#------------------------------------------------------------------------------
#$Date: 2022-07-06 11:08:08 +0300 (Wed, 06 Jul 2022) $
#$Revision: 276614 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/04/7710458.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_7710458
loop_
_publ_author_name
'Shao, Dong'
'Moorthy, Shruti'
'Zhou, Yue'
'Wu, Si-Tong'
'Zhu, Jing-Yan'
'Yang, Jiong'
'Wu, Dong-Qing'
'Tian, Zhengfang'
'Singh, Saurabh Kumar'
_publ_section_title
;
 Field-induced slow magnetic relaxation behaviours in binuclear cobalt(II)
 metallocycles and exchange-coupled clusters.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9357
_journal_page_last               9368
_journal_paper_doi               10.1039/d2dt01620f
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C40 H38 Co2 N16 O8 S4, 2(C2 H3 N)'
_chemical_formula_sum            'C44 H44 Co2 N18 O8 S4'
_chemical_formula_weight         1199.07
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2021-10-05
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-12-06 deposited with the CCDC.	2022-05-26 downloaded from the CCDC.
;
_cell_angle_alpha                111.160(3)
_cell_angle_beta                 92.134(3)
_cell_angle_gamma                105.776(3)
_cell_formula_units_Z            1
_cell_length_a                   8.6076(7)
_cell_length_b                   11.4314(10)
_cell_length_c                   14.1068(13)
_cell_measurement_reflns_used    2331
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.48
_cell_measurement_theta_min      2.49
_cell_volume                     1231.46(19)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1087
_diffrn_reflns_av_unetI/netI     0.1040
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16878
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.701
_diffrn_reflns_theta_min         2.487
_diffrn_source_current           1.2
_diffrn_source_power             0.0576
_diffrn_source_voltage           48.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.917
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6227
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_description       block
_exptl_crystal_F_000             616
_refine_diff_density_max         0.864
_refine_diff_density_min         -0.471
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         4675
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0510
_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)+(0.0266P)²+1.0821P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.1061
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3323
_reflns_number_total             4675
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01620f2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7710458--7710459.cif.'
_cod_database_code               7710458
_shelx_shelxl_version_number     2017/1
_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_max   25.48
_shelx_estimated_absorpt_t_min   2.49
_exptl_absorpt_special_details   'SADABS; Bruker, 2000'
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C7(H7), C11(H11), C12(H12), C13(H13), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20), C22(H22)
2.b Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C9(H9A,H9B,H9C), C21(H21A,H21B,H21C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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 0.46295(6) 0.36659(5) 0.64204(4) 0.00897(15) Uani 1 1 d . . . . .
S1 S 0.22418(11) 0.33005(10) 0.81356(8) 0.0114(2) Uani 1 1 d . . . . .
S2 S 0.82284(10) 0.59572(10) 0.72652(8) 0.0110(2) Uani 1 1 d . . . . .
O1 O 0.2066(3) 0.1951(3) 0.7472(2) 0.0156(6) Uani 1 1 d . . . . .
O2 O 0.0738(3) 0.3636(3) 0.8249(2) 0.0210(7) Uani 1 1 d . . . . .
O3 O 0.8698(3) 0.4815(3) 0.6656(2) 0.0147(6) Uani 1 1 d . . . . .
O4 O 0.8603(3) 0.7035(3) 0.6905(2) 0.0147(6) Uani 1 1 d . . . . .
N1 N 0.5523(4) 0.2292(3) 0.6766(3) 0.0119(7) Uani 1 1 d . . . . .
N2 N 0.3000(3) 0.1799(3) 0.5409(2) 0.0095(7) Uani 1 1 d . . . . .
N3 N 0.6364(3) 0.5441(3) 0.7369(3) 0.0109(7) Uani 1 1 d . . . . .
N4 N 0.3578(3) 0.4223(3) 0.7742(2) 0.0101(7) Uani 1 1 d . . . . .
N5 N 0.5786(3) 0.3725(3) 0.5065(2) 0.0090(7) Uani 1 1 d . . . . .
N6 N 0.6478(3) 0.5140(3) 0.4151(2) 0.0098(7) Uani 1 1 d . . . . .
N7 N 0.4683(4) 0.0056(3) 0.6630(3) 0.0146(8) Uani 1 1 d . . . . .
N8 N 0.2441(4) -0.0515(3) 0.4934(3) 0.0137(8) Uani 1 1 d . . . . .
