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#$Date: 2024-09-06 03:43:56 +0300 (Fri, 06 Sep 2024) $
#$Revision: 294556 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/67/7716757.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_7716757
loop_
_publ_author_name
'Dong, Wen-Shuai'
'Mei, Hao-Zheng'
'Yu, Qi-Yao'
'Xu, Mei-Qi'
'Li, Zong-You'
'Zhang, Jian-Guo'
_publ_section_title
;
 Structure and performance regulation of energetic complexes through
 multifunctional molecular self-assembly.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13925
_journal_page_last               13932
_journal_paper_doi               10.1039/d4dt00830h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C5 H18 Co N16 O11'
_chemical_formula_weight         537.28
_space_group_crystal_system      trigonal
_space_group_IT_number           158
_space_group_name_Hall           'P 3 -2"c'
_space_group_name_H-M_alt        'P 3 c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2024-07-19 deposited with the CCDC.	2024-07-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   18.7510(6)
_cell_length_b                   18.7510(6)
_cell_length_c                   9.6642(4)
_cell_measurement_reflns_used    2080
_cell_measurement_temperature    119(2)
_cell_measurement_theta_max      26.5170
_cell_measurement_theta_min      3.9150
_cell_volume                     2942.70(18)
_computing_data_collection
'APEX2 (Bruker AXS Inc., Madison, Wisconsin, USA, 2012)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXL-2019/2 (Sheldrick, 2019)'
_diffrn_ambient_temperature      119(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0440
_diffrn_reflns_av_unetI/netI     0.0588
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6427
_diffrn_reflns_point_group_measured_fraction_full 0.755
_diffrn_reflns_point_group_measured_fraction_max 0.746
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.980
_diffrn_reflns_theta_min         3.764
_exptl_absorpt_coefficient_mu    0.968
_exptl_absorpt_correction_T_max  0.8302
_exptl_absorpt_correction_T_min  0.8151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_description       needle
_exptl_crystal_F_000             1650
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.653
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.123
_refine_ls_abs_structure_details
;
 Flack x determined using 663 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         2864
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0612
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0899P)²+6.3877P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1599
_refine_ls_wR_factor_ref         0.1708
_reflns_Friedel_coverage         0.491
_reflns_Friedel_fraction_full    0.511
_reflns_Friedel_fraction_max     0.492
_reflns_number_gt                2433
_reflns_number_total             2864
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00830h2.cif
_cod_data_source_block           exp_6586
_cod_depositor_comments
'Adding full bibliography for 7716752--7716760.cif.'
_cod_original_cell_volume        2942.7(2)
_cod_database_code               7716757
_shelx_shelxl_version_number     2019/2
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.815
_shelx_estimated_absorpt_t_max   0.830
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x+y, y, z+1/2'
'x, x-y, z+1/2'
'-y, -x, z+1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.666667 0.333333 0.2282(2) 0.0167(5) Uani 1 3 d S T P . .
Co2 Co 0.333333 0.666667 0.0860(2) 0.0171(5) Uani 1 3 d S T P . .
Co3 Co 0.000000 1.000000 0.3263(2) 0.0137(5) Uani 1 3 d S T P . .
N1 N 0.6018(5) 0.6972(5) 0.0420(9) 0.0229(18) Uani 1 1 d . . . . .
N2 N 0.6226(5) 0.5814(5) 0.0797(9) 0.026(2) Uani 1 1 d . . . . .
N3 N 0.7839(5) 0.7299(5) 0.1883(11) 0.031(2) Uani 1 1 d . . . . .
N4 N 0.6770(7) 0.7224(7) 0.3354(11) 0.043(3) Uani 1 1 d . . . . .
N5 N 0.7756(5) 0.4078(5) 0.1110(9) 0.0239(18) Uani 1 1 d . . . . .
H5A H 0.807419 0.383786 0.108149 0.029 Uiso 1 1 calc R U . . .
H5B H 0.762090 0.413232 0.022692 0.029 Uiso 1 1 calc R U . . .
N6 N 0.8195(5) 0.4865(5) 0.1754(9) 0.028(2) Uani 1 1 d . . . . .
H6 H 0.866363 0.525880 0.141712 0.033 Uiso 1 1 calc R U . . .
