#------------------------------------------------------------------------------
#$Date: 2019-11-22 21:42:48 +0200 (Fri, 22 Nov 2019) $
#$Revision: 231371 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/65/4516541.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_4516541
loop_
_publ_author_name
'Banerjee, Kaustuv'
'Roy, Sandipan'
'Kotal, Moumita'
'Biradha, Kumar'
_publ_section_title
;
 Coordination Polymers Containing Tubular, Layered, and Diamondoid
 Networks: Redox, Luminescence, and Electron Paramagnetic Resonance
 Activities
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5604
_journal_paper_doi               10.1021/acs.cgd.5b01329
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'C26 H28 Co N4 O11'
_chemical_formula_weight         631.45
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                110.367(13)
_cell_angle_beta                 102.914(14)
_cell_angle_gamma                108.996(9)
_cell_formula_units_Z            2
_cell_length_a                   10.259(3)
_cell_length_b                   12.726(4)
_cell_length_c                   12.728(6)
_cell_measurement_reflns_used    4940
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      2.27
_cell_volume                     1362.5(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker APEX 2 CCD'
_diffrn_measurement_method       Hemisphere
_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  0.2186
_diffrn_reflns_av_sigmaI/netI    0.3347
_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            12785
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    0.699
_exptl_absorpt_correction_T_max  0.907
_exptl_absorpt_correction_T_min  0.874
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             654
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.700
_refine_diff_density_min         -0.993
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       0.0032(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4940
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.2898
_refine_ls_R_factor_gt           0.0853
_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)+(0.0100P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1199
_refine_ls_wR_factor_ref         0.1416
_reflns_number_gt                1671
_reflns_number_total             4940
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b01329_si_002.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4516541
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 0.72854(11) 0.24981(10) 0.21763(11) 0.0341(4) Uani 1 1 d .
O1A O -0.0482(5) 0.2701(5) 0.2441(6) 0.0423(17) Uani 1 1 d .
O2A O -0.2181(5) 0.1721(4) 0.0580(5) 0.0355(14) Uani 1 1 d .
O3A O 0.4499(6) 0.2513(6) 0.3000(7) 0.064(2) Uani 1 1 d .
O4A O 0.5092(5) 0.1992(4) 0.1401(5) 0.0412(16) Uani 1 1 d .
C1A C 0.0240(8) 0.1781(7) 0.0764(8) 0.029(2) Uani 1 1 d .
C2A C -0.0192(8) 0.1164(7) -0.0451(9) 0.036(2) Uani 1 1 d .
H2A H -0.1161 0.0907 -0.0956 0.043 Uiso 1 1 calc R
C3A C 0.0829(8) 0.0911(7) -0.0951(8) 0.048(3) Uani 1 1 d .
H3A H 0.0564 0.0515 -0.1786 0.058 Uiso 1 1 calc R
C4A C 0.2263(8) 0.1275(7) -0.0149(8) 0.036(2) Uani 1 1 d .
H4A H 0.2954 0.1115 -0.0461 0.044 Uiso 1 1 calc R
C5A C 0.2662(7) 0.1850(7) 0.1062(9) 0.032(2) Uani 1 1 d .
C6A C 0.1655(7) 0.2133(6) 0.1552(7) 0.037(2) Uani 1 1 d .
H6A H 0.1928 0.2547 0.2386 0.045 Uiso 1 1 calc R
C7A C -0.0879(9) 0.2086(8) 0.1307(10) 0.039(3) Uani 1 1 d .
C8A C 0.4158(8) 0.2127(8) 0.1881(10) 0.039(3) Uani 1 1 d .
N11A N 0.6768(6) 0.0773(6) 0.2321(6) 0.0365(18) Uani 1 1 d .
N12A N 0.3683(6) -0.2260(6) 0.1269(6) 0.0403(19) Uani 1 1 d .
H12A H 0.3051 -0.2105 0.0856 0.048 Uiso 1 1 calc R
C11A C 0.5145(8) -0.1305(7) 0.1908(7) 0.032(2) Uani 1 1 d .
C12A C 0.5458(8) -0.0227(7) 0.1739(7) 0.036(2) Uani 1 1 d .
H12B H 0.4703 -0.0215 0.1188 0.043 Uiso 1 1 calc R
C13A C 0.7883(8) 0.0780(7) 0.3155(7) 0.037(2) Uani 1 1 d .
H13A H 0.8802 0.1480 0.3582 0.044 Uiso 1 1 calc R
C14A C 0.7637(8) -0.0269(7) 0.3365(7) 0.040(2) Uani 1 1 d .