N9 N -0.0731(4) 0.0633(4) 0.9143(3) 0.0255(9) Uani 1 1 d . . . . .
C1 C 0.5627(4) 0.4681(4) 0.4785(3) 0.0078(8) Uani 1 1 d . . . . .
C2 C 0.6733(4) 0.2591(4) 0.7516(3) 0.0154(9) Uani 1 1 d . . . . .
H2 H 0.745733 0.346554 0.781186 0.019 Uiso 1 1 calc R U . . .
C3 C 0.1306(4) -0.0713(4) 0.4163(3) 0.0150(9) Uani 1 1 d . . . . .
H3 H 0.069427 -0.159124 0.373275 0.018 Uiso 1 1 calc R U . . .
C4 C 0.6926(4) 0.3155(4) 0.4676(3) 0.0110(8) Uani 1 1 d . . . . .
H4 H 0.706154 0.244909 0.483970 0.013 Uiso 1 1 calc R U . . .
C5 C 0.3101(5) 0.3523(4) 0.9371(3) 0.0203(10) Uani 1 1 d . . . . .
H5A H 0.232617 0.296108 0.963805 0.030 Uiso 1 1 calc R U . . .
H5B H 0.333913 0.444768 0.983469 0.030 Uiso 1 1 calc R U . . .
H5C H 0.411398 0.328362 0.932370 0.030 Uiso 1 1 calc R U . . .
C6 C 0.5589(4) 0.6278(4) 0.8048(3) 0.0097(8) Uani 1 1 d . . . . .
C7 C 0.3902(4) 0.7724(4) 0.9425(3) 0.0149(9) Uani 1 1 d . . . . .
H7 H 0.334948 0.821363 0.991204 0.018 Uiso 1 1 calc R U . . .
C8 C 0.4548(4) 0.1029(4) 0.6351(3) 0.0109(9) Uani 1 1 d . . . . .
C9 C 0.9375(4) 0.6603(4) 0.8511(3) 0.0166(9) Uani 1 1 d . . . . .
H9A H 0.916815 0.591713 0.879288 0.025 Uiso 1 1 calc R U . . .
H9B H 0.904966 0.734943 0.895967 0.025 Uiso 1 1 calc R U . . .
H9C H 1.054098 0.690026 0.846740 0.025 Uiso 1 1 calc R U . . .
C10 C 0.3234(4) 0.0735(4) 0.5509(3) 0.0110(9) Uani 1 1 d . . . . .
C11 C 0.6141(4) 0.7641(4) 0.8469(3) 0.0132(9) Uani 1 1 d . . . . .
H11 H 0.710732 0.808898 0.828516 0.016 Uiso 1 1 calc R U . . .
C12 C 0.1880(4) 0.1571(4) 0.4616(3) 0.0128(9) Uani 1 1 d . . . . .
H12 H 0.169819 0.229542 0.450075 0.015 Uiso 1 1 calc R U . . .
C13 C 0.5313(4) 0.8368(4) 0.9157(3) 0.0160(9) Uani 1 1 d . . . . .
H13 H 0.571477 0.930351 0.944009 0.019 Uiso 1 1 calc R U . . .
C14 C 0.4103(4) 0.5604(4) 0.8289(3) 0.0100(8) Uani 1 1 d . . . . .
C15 C 0.0314(5) 0.0253(4) 0.8842(3) 0.0191(10) Uani 1 1 d . . . . .
C16 C 0.7642(4) 0.4598(4) 0.3792(3) 0.0117(9) Uani 1 1 d . . . . .
H16 H 0.830539 0.491182 0.335779 0.014 Uiso 1 1 calc R U . . .
C17 C 0.6959(4) 0.1671(4) 0.7871(3) 0.0154(9) Uani 1 1 d . . . . .
H17 H 0.780545 0.189156 0.841488 0.019 Uiso 1 1 calc R U . . .
C18 C 0.0998(5) 0.0309(4) 0.3973(3) 0.0161(9) Uani 1 1 d . . . . .
H18 H 0.020371 0.014767 0.341785 0.019 Uiso 1 1 calc R U . . .
C19 C 0.5889(5) 0.0398(4) 0.7397(3) 0.0179(10) Uani 1 1 d . . . . .
H19 H 0.602060 -0.025807 0.762764 0.021 Uiso 1 1 calc R U . . .