N7 N 0.8219(6) 0.5743(5) 0.3396(10) 0.031(2) Uani 1 1 d . . . . .
H7 H 0.800369 0.587024 0.409687 0.037 Uiso 1 1 calc R U . . .
N8 N 0.8962(7) 0.6352(7) 0.2759(14) 0.054(3) Uani 1 1 d . . . . .
H8A H 0.938595 0.651980 0.336928 0.082 Uiso 1 1 d R U . . .
H8B H 0.890687 0.679060 0.251143 0.082 Uiso 1 1 d R U . . .
N9 N 0.3040(5) 0.5535(5) -0.0167(9) 0.0201(17) Uani 1 1 d . . . . .
H9A H 0.248719 0.517904 -0.013421 0.024 Uiso 1 1 calc R U . . .
H9B H 0.319667 0.563423 -0.106988 0.024 Uiso 1 1 calc R U . . .
N10 N 0.3455(5) 0.5202(5) 0.0503(10) 0.027(2) Uani 1 1 d . . . . .
H10 H 0.340087 0.473168 0.022175 0.033 Uiso 1 1 calc R U . . .
N11 N 0.4376(5) 0.5298(6) 0.2158(10) 0.028(2) Uani 1 1 d . . . . .
H11 H 0.476754 0.559233 0.275858 0.034 Uiso 1 1 calc R U . . .
N12 N 0.4212(6) 0.4504(5) 0.1801(12) 0.037(2) Uani 1 1 d . . . . .
H12A H 0.422285 0.423624 0.257876 0.055 Uiso 1 1 d R U . . .
H12B H 0.460510 0.454489 0.120041 0.055 Uiso 1 1 d R U . . .
N13 N -0.0339(4) 0.8896(4) 0.4413(8) 0.0154(16) Uani 1 1 d . . . . .
H13A H -0.022979 0.901328 0.532858 0.018 Uiso 1 1 calc R U . . .
H13B H -0.088639 0.853151 0.431279 0.018 Uiso 1 1 calc R U . . .
N14 N 0.0135(5) 0.8556(5) 0.3877(8) 0.0175(17) Uani 1 1 d . . . . .
H14 H 0.020661 0.819404 0.434432 0.021 Uiso 1 1 calc R U . . .
N15 N 0.0808(5) 0.8418(5) 0.2002(9) 0.0234(18) Uani 1 1 d . . . . .
H15 H 0.105400 0.858944 0.119583 0.028 Uiso 1 1 calc R U . . .
N16 N 0.0775(5) 0.7722(5) 0.2648(10) 0.027(2) Uani 1 1 d . . . . .
H16A H 0.128642 0.785864 0.295354 0.040 Uiso 1 1 d R U . . .
H16B H 0.059958 0.730488 0.202303 0.040 Uiso 1 1 d R U . . .
O1 O 0.5434(4) 0.6594(5) -0.0395(8) 0.0308(17) Uani 1 1 d . . . . .
O2 O 0.6258(5) 0.7709(4) 0.0705(9) 0.038(2) Uani 1 1 d . . . . .
O3 O 0.5761(5) 0.5396(4) -0.0185(8) 0.0332(18) Uani 1 1 d . . . . .
O4 O 0.6560(6) 0.5513(4) 0.1537(9) 0.045(2) Uani 1 1 d . . . . .
O5 O 0.8013(5) 0.7181(5) 0.0661(9) 0.038(2) Uani 1 1 d . . . . .
O6 O 0.8381(6) 0.7584(5) 0.2754(10) 0.054(3) Uani 1 1 d . . . . .
O7 O 0.7272(8) 0.7646(7) 0.4280(10) 0.072(3) Uani 1 1 d . . . . .
O8 O 0.6016(8) 0.6932(8) 0.3514(10) 0.075(3) Uani 1 1 d . . . . .
O9 O 0.7245(4) 0.4393(4) 0.3476(8) 0.0249(17) Uani 1 1 d . . . . .
O10 O 0.4009(5) 0.6266(4) 0.2023(7) 0.0262(17) Uani 1 1 d . . . . .
O11 O 0.0486(4) 0.9430(4) 0.2044(7) 0.0202(15) Uani 1 1 d . . . . .