H14A H 0.8406 -0.0272 0.3912 0.048 Uiso 1 1 calc R
C15A C 0.6270(8) -0.1288(7) 0.2768(7) 0.036(2) Uani 1 1 d .
H15A H 0.6096 -0.1964 0.2937 0.043 Uiso 1 1 calc R
O21A O 0.3969(5) -0.3753(5) 0.1739(6) 0.067(2) Uani 1 1 d .
C21A C 0.3161(8) -0.3407(8) 0.1234(8) 0.043(2) Uani 1 1 d .
C22A C 0.1529(8) -0.4214(7) 0.0587(7) 0.031(2) Uani 1 1 d .
C23A C 0.0509(9) -0.3724(7) 0.0418(7) 0.044(2) Uani 1 1 d .
H23A H 0.0851 -0.2866 0.0707 0.053 Uiso 1 1 calc R
C24A C -0.1021(9) -0.4509(7) -0.0183(8) 0.048(2) Uani 1 1 d .
H24A H -0.1691 -0.4178 -0.0311 0.058 Uiso 1 1 calc R
N11B N 0.7896(6) 0.4302(6) 0.2181(6) 0.0363(18) Uani 1 1 d .
N12B N 1.1216(8) 0.7278(6) 0.3514(6) 0.054(2) Uani 1 1 d .
H12C H 1.1810 0.7024 0.3822 0.065 Uiso 1 1 calc R
C11B C 0.9690(9) 0.6424(8) 0.2937(8) 0.043(2) Uani 1 1 d .
C12B C 0.9296(8) 0.5203(7) 0.2749(7) 0.036(2) Uani 1 1 d .
H12D H 1.0048 0.5000 0.3034 0.043 Uiso 1 1 calc R
C13B C 0.6806(8) 0.4601(8) 0.1776(8) 0.051(3) Uani 1 1 d .
H13B H 0.5823 0.3990 0.1375 0.061 Uiso 1 1 calc R
C14B C 0.7130(10) 0.5799(9) 0.1948(9) 0.070(3) Uani 1 1 d .
H14B H 0.6358 0.5977 0.1649 0.084 Uiso 1 1 calc R
C15B C 0.8581(9) 0.6758(8) 0.2557(8) 0.056(3) Uani 1 1 d .
H15B H 0.8791 0.7575 0.2700 0.068 Uiso 1 1 calc R
O21B O 1.1108(6) 0.8878(5) 0.3204(6) 0.084(2) Uani 1 1 d .
C21B C 1.1858(10) 0.8463(8) 0.3639(8) 0.046(3) Uani 1 1 d .
C22B C 1.3494(9) 0.9217(7) 0.4343(7) 0.036(2) Uani 1 1 d .
C23B C 1.4346(9) 0.8901(7) 0.5072(8) 0.048(3) Uani 1 1 d .
H23B H 1.3912 0.8152 0.5102 0.058 Uiso 1 1 calc R
C24B C 1.5846(9) 0.9699(7) 0.5761(8) 0.047(3) Uani 1 1 d .
H24B H 1.6405 0.9510 0.6287 0.057 Uiso 1 1 calc R
O1W O 0.7470(5) 0.3353(4) 0.3986(5) 0.0460(16) Uani 1 1 d .
O2W O 1.1716(7) 0.4182(5) 0.4697(6) 0.104(3) Uani 1 1 d .
O3W O 1.6202(8) 0.6717(8) 0.5019(6) 0.124(3) Uani 1 1 d .
O4W O 1.3070(7) 0.5680(6) 0.3448(6) 0.110(2) Uani 1 1 d .
O5W O 1.1304(10) 1.1313(10) 0.4567(10) 0.198(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'
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
O4A Co1 O1W 96.37(19) . .
O4A Co1 O1A 162.5(2) . 1_655
O1W Co1 O1A 101.0(2) . 1_655
O4A Co1 N11B 92.0(2) . .
O1W Co1 N11B 88.7(2) . .
O1A Co1 N11B 90.7(2) 1_655 .
O4A Co1 O2A 101.62(19) . 1_655
O1W Co1 O2A 161.87(16) . 1_655
O1A Co1 O2A 61.0(2) 1_655 1_655
N11B Co1 O2A 92.8(2) . 1_655
O4A Co1 N11A 90.4(2) . .
O1W Co1 N11A 87.3(2) . .