C20 C 0.7902(4) 0.3596(4) 0.4038(3) 0.0137(9) Uani 1 1 d . . . . .
H20 H 0.872937 0.321709 0.377631 0.016 Uiso 1 1 calc R U . . .
C21 C 0.1645(5) -0.0260(4) 0.8443(4) 0.0239(11) Uani 1 1 d . . . . .
H21A H 0.120864 -0.104685 0.780944 0.036 Uiso 1 1 calc R U . . .
H21B H 0.215446 -0.048891 0.895616 0.036 Uiso 1 1 calc R U . . .
H21C H 0.246232 0.041366 0.829718 0.036 Uiso 1 1 calc R U . . .
C22 C 0.3292(4) 0.6352(4) 0.8979(3) 0.0128(9) Uani 1 1 d . . . . .
H22 H 0.230209 0.591751 0.914991 0.015 Uiso 1 1 calc R U . . .
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'
S S 0.1246 0.1234 '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
N1 Co1 N2 76.51(13) . . ?
N1 Co1 N5 101.40(12) . . ?
N1 Co1 N6 171.73(13) . 2_666 ?
N2 Co1 N5 86.28(11) . . ?
N2 Co1 N6 95.70(12) . 2_666 ?
N3 Co1 N1 100.88(13) . . ?
N3 Co1 N2 175.82(12) . . ?
N3 Co1 N5 91.09(12) . . ?
N3 Co1 N6 86.74(12) . 2_666 ?
N4 Co1 N1 95.22(13) . . ?
N4 Co1 N2 105.97(11) . . ?
N4 Co1 N3 77.39(12) . . ?
N4 Co1 N5 161.35(12) . . ?
N4 Co1 N6 89.55(12) . 2_666 ?
N5 Co1 N6 75.02(11) . 2_666 ?
O1 S1 N4 106.84(16) . . ?
O1 S1 C5 106.37(19) . . ?
O2 S1 O1 115.40(17) . . ?
O2 S1 N4 114.02(18) . . ?
O2 S1 C5 106.9(2) . . ?
N4 S1 C5 106.68(18) . . ?
O3 S2 O4 115.20(16) . . ?
O3 S2 N3 107.10(17) . . ?
O3 S2 C9 106.78(19) . . ?
O4 S2 N3 113.89(17) . . ?
O4 S2 C9 105.88(18) . . ?
N3 S2 C9 107.53(18) . . ?
C2 N1 Co1 125.6(3) . . ?
C2 N1 C8 117.0(4) . . ?
C8 N1 Co1 115.6(3) . . ?
C10 N2 Co1 116.2(3) . . ?
C10 N2 C12 116.4(3) . . ?
C12 N2 Co1 127.0(3) . . ?
S2 N3 Co1 127.57(19) . . ?
C6 N3 Co1 110.2(2) . . ?
C6 N3 S2 121.4(3) . . ?
S1 N4 Co1 127.77(19) . . ?
C14 N4 Co1 112.1(2) . . ?
C14 N4 S1 120.1(3) . . ?
C1 N5 Co1 113.6(2) . . ?
C1 N5 C4 116.9(3) . . ?
C4 N5 Co1 127.2(3) . . ?
C1 N6 Co1 113.7(2) . 2_666 ?
C1 N6 C16 116.0(3) . . ?
C16 N6 Co1 128.6(3) . 2_666 ?
C19 N7 C8 115.5(4) . . ?
C10 N8 C3 115.5(4) . . ?
N5 C1 N6 126.8(3) . . ?
N5 C1 C1 117.2(4) . 2_666 ?
N6 C1 C1 116.0(4) . 2_666 ?
N1 C2 H2 119.1 . . ?
N1 C2 C17 121.8(4) . . ?
C17 C2 H2 119.1 . . ?
N8 C3 H3 118.7 . . ?
N8 C3 C18 122.5(4) . . ?
C18 C3 H3 118.7 . . ?
N5 C4 H4 119.9 . . ?
N5 C4 C20 120.3(4) . . ?
C20 C4 H4 119.9 . . ?
S1 C5 H5A 109.5 . . ?
S1 C5 H5B 109.5 . . ?
S1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N3 C6 C14 114.5(3) . . ?
C11 C6 N3 126.1(3) . . ?
C11 C6 C14 119.4(3) . . ?
C13 C7 H7 120.1 . . ?
C13 C7 C22 119.7(4) . . ?