C1 C 0.7020(6) 0.7064(6) 0.2130(11) 0.022(2) Uani 1 1 d . . . . .
C2 C 0.6420(6) 0.6606(6) 0.1063(11) 0.024(2) Uani 1 1 d . . . . .
C3 C 0.7858(7) 0.4976(6) 0.2904(10) 0.028(2) Uani 1 1 d . . . . .
C4 C 0.3945(6) 0.5602(6) 0.1596(10) 0.020(2) Uani 1 1 d . . . . .
C5 C 0.0464(5) 0.8818(5) 0.2622(9) 0.0157(19) 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
_geom_angle_publ_flag
O9 Co1 O9 92.0(3) . 3_665 ?
O9 Co1 O9 92.0(3) . 2_655 ?
O9 Co1 O9 92.0(3) 3_665 2_655 ?
O9 Co1 N5 78.3(3) . . ?
O9 Co1 N5 96.5(3) 3_665 . ?
O9 Co1 N5 167.3(3) 2_655 . ?
O9 Co1 N5 167.3(3) . 3_665 ?
O9 Co1 N5 78.3(3) 3_665 3_665 ?
O9 Co1 N5 96.5(3) 2_655 3_665 ?
N5 Co1 N5 94.4(3) . 3_665 ?
O9 Co1 N5 96.5(3) . 2_655 ?
O9 Co1 N5 167.3(3) 3_665 2_655 ?
O9 Co1 N5 78.3(3) 2_655 2_655 ?
N5 Co1 N5 94.4(3) . 2_655 ?
N5 Co1 N5 94.4(3) 3_665 2_655 ?
O10 Co2 O10 93.9(3) . 2_665 ?
O10 Co2 O10 93.9(3) . 3_565 ?
O10 Co2 O10 93.9(3) 2_665 3_565 ?
O10 Co2 N9 172.1(3) . 3_565 ?
O10 Co2 N9 87.5(3) 2_665 3_565 ?
O10 Co2 N9 78.2(3) 3_565 3_565 ?
O10 Co2 N9 87.5(3) . 2_665 ?
O10 Co2 N9 78.2(3) 2_665 2_665 ?
O10 Co2 N9 172.1(3) 3_565 2_665 ?
N9 Co2 N9 100.4(3) 3_565 2_665 ?
O10 Co2 N9 78.2(3) . . ?
O10 Co2 N9 172.1(3) 2_665 . ?
O10 Co2 N9 87.5(3) 3_565 . ?
N9 Co2 N9 100.4(3) 3_565 . ?
N9 Co2 N9 100.4(3) 2_665 . ?
O11 Co3 O11 91.2(3) 3_465 2_675 ?
O11 Co3 O11 91.2(3) 3_465 . ?
O11 Co3 O11 91.2(3) 2_675 . ?
O11 Co3 N13 166.8(3) 3_465 2_675 ?
O11 Co3 N13 78.0(3) 2_675 2_675 ?
O11 Co3 N13 96.5(3) . 2_675 ?
O11 Co3 N13 78.0(3) 3_465 3_465 ?
O11 Co3 N13 96.5(3) 2_675 3_465 ?
O11 Co3 N13 166.8(3) . 3_465 ?
N13 Co3 N13 95.6(3) 2_675 3_465 ?
O11 Co3 N13 96.5(3) 3_465 . ?
O11 Co3 N13 166.8(3) 2_675 . ?
O11 Co3 N13 78.0(3) . . ?
N13 Co3 N13 95.6(3) 2_675 . ?
N13 Co3 N13 95.6(3) 3_465 . ?
O1 N1 O2 119.9(8) . . ?
O1 N1 C2 122.7(8) . . ?
O2 N1 C2 117.4(8) . . ?
O4 N2 O3 119.7(8) . . ?
O4 N2 C2 117.4(9) . . ?
O3 N2 C2 122.8(8) . . ?
O6 N3 O5 119.1(10) . . ?
O6 N3 C1 124.6(11) . . ?
O5 N3 C1 116.3(8) . . ?
O8 N4 O7 121.3(11) . . ?
O8 N4 C1 116.8(10) . . ?
O7 N4 C1 121.9(11) . . ?
N6 N5 Co1 108.3(6) . . ?
