O6 Co2 O3 104.36(7) 1_445 1_455
N2 Co2 O3 86.01(7) 1_556 1_455
O4 Co2 O3 61.14(7) 1_455 1_455
N1 Co2 O3 91.22(8) . 1_455
O2 Co2 C5 126.66(9) . 1_455
O6 Co2 C5 134.89(8) 1_445 1_455
N2 Co2 C5 87.82(8) 1_556 1_455
O4 Co2 C5 30.60(8) 1_455 1_455
N1 Co2 C5 89.84(8) . 1_455
O3 Co2 C5 30.58(8) 1_455 1_455
C1 O1 Co1 139.71(17) . .
C1 O2 Co2 130.54(17) . .
C5 O3 Co2 86.71(15) . 1_655
C5 O4 Co2 90.97(16) . 1_655
C9 O5 C7 114.1(2) . .
C15 O6 Co2 127.74(17) . 1_665
C15 O6 Co1 86.10(16) . 1_665
Co2 O6 Co1 113.26(8) 1_665 1_665
C15 O7 Co1 92.80(16) . 1_665
C20 N1 C16 116.2(2) . .
C20 N1 Co2 120.48(18) . .
C16 N1 Co2 123.22(18) . .
C23 N2 C24 117.6(2) . .
C23 N2 Co2 119.81(18) . 1_554
C24 N2 Co2 122.55(18) . 1_554
O1 C1 O2 125.9(2) . .
O1 C1 C2 115.4(2) . .
O2 C1 C2 118.7(2) . .
C3 C2 C8 120.1(2) . .
C3 C2 C1 118.0(2) . .
C8 C2 C1 121.9(2) . .
C4 C3 C2 120.1(2) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C6 120.3(2) . .
C3 C4 C5 120.6(2) . .
C6 C4 C5 119.1(2) . .
O4 C5 O3 121.0(2) . .
O4 C5 C4 118.5(2) . .
O3 C5 C4 120.4(2) . .
O4 C5 Co2 58.43(14) . 1_655
O3 C5 Co2 62.71(14) . 1_655
C4 C5 Co2 176.40(19) . 1_655
C7 C6 C4 118.7(2) . .
C7 C6 H6 120.6 . .
C4 C6 H6 120.6 . .
C6 C7 C8 122.0(2) . .
C6 C7 O5 120.0(2) . .
C8 C7 O5 118.0(2) . .
C7 C8 C2 118.8(2) . .
C7 C8 H8 120.6 . .
C2 C8 H8 120.6 . .
C10 C9 C14 120.9(3) . .
C10 C9 O5 119.2(2) . .
C14 C9 O5 119.8(2) . .
C11 C10 C9 120.3(3) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C10 C11 C12 119.7(3) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C13 C12 C11 119.7(3) . .
C13 C12 H12 120.1 . .
C11 C12 H12 120.1 . .
C12 C13 C14 121.0(3) . .
C12 C13 H13 119.5 . .
C14 C13 H13 119.5 . .
C9 C14 C13 118.3(3) . .
C9 C14 C15 123.2(2) . .
C13 C14 C15 118.3(2) . .
O7 C15 O6 120.3(3) . .
O7 C15 C14 118.4(2) . .
O6 C15 C14 121.3(2) . .
N1 C16 C17 123.4(3) . .
N1 C16 H16 118.3 . .
C17 C16 H16 118.3 . .
C16 C17 C18 120.3(3) . .
C16 C17 H17 119.8 . .
C18 C17 H17 119.8 . .
C19 C18 C17 116.3(3) . .
C19 C18 C21 122.4(3) . .
C17 C18 C21 121.3(2) . .
C20 C19 C18 119.9(3) . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
N1 C20 C19 123.8(3) . .
N1 C20 H20 118.1 . .
C19 C20 H20 118.1 . .
C22 C21 C25 117.8(2) . .
C22 C21 C18 120.9(2) . .
C25 C21 C18 121.3(2) . .
C23 C22 C21 119.2(3) . .
C23 C22 H22 120.4 . .
C21 C22 H22 120.4 . .