C22 C7 H7 120.1 . . ?
N1 C8 C10 115.3(4) . . ?
N7 C8 N1 125.7(4) . . ?
N7 C8 C10 119.0(3) . . ?
S2 C9 H9A 109.5 . . ?
S2 C9 H9B 109.5 . . ?
S2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C8 114.7(3) . . ?
N8 C10 N2 126.8(4) . . ?
N8 C10 C8 118.5(4) . . ?
C6 C11 H11 119.3 . . ?
C6 C11 C13 121.4(3) . . ?
C13 C11 H11 119.3 . . ?
N2 C12 H12 119.4 . . ?
N2 C12 C18 121.1(4) . . ?
C18 C12 H12 119.4 . . ?
C7 C13 C11 119.7(4) . . ?
C7 C13 H13 120.2 . . ?
C11 C13 H13 120.2 . . ?
N4 C14 C6 114.5(3) . . ?
C22 C14 N4 127.2(3) . . ?
C22 C14 C6 118.2(4) . . ?
N9 C15 C21 179.0(5) . . ?
N6 C16 H16 119.2 . . ?
N6 C16 C20 121.6(3) . . ?
C20 C16 H16 119.2 . . ?
C2 C17 H17 121.6 . . ?
C2 C17 C19 116.8(4) . . ?
C19 C17 H17 121.6 . . ?
C3 C18 H18 121.2 . . ?
C12 C18 C3 117.6(4) . . ?
C12 C18 H18 121.2 . . ?
N7 C19 C17 123.1(4) . . ?
N7 C19 H19 118.5 . . ?
C17 C19 H19 118.5 . . ?
C4 C20 H20 120.8 . . ?
C16 C20 C4 118.4(4) . . ?
C16 C20 H20 120.8 . . ?
C15 C21 H21A 109.5 . . ?
C15 C21 H21B 109.5 . . ?
C15 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C7 C22 H22 119.3 . . ?
C14 C22 C7 121.5(3) . . ?
C14 C22 H22 119.3 . . ?
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 N1 2.116(3) . ?
Co1 N2 2.141(3) . ?
Co1 N3 2.093(3) . ?
Co1 N4 2.069(3) . ?
Co1 N5 2.202(3) . ?
Co1 N6 2.206(3) 2_666 ?
S1 O1 1.449(3) . ?
S1 O2 1.446(3) . ?
S1 N4 1.598(3) . ?
S1 C5 1.769(4) . ?
S2 O3 1.453(3) . ?
S2 O4 1.458(3) . ?
S2 N3 1.584(3) . ?
S2 C9 1.773(4) . ?
N1 C2 1.336(5) . ?
N1 C8 1.351(5) . ?
N2 C10 1.341(5) . ?
N2 C12 1.349(5) . ?
N3 C6 1.418(5) . ?
N4 C14 1.414(5) . ?
N5 C1 1.326(5) . ?
N5 C4 1.349(5) . ?
N6 C1 1.339(5) . ?
N6 C16 1.339(5) . ?
N7 C8 1.338(5) . ?
N7 C19 1.337(5) . ?
N8 C3 1.346(5) . ?
N8 C10 1.326(5) . ?
N9 C15 1.134(5) . ?
C1 C1 1.490(7) 2_666 ?
C2 H2 0.9500 . ?
C2 C17 1.371(6) . ?
C3 H3 0.9500 . ?
C3 C18 1.377(6) . ?
C4 H4 0.9500 . ?
C4 C20 1.387(5) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C11 1.383(5) . ?
C6 C14 1.425(5) . ?
C7 H7 0.9500 . ?
C7 C13 1.382(5) . ?
C7 C22 1.396(6) . ?
C8 C10 1.486(6) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C13 1.389(5) . ?
C12 H12 0.9500 . ?
C12 C18 1.375(6) . ?
C13 H13 0.9500 . ?
C14 C22 1.393(5) . ?
C15 C21 1.465(6) . ?
C16 H16 0.9500 . ?
C16 C20 1.380(6) . ?
C17 H17 0.9500 . ?
C17 C19 1.391(6) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22 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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 N1 C2 C17 162.3(3) . . . . ?
Co1 N1 C8 N7 -165.1(3) . . . . ?
Co1 N1 C8 C10 15.4(4) . . . . ?
Co1 N2 C10 N8 -176.0(3) . . . . ?
Co1 N2 C10 C8 2.9(4) . . . . ?