N6 N5 H5A 110.0 . . ?
Co1 N5 H5A 110.0 . . ?
N6 N5 H5B 110.0 . . ?
Co1 N5 H5B 110.0 . . ?
H5A N5 H5B 108.4 . . ?
C3 N6 N5 116.6(8) . . ?
C3 N6 H6 121.7 . . ?
N5 N6 H6 121.7 . . ?
C3 N7 N8 118.4(10) . . ?
C3 N7 H7 120.8 . . ?
N8 N7 H7 120.8 . . ?
N7 N8 H8A 109.4 . . ?
N7 N8 H8B 109.3 . . ?
H8A N8 H8B 109.5 . . ?
N10 N9 Co2 107.8(6) . . ?
N10 N9 H9A 110.1 . . ?
Co2 N9 H9A 110.1 . . ?
N10 N9 H9B 110.1 . . ?
Co2 N9 H9B 110.1 . . ?
H9A N9 H9B 108.5 . . ?
C4 N10 N9 119.9(8) . . ?
C4 N10 H10 120.1 . . ?
N9 N10 H10 120.1 . . ?
C4 N11 N12 120.0(9) . . ?
C4 N11 H11 120.0 . . ?
N12 N11 H11 120.0 . . ?
N11 N12 H12A 109.1 . . ?
N11 N12 H12B 109.2 . . ?
H12A N12 H12B 109.5 . . ?
N14 N13 Co3 107.0(5) . . ?
N14 N13 H13A 110.3 . . ?
Co3 N13 H13A 110.3 . . ?
N14 N13 H13B 110.3 . . ?
Co3 N13 H13B 110.3 . . ?
H13A N13 H13B 108.6 . . ?
C5 N14 N13 116.2(7) . . ?
C5 N14 H14 121.9 . . ?
N13 N14 H14 121.9 . . ?
C5 N15 N16 120.1(8) . . ?
C5 N15 H15 119.9 . . ?
N16 N15 H15 119.9 . . ?
N15 N16 H16A 109.2 . . ?
N15 N16 H16B 109.3 . . ?
H16A N16 H16B 109.5 . . ?
C3 O9 Co1 113.7(7) . . ?
C4 O10 Co2 113.8(6) . . ?
C5 O11 Co3 113.2(6) . . ?
N4 C1 N3 121.7(9) . . ?
N4 C1 C2 120.0(9) . . ?
N3 C1 C2 118.2(9) . . ?
N2 C2 N1 122.4(9) . . ?
N2 C2 C1 118.9(9) . . ?
N1 C2 C1 118.5(8) . . ?
O9 C3 N7 122.2(10) . . ?
O9 C3 N6 121.9(9) . . ?
N7 C3 N6 115.9(10) . . ?
O10 C4 N11 121.2(10) . . ?
O10 C4 N10 120.2(9) . . ?
N11 C4 N10 118.5(9) . . ?
O11 C5 N14 122.4(8) . . ?
O11 C5 N15 120.2(8) . . ?
N14 C5 N15 117.4(8) . . ?
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 O9 2.074(7) . ?
Co1 O9 2.074(7) 3_665 ?
Co1 O9 2.074(7) 2_655 ?
Co1 N5 2.133(8) . ?
Co1 N5 2.133(8) 3_665 ?
Co1 N5 2.133(8) 2_655 ?
Co2 O10 2.094(7) . ?
Co2 O10 2.094(7) 2_665 ?
Co2 O10 2.094(7) 3_565 ?
Co2 N9 2.149(8) 3_565 ?
Co2 N9 2.149(8) 2_665 ?
Co2 N9 2.149(8) . ?
Co3 O11 2.082(7) 3_465 ?
Co3 O11 2.082(7) 2_675 ?
Co3 O11 2.082(7) . ?
Co3 N13 2.148(8) 2_675 ?
Co3 N13 2.148(7) 3_465 ?
Co3 N13 2.148(7) . ?
N1 O1 1.242(10) . ?
N1 O2 1.251(10) . ?
N1 C2 1.393(13) . ?
N2 O4 1.255(11) . ?
N2 O3 1.262(11) . ?
N2 C2 1.366(12) . ?
N3 O6 1.218(11) . ?