O1A Co1 N11A 88.2(2) 1_655 .
N11B Co1 N11A 175.6(3) . .
O2A Co1 N11A 90.3(2) 1_655 .
O4A Co1 C7A 132.0(3) . 1_655
O1W Co1 C7A 131.4(3) . 1_655
O1A Co1 C7A 30.5(2) 1_655 1_655
N11B Co1 C7A 93.1(2) . 1_655
O2A Co1 C7A 30.5(2) 1_655 1_655
N11A Co1 C7A 88.1(2) . 1_655
C7A O1A Co1 89.7(5) . 1_455
C7A O2A Co1 87.5(5) . 1_455
C8A O4A Co1 130.3(6) . .
C2A C1A C6A 122.0(7) . .
C2A C1A C7A 119.6(7) . .
C6A C1A C7A 118.4(8) . .
C1A C2A C3A 119.8(7) . .
C1A C2A H2A 120.1 . .
C3A C2A H2A 120.1 . .
C4A C3A C2A 117.9(8) . .
C4A C3A H3A 121.1 . .
C2A C3A H3A 121.1 . .
C5A C4A C3A 121.7(7) . .
C5A C4A H4A 119.2 . .
C3A C4A H4A 119.2 . .
C4A C5A C6A 120.1(7) . .
C4A C5A C8A 119.7(7) . .
C6A C5A C8A 120.1(8) . .
C1A C6A C5A 118.5(8) . .
C1A C6A H6A 120.8 . .
C5A C6A H6A 120.8 . .
O1A C7A O2A 121.6(7) . .
O1A C7A C1A 120.6(7) . .
O2A C7A C1A 117.8(9) . .
O1A C7A Co1 59.7(4) . 1_455
O2A C7A Co1 62.0(4) . 1_455
C1A C7A Co1 177.9(5) . 1_455
O3A C8A O4A 121.0(8) . .
O3A C8A C5A 121.7(8) . .
O4A C8A C5A 117.3(9) . .
C12A N11A C13A 118.9(6) . .
C12A N11A Co1 125.5(5) . .
C13A N11A Co1 115.4(5) . .
C21A N12A C11A 126.8(6) . .
C21A N12A H12A 116.6 . .
C11A N12A H12A 116.6 . .
C12A C11A C15A 117.3(7) . .
C12A C11A N12A 116.9(7) . .
C15A C11A N12A 125.6(7) . .
N11A C12A C11A 123.7(7) . .
N11A C12A H12B 118.1 . .
C11A C12A H12B 118.1 . .
N11A C13A C14A 120.1(7) . .
N11A C13A H13A 120.0 . .
C14A C13A H13A 120.0 . .
C15A C14A C13A 120.3(7) . .
C15A C14A H14A 119.8 . .
C13A C14A H14A 119.8 . .
C14A C15A C11A 119.7(7) . .
C14A C15A H15A 120.2 . .
C11A C15A H15A 120.2 . .
O21A C21A N12A 122.5(7) . .
O21A C21A C22A 120.9(7) . .
N12A C21A C22A 116.6(6) . .
C24A C22A C23A 119.7(6) 2_545 .
C24A C22A C21A 118.0(7) 2_545 .
C23A C22A C21A 122.3(7) . .
C24A C23A C22A 120.8(7) . .
C24A C23A H23A 119.6 . .
C22A C23A H23A 119.6 . .
C22A C24A C23A 119.5(6) 2_545 .
C22A C24A H24A 120.3 2_545 .
C23A C24A H24A 120.3 . .
C12B N11B C13B 118.0(7) . .
C12B N11B Co1 122.2(5) . .
C13B N11B Co1 118.9(5) . .
C21B N12B C11B 127.5(7) . .
C21B N12B H12C 116.2 . .
C11B N12B H12C 116.2 . .
C12B C11B C15B 119.1(8) . .
C12B C11B N12B 118.2(7) . .
C15B C11B N12B 122.7(8) . .
N11B C12B C11B 123.8(7) . .
N11B C12B H12D 118.1 . .
C11B C12B H12D 118.1 . .
C14B C13B N11B 120.8(7) . .
C14B C13B H13B 119.6 . .
N11B C13B H13B 119.6 . .
C13B C14B C15B 122.1(8) . .
C13B C14B H14B 118.9 . .
C15B C14B H14B 118.9 . .
C11B C15B C14B 116.2(8) . .
C11B C15B H15B 121.9 . .
C14B C15B H15B 121.9 . .
O21B C21B N12B 120.4(8) . .