N2 C23 C22 123.4(2) . .
N2 C23 H23 118.3 . .
C22 C23 H23 118.3 . .
N2 C24 C25 122.7(3) . .
N2 C24 H24 118.7 . .
C25 C24 H24 118.7 . .
C24 C25 C21 119.3(2) . .
C24 C25 H25 120.4 . .
C21 C25 H25 120.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.968(2) .
Co1 O1 1.968(2) 2_566
Co1 O7 2.147(2) 1_445
Co1 O7 2.147(2) 2_676
Co1 O6 2.277(2) 1_445
Co1 O6 2.277(2) 2_676
Co2 O2 2.070(2) .
Co2 O6 2.081(2) 1_445
Co2 N2 2.102(2) 1_556
Co2 O4 2.121(2) 1_455
Co2 N1 2.160(2) .
Co2 O3 2.215(2) 1_455
Co2 C5 2.489(3) 1_455
O1 C1 1.259(3) .
O2 C1 1.259(3) .
O3 C5 1.268(3) .
O3 Co2 2.215(2) 1_655
O4 C5 1.267(3) .
O4 Co2 2.121(2) 1_655
O5 C9 1.395(3) .
O5 C7 1.403(3) .
O6 C15 1.282(3) .
O6 Co2 2.081(2) 1_665
O6 Co1 2.277(2) 1_665
O7 C15 1.249(3) .
O7 Co1 2.147(2) 1_665
N1 C20 1.344(4) .
N1 C16 1.349(3) .
N2 C23 1.334(4) .
N2 C24 1.353(3) .
N2 Co2 2.102(2) 1_554
C1 C2 1.505(3) .
C2 C3 1.394(4) .
C2 C8 1.396(4) .
C3 C4 1.388(4) .
C3 H3 0.9500 .
C4 C6 1.396(4) .
C4 C5 1.498(4) .
C5 Co2 2.489(3) 1_655
C6 C7 1.384(4) .
C6 H6 0.9500 .
C7 C8 1.386(4) .
C8 H8 0.9500 .
C9 C10 1.385(4) .
C9 C14 1.390(4) .
C10 C11 1.381(4) .
C10 H10 0.9500 .
C11 C12 1.395(4) .
C11 H11 0.9500 .
C12 C13 1.385(4) .
C12 H12 0.9500 .
C13 C14 1.399(4) .
C13 H13 0.9500 .
C14 C15 1.502(4) .
C16 C17 1.379(4) .
C16 H16 0.9500 .
C17 C18 1.397(4) .
C17 H17 0.9500 .
C18 C19 1.390(4) .
C18 C21 1.482(4) .
C19 C20 1.386(4) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.393(4) .
C21 C25 1.399(4) .
C22 C23 1.386(4) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C24 C25 1.387(4) .
C24 H24 0.9500 .
C25 H25 0.9500 .
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
O7 Co1 O1 C1 53.9(3) 1_445
O7 Co1 O1 C1 -126.1(3) 2_676
O6 Co1 O1 C1 -5.6(3) 1_445
O6 Co1 O1 C1 174.4(3) 2_676
O6 Co2 O2 C1 -20.9(2) 1_445
N2 Co2 O2 C1 65.6(2) 1_556
O4 Co2 O2 C1 158.3(2) 1_455
N1 Co2 O2 C1 -115.4(2) .
O3 Co2 O2 C1 159.0(2) 1_455
C5 Co2 O2 C1 157.2(2) 1_455
O2 Co2 N1 C20 -178.5(2) .
O6 Co2 N1 C20 83.3(2) 1_445
O4 Co2 N1 C20 -82.3(2) 1_455
O3 Co2 N1 C20 -21.3(2) 1_455
C5 Co2 N1 C20 -51.8(2) 1_455
O2 Co2 N1 C16 -3.2(2) .
O6 Co2 N1 C16 -101.4(2) 1_445
O4 Co2 N1 C16 93.1(2) 1_455
O3 Co2 N1 C16 154.1(2) 1_455
C5 Co2 N1 C16 123.6(2) 1_455
Co1 O1 C1 O2 34.4(5) .