N3 O5 1.274(12) . ?
N3 C1 1.391(13) . ?
N4 O8 1.245(15) . ?
N4 O7 1.252(14) . ?
N4 C1 1.360(14) . ?
N5 N6 1.425(12) . ?
N5 H5A 0.9100 . ?
N5 H5B 0.9100 . ?
N6 C3 1.344(13) . ?
N6 H6 0.8800 . ?
N7 C3 1.335(13) . ?
N7 N8 1.426(14) . ?
N7 H7 0.8800 . ?
N8 H8A 0.9100 . ?
N8 H8B 0.9100 . ?
N9 N10 1.379(11) . ?
N9 H9A 0.9100 . ?
N9 H9B 0.9100 . ?
N10 C4 1.354(13) . ?
N10 H10 0.8800 . ?
N11 C4 1.316(13) . ?
N11 N12 1.404(13) . ?
N11 H11 0.8800 . ?
N12 H12A 0.9100 . ?
N12 H12B 0.9100 . ?
N13 N14 1.424(10) . ?
N13 H13A 0.9100 . ?
N13 H13B 0.9100 . ?
N14 C5 1.338(11) . ?
N14 H14 0.8800 . ?
N15 C5 1.350(11) . ?
N15 N16 1.419(11) . ?
N15 H15 0.8800 . ?
N16 H16A 0.9100 . ?
N16 H16B 0.9100 . ?
O9 C3 1.251(13) . ?
O10 C4 1.260(12) . ?
O11 C5 1.258(11) . ?
C1 C2 1.449(13) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 N5 N6 C3 0.1(10) . . . . ?
Co2 N9 N10 C4 -0.6(10) . . . . ?
Co3 N13 N14 C5 -18.7(9) . . . . ?
O8 N4 C1 N3 -174.4(11) . . . . ?
O7 N4 C1 N3 5.6(16) . . . . ?
O8 N4 C1 C2 2.9(15) . . . . ?
O7 N4 C1 C2 -177.1(11) . . . . ?
O6 N3 C1 N4 7.8(15) . . . . ?
O5 N3 C1 N4 -174.1(9) . . . . ?
O6 N3 C1 C2 -169.5(9) . . . . ?
O5 N3 C1 C2 8.5(13) . . . . ?
O4 N2 C2 N1 -172.4(9) . . . . ?
O3 N2 C2 N1 10.8(15) . . . . ?
O4 N2 C2 C1 2.5(14) . . . . ?
O3 N2 C2 C1 -174.2(9) . . . . ?
O1 N1 C2 N2 2.9(15) . . . . ?
O2 N1 C2 N2 -178.0(9) . . . . ?
O1 N1 C2 C1 -172.1(9) . . . . ?
O2 N1 C2 C1 7.0(13) . . . . ?
N4 C1 C2 N2 -107.5(11) . . . . ?
N3 C1 C2 N2 69.9(12) . . . . ?
N4 C1 C2 N1 67.7(13) . . . . ?
N3 C1 C2 N1 -114.9(10) . . . . ?
Co1 O9 C3 N7 167.8(8) . . . . ?
Co1 O9 C3 N6 -12.4(12) . . . . ?
N8 N7 C3 O9 173.9(10) . . . . ?
N8 N7 C3 N6 -5.9(14) . . . . ?
N5 N6 C3 O9 8.3(14) . . . . ?
N5 N6 C3 N7 -171.8(9) . . . . ?
Co2 O10 C4 N11 175.3(7) . . . . ?
Co2 O10 C4 N10 -1.8(12) . . . . ?
N12 N11 C4 O10 171.1(9) . . . . ?
N12 N11 C4 N10 -11.7(14) . . . . ?
N9 N10 C4 O10 1.7(14) . . . . ?
N9 N10 C4 N11 -175.6(9) . . . . ?
Co3 O11 C5 N14 1.9(11) . . . . ?
Co3 O11 C5 N15 -175.4(6) . . . . ?
N13 N14 C5 O11 12.3(13) . . . . ?
N13 N14 C5 N15 -170.3(7) . . . . ?
N16 N15 C5 O11 -179.3(8) . . . . ?
N16 N15 C5 N14 3.2(13) . . . . ?