O21B C21B C22B 121.8(8) . .
N12B C21B C22B 117.8(7) . .
C23B C22B C24B 120.2(7) . 2_876
C23B C22B C21B 124.0(7) . .
C24B C22B C21B 115.8(7) 2_876 .
C22B C23B C24B 120.2(7) . .
C22B C23B H23B 119.9 . .
C24B C23B H23B 119.9 . .
C23B C24B C22B 119.4(7) . 2_876
C23B C24B H24B 120.3 . .
C22B C24B H24B 120.3 2_876 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O4A 2.018(4) .
Co1 O1W 2.110(5) .
Co1 O1A 2.154(5) 1_655
Co1 N11B 2.171(6) .
Co1 O2A 2.203(5) 1_655
Co1 N11A 2.169(6) .
Co1 C7A 2.493(8) 1_655
O1A C7A 1.266(9) .
O1A Co1 2.154(5) 1_455
O2A C7A 1.265(8) .
O2A Co1 2.203(5) 1_455
O3A C8A 1.254(9) .
O4A C8A 1.271(9) .
C1A C2A 1.352(9) .
C1A C6A 1.389(8) .
C1A C7A 1.551(10) .
C2A C3A 1.407(9) .
C2A H2A 0.9300 .
C3A C4A 1.406(9) .
C3A H3A 0.9300 .
C4A C5A 1.348(9) .
C4A H4A 0.9300 .
C5A C6A 1.399(9) .
C5A C8A 1.498(10) .
C6A H6A 0.9300 .
C7A Co1 2.493(8) 1_455
N11A C12A 1.327(8) .
N11A C13A 1.370(8) .
N12A C21A 1.362(8) .
N12A C11A 1.403(8) .
N12A H12A 0.8600 .
C11A C12A 1.408(9) .
C11A C15A 1.390(9) .
C12A H12B 0.9300 .
C13A C14A 1.407(8) .
C13A H13A 0.9300 .
C14A C15A 1.371(9) .
C14A H14A 0.9300 .
C15A H15A 0.9300 .
O21A C21A 1.221(8) .
C21A C22A 1.488(9) .
C22A C24A 1.387(9) 2_545
C22A C23A 1.395(9) .
C23A C24A 1.399(9) .
C23A H23A 0.9300 .
C24A C22A 1.387(9) 2_545
C24A H24A 0.9300 .
N11B C12B 1.337(8) .
N11B C13B 1.349(8) .
N12B C21B 1.368(9) .
N12B C11B 1.412(9) .
N12B H12C 0.8600 .
C11B C12B 1.386(9) .
C11B C15B 1.387(9) .
C12B H12D 0.9300 .
C13B C14B 1.374(10) .
C13B H13B 0.9300 .
C14B C15B 1.396(10) .
C14B H14B 0.9300 .
C15B H15B 0.9300 .
O21B C21B 1.207(8) .
C21B C22B 1.490(10) .
C22B C23B 1.383(10) .
C22B C24B 1.393(9) 2_876
C23B C24B 1.389(9) .
C23B H23B 0.9300 .
C24B C22B 1.393(9) 2_876
C24B H24B 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
_geom_torsion_site_symmetry_4
O1W Co1 O4A C8A -1.9(6) . .
O1A Co1 O4A C8A 170.6(6) 1_655 .
N11B Co1 O4A C8A -90.9(6) . .
O2A Co1 O4A C8A 175.8(6) 1_655 .
N11A Co1 O4A C8A 85.4(6) . .
C7A Co1 O4A C8A 173.2(6) 1_655 .
C6A C1A C2A C3A -2.8(11) . .
C7A C1A C2A C3A 178.4(6) . .
C1A C2A C3A C4A 2.4(10) . .
C2A C3A C4A C5A -0.1(11) . .
C3A C4A C5A C6A -1.9(11) . .
C3A C4A C5A C8A 175.0(6) . .
C2A C1A C6A C5A 0.9(11) . .
C7A C1A C6A C5A 179.6(6) . .
C4A C5A C6A C1A 1.5(10) . .
C8A C5A C6A C1A -175.4(6) . .
Co1 O1A C7A O2A 3.7(7) 1_455 .
Co1 O1A C7A C1A -177.5(6) 1_455 .
Co1 O2A C7A O1A -3.7(7) 1_455 .
Co1 O2A C7A C1A 177.6(6) 1_455 .
C2A C1A C7A O1A -177.6(7) . .
C6A C1A C7A O1A 3.7(10) . .