Co1 O1 C1 C2 -145.1(2) .
Co2 O2 C1 O1 -16.4(4) .
Co2 O2 C1 C2 163.07(17) .
O1 C1 C2 C3 22.6(4) .
O2 C1 C2 C3 -156.9(2) .
O1 C1 C2 C8 -158.9(2) .
O2 C1 C2 C8 21.6(4) .
C8 C2 C3 C4 1.2(4) .
C1 C2 C3 C4 179.7(2) .
C2 C3 C4 C6 0.9(4) .
C2 C3 C4 C5 -179.1(2) .
Co2 O4 C5 O3 -3.8(2) 1_655
Co2 O4 C5 C4 177.8(2) 1_655
Co2 O3 C5 O4 3.6(2) 1_655
Co2 O3 C5 C4 -178.0(2) 1_655
C3 C4 C5 O4 -161.6(2) .
C6 C4 C5 O4 18.4(4) .
C3 C4 C5 O3 20.0(4) .
C6 C4 C5 O3 -160.1(2) .
C3 C4 C6 C7 -2.1(4) .
C5 C4 C6 C7 177.9(2) .
C4 C6 C7 C8 1.2(4) .
C4 C6 C7 O5 178.5(2) .
C9 O5 C7 C6 49.6(3) .
C9 O5 C7 C8 -133.0(3) .
C6 C7 C8 C2 0.9(4) .
O5 C7 C8 C2 -176.5(2) .
C3 C2 C8 C7 -2.0(4) .
C1 C2 C8 C7 179.5(2) .
C7 O5 C9 C10 65.4(3) .
C7 O5 C9 C14 -113.8(3) .
C14 C9 C10 C11 -2.8(4) .
O5 C9 C10 C11 178.1(2) .
C9 C10 C11 C12 1.8(4) .
C10 C11 C12 C13 1.1(4) .
C11 C12 C13 C14 -3.0(4) .
C10 C9 C14 C13 0.8(4) .
O5 C9 C14 C13 180.0(2) .
C10 C9 C14 C15 -174.9(3) .
O5 C9 C14 C15 4.3(4) .
C12 C13 C14 C9 2.1(4) .
C12 C13 C14 C15 178.0(3) .
Co1 O7 C15 O6 12.0(2) 1_665
Co1 O7 C15 C14 -166.8(2) 1_665
Co2 O6 C15 O7 105.3(3) 1_665
Co1 O6 C15 O7 -11.3(2) 1_665
Co2 O6 C15 C14 -76.0(3) 1_665
Co1 O6 C15 C14 167.4(2) 1_665
C9 C14 C15 O7 125.2(3) .
C13 C14 C15 O7 -50.5(3) .
C9 C14 C15 O6 -53.5(4) .
C13 C14 C15 O6 130.8(3) .
C20 N1 C16 C17 -0.9(4) .
Co2 N1 C16 C17 -176.5(2) .
N1 C16 C17 C18 -0.7(4) .
C16 C17 C18 C19 1.4(4) .
C16 C17 C18 C21 -178.0(3) .
C17 C18 C19 C20 -0.7(4) .
C21 C18 C19 C20 178.8(3) .
C16 N1 C20 C19 1.8(4) .
Co2 N1 C20 C19 177.5(2) .
C18 C19 C20 N1 -1.0(4) .
C19 C18 C21 C22 153.1(3) .
C17 C18 C21 C22 -27.5(4) .
C19 C18 C21 C25 -28.3(4) .
C17 C18 C21 C25 151.1(3) .
C25 C21 C22 C23 -1.3(4) .
C18 C21 C22 C23 177.4(2) .
C24 N2 C23 C22 1.4(4) .
Co2 N2 C23 C22 -178.4(2) 1_554
C21 C22 C23 N2 0.0(4) .
C23 N2 C24 C25 -1.5(4) .
Co2 N2 C24 C25 178.4(2) 1_554
N2 C24 C25 C21 0.1(4) .
C22 C21 C25 C24 1.2(4) .
C18 C21 C25 C24 -177.4(2) .