Co1 N2 C12 C18 174.7(3) . . . . ?
Co1 N3 C6 C11 -152.0(3) . . . . ?
Co1 N3 C6 C14 27.6(4) . . . . ?
Co1 N4 C14 C6 -20.2(4) . . . . ?
Co1 N4 C14 C22 156.4(3) . . . . ?
Co1 N5 C1 N6 164.3(3) . . . . ?
Co1 N5 C1 C1 -15.7(5) . . . 2_666 ?
Co1 N5 C4 C20 -159.8(3) . . . . ?
Co1 N6 C1 N5 164.3(3) 2_666 . . . ?
Co1 N6 C1 C1 -15.6(5) 2_666 . . 2_666 ?
Co1 N6 C16 C20 -162.0(3) 2_666 . . . ?
S1 N4 C14 C6 163.1(3) . . . . ?
S1 N4 C14 C22 -20.3(6) . . . . ?
S2 N3 C6 C11 18.3(6) . . . . ?
S2 N3 C6 C14 -162.1(3) . . . . ?
O1 S1 N4 Co1 8.5(3) . . . . ?
O1 S1 N4 C14 -175.4(3) . . . . ?
O2 S1 N4 Co1 -120.2(2) . . . . ?
O2 S1 N4 C14 55.9(4) . . . . ?
O3 S2 N3 Co1 -21.3(3) . . . . ?
O3 S2 N3 C6 170.3(3) . . . . ?
O4 S2 N3 Co1 107.3(2) . . . . ?
O4 S2 N3 C6 -61.1(4) . . . . ?
N1 C2 C17 C19 1.4(6) . . . . ?
N1 C8 C10 N2 -12.1(5) . . . . ?
N1 C8 C10 N8 166.9(3) . . . . ?
N2 C12 C18 C3 -0.4(5) . . . . ?
N3 C6 C11 C13 -177.8(4) . . . . ?
N3 C6 C14 N4 -5.3(5) . . . . ?
N3 C6 C14 C22 177.8(4) . . . . ?
N4 C14 C22 C7 -176.3(4) . . . . ?
N5 C4 C20 C16 -1.8(6) . . . . ?
N6 C16 C20 C4 -0.3(6) . . . . ?
N7 C8 C10 N2 168.3(3) . . . . ?
N7 C8 C10 N8 -12.7(5) . . . . ?
N8 C3 C18 C12 -1.0(6) . . . . ?
C1 N5 C4 C20 1.8(5) . . . . ?
C1 N6 C16 C20 2.1(6) . . . . ?
C2 N1 C8 N7 0.4(6) . . . . ?
C2 N1 C8 C10 -179.1(3) . . . . ?
C2 C17 C19 N7 -0.1(6) . . . . ?
C3 N8 C10 N2 1.1(5) . . . . ?
C3 N8 C10 C8 -177.8(3) . . . . ?
C4 N5 C1 N6 0.3(6) . . . . ?
C4 N5 C1 C1 -179.8(4) . . . 2_666 ?
C5 S1 N4 Co1 122.0(2) . . . . ?
C5 S1 N4 C14 -61.9(3) . . . . ?
C6 C11 C13 C7 -0.3(6) . . . . ?
C6 C14 C22 C7 0.2(6) . . . . ?
C8 N1 C2 C17 -1.6(5) . . . . ?
C8 N7 C19 C17 -0.9(6) . . . . ?
C9 S2 N3 Co1 -135.7(2) . . . . ?
C9 S2 N3 C6 55.9(4) . . . . ?
C10 N2 C12 C18 2.0(5) . . . . ?
C10 N8 C3 C18 0.7(5) . . . . ?
C11 C6 C14 N4 174.4(4) . . . . ?
C11 C6 C14 C22 -2.6(6) . . . . ?
C12 N2 C10 N8 -2.5(5) . . . . ?
C12 N2 C10 C8 176.4(3) . . . . ?
C13 C7 C22 C14 2.1(6) . . . . ?
C14 C6 C11 C13 2.6(6) . . . . ?
C16 N6 C1 N5 -2.2(6) . . . . ?
C16 N6 C1 C1 177.8(4) . . . 2_666 ?
C19 N7 C8 N1 0.8(6) . . . . ?
C19 N7 C8 C10 -179.7(3) . . . . ?
C22 C7 C13 C11 -2.1(6) . . . . ?