C2A C1A C7A O2A 1.2(10) . .
C6A C1A C7A O2A -177.6(7) . .
C2A C1A C7A Co1 85(19) . 1_455
C6A C1A C7A Co1 -94(19) . 1_455
Co1 O4A C8A O3A -8.3(11) . .
Co1 O4A C8A C5A 169.6(5) . .
C4A C5A C8A O3A -170.8(7) . .
C6A C5A C8A O3A 6.1(11) . .
C4A C5A C8A O4A 11.3(10) . .
C6A C5A C8A O4A -171.7(7) . .
O4A Co1 N11A C12A 15.4(6) . .
O1W Co1 N11A C12A 111.7(6) . .
O1A Co1 N11A C12A -147.2(6) 1_655 .
N11B Co1 N11A C12A 138(3) . .
O2A Co1 N11A C12A -86.2(6) 1_655 .
C7A Co1 N11A C12A -116.6(7) 1_655 .
O4A Co1 N11A C13A -159.8(5) . .
O1W Co1 N11A C13A -63.5(5) . .
O1A Co1 N11A C13A 37.6(5) 1_655 .
N11B Co1 N11A C13A -37(3) . .
O2A Co1 N11A C13A 98.5(5) 1_655 .
C7A Co1 N11A C13A 68.2(5) 1_655 .
C21A N12A C11A C12A 175.4(7) . .
C21A N12A C11A C15A -10.5(13) . .
C13A N11A C12A C11A -1.4(11) . .
Co1 N11A C12A C11A -176.4(6) . .
C15A C11A C12A N11A 2.3(12) . .
N12A C11A C12A N11A 176.9(6) . .
C12A N11A C13A C14A 1.2(11) . .
Co1 N11A C13A C14A 176.8(6) . .
N11A C13A C14A C15A -2.1(11) . .
C13A C14A C15A C11A 3.1(12) . .
C12A C11A C15A C14A -3.1(11) . .
N12A C11A C15A C14A -177.2(7) . .
C11A N12A C21A O21A -3.3(14) . .
C11A N12A C21A C22A 174.2(6) . .
O21A C21A C22A C24A -23.4(12) . 2_545
N12A C21A C22A C24A 159.1(7) . 2_545
O21A C21A C22A C23A 154.3(9) . .
N12A C21A C22A C23A -23.3(11) . .
C24A C22A C23A C24A -1.7(13) 2_545 .
C21A C22A C23A C24A -179.3(8) . .
C22A C23A C24A C22A 1.7(13) . 2_545
O4A Co1 N11B C12B 171.5(6) . .
O1W Co1 N11B C12B 75.2(6) . .
O1A Co1 N11B C12B -25.8(6) 1_655 .
O2A Co1 N11B C12B -86.7(6) 1_655 .
N11A Co1 N11B C12B 49(3) . .
C7A Co1 N11B C12B -56.2(6) 1_655 .
O4A Co1 N11B C13B 2.8(6) . .
O1W Co1 N11B C13B -93.6(6) . .
O1A Co1 N11B C13B 165.5(6) 1_655 .
O2A Co1 N11B C13B 104.5(6) 1_655 .
N11A Co1 N11B C13B -120(3) . .
C7A Co1 N11B C13B 135.0(6) 1_655 .
C21B N12B C11B C12B 170.4(8) . .
C21B N12B C11B C15B -9.7(13) . .
C13B N11B C12B C11B -0.4(12) . .
Co1 N11B C12B C11B -169.3(6) . .
C15B C11B C12B N11B 2.2(13) . .
N12B C11B C12B N11B -177.9(7) . .
C12B N11B C13B C14B -0.2(12) . .
Co1 N11B C13B C14B 169.0(6) . .
N11B C13B C14B C15B -0.9(14) . .
C12B C11B C15B C14B -3.1(12) . .
N12B C11B C15B C14B 177.0(8) . .
C13B C14B C15B C11B 2.5(13) . .
C11B N12B C21B O21B -2.0(14) . .
C11B N12B C21B C22B 176.9(7) . .
O21B C21B C22B C23B 165.5(9) . .
N12B C21B C22B C23B -13.4(13) . .
O21B C21B C22B C24B -14.0(13) . 2_876
N12B C21B C22B C24B 167.1(8) . 2_876
C24B C22B C23B C24B 3.8(14) 2_876 .
C21B C22B C23B C24B -175.7(7) . .
C22B C23B C24B C22B -3.8(14) . 2_876
