#------------------------------------------------------------------------------
#$Date: 2023-08-25 02:02:21 +0300 (Fri, 25 Aug 2023) $
#$Revision: 285868 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/37/7713790.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_7713790
loop_
_publ_author_name
'Fu, Yuan'
'Tang, Jian'
'Hua, Jing'
_publ_section_title
;
 Ultrahigh Activity and Broad Temperature Resistance of Amine-Imine Cobalt
 Precatalysts for Butadiene Polymerization
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02460A
_journal_year                    2023
_chemical_formula_moiety         'C23 H32 Cl2 Co N2'
_chemical_formula_sum            'C23 H32 Cl2 Co N2'
_chemical_formula_weight         466.33
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2023-08-17
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-08-18 deposited with the CCDC.	2023-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.415(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3734(16)
_cell_length_b                   14.684(2)
_cell_length_c                   15.247(2)
_cell_measurement_reflns_used    4871
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      24.651
_cell_measurement_theta_min      2.342
_cell_volume                     2416.0(6)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'Bruker SMART APEX II diffractrometer'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293.15
_diffrn_detector                 'CCD area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_av_unetI/netI     0.0559
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16686
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.041
_diffrn_reflns_theta_max         25.041
_diffrn_reflns_theta_min         1.966
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_target            Mo
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.942
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.4394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1021 before and 0.0574 after correction.
The Ratio of minimum to maximum transmission is 0.5896.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light blue'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_description       block
_exptl_crystal_F_000             980
_exptl_crystal_recrystallization_method
'The crystals were growth by means of evaporation of a mixture of n-hexane and toluene at RT.'
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.686
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4268
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0632
_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)+(0.0306P)²+5.2205P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1185
_refine_ls_wR_factor_ref         0.1317
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3063
_reflns_number_total             4268
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02460a2.cif
_cod_data_source_block           2262742
_cod_database_code               7713790
_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_max   0.903
_shelx_estimated_absorpt_t_min   0.792
_exptl_crystal_mounting_method
'Crystals were removed from the crystallisation vial and immediately coated with polybutenes oil (CAS: 9003-29-6) on a glass slide. A suitable single crystal coated with polybutenes oil was sealed in capillary tube filled with argon. The capillary tube with single crystal was mounted on copper pin with solid paraffin.'
_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:
 C3(H3), C5(H5), C17(H17), C19(H19)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C),
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C21(H21A,H21B,H21C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
Co01 Co 0.68070(6) 0.51823(4) 0.79486(4) 0.03862(19) Uani 1 1 d . . . . .
Cl1 Cl 0.80232(13) 0.61651(10) 0.89361(10) 0.0677(4) Uani 1 1 d . . . . .
Cl2 Cl 0.49254(12) 0.57026(9) 0.72709(9) 0.0607(4) Uani 1 1 d . . . . .
N1 N 0.7804(3) 0.4460(2) 0.7305(2) 0.0400(9) Uani 1 1 d . . . . .
N2 N 0.6990(4) 0.3993(3) 0.8739(3) 0.0440(10) Uani 1 1 d . . . . .
C1 C 0.8103(4) 0.4829(3) 0.6517(3) 0.0404(11) Uani 1 1 d . . . . .
C2 C 0.9176(4) 0.5336(3) 0.6663(3) 0.0449(12) Uani 1 1 d . . . . .
C3 C 0.9373(5) 0.5751(3) 0.5901(4) 0.0506(13) Uani 1 1 d . . . . .
H3 H 1.008451 0.609820 0.598818 0.061 Uiso 1 1 calc R U . . .
C4 C 0.8546(5) 0.5665(3) 0.5016(3) 0.0486(12) Uani 1 1 d . . . . .
C5 C 0.7514(5) 0.5130(3) 0.4904(3) 0.0490(12) Uani 1 1 d . . . . .
H5 H 0.695884 0.505537 0.431235 0.059 Uiso 1 1 calc R U . . .
C6 C 0.7269(4) 0.4699(3) 0.5637(3) 0.0417(11) Uani 1 1 d . . . . .
C7 C 1.0123(5) 0.5430(4) 0.7605(4) 0.0665(16) Uani 1 1 d . . . . .
H7A H 0.973763 0.568520 0.802600 0.100 Uiso 1 1 calc R U . . .
H7B H 1.077947 0.582305 0.756735 0.100 Uiso 1 1 calc R U . . .
H7C H 1.045554 0.484120 0.782332 0.100 Uiso 1 1 calc R U . . .
C8 C 0.8755(6) 0.6150(4) 0.4211(4) 0.0699(17) Uani 1 1 d . . . . .
H8A H 0.845702 0.676472 0.418661 0.105 Uiso 1 1 calc R U . . .
H8B H 0.831627 0.584041 0.364869 0.105 Uiso 1 1 calc R U . . .
H8C H 0.962452 0.615673 0.428415 0.105 Uiso 1 1 calc R U . . .
C9 C 0.6127(5) 0.4116(4) 0.5464(3) 0.0556(14) Uani 1 1 d . . . . .
H9A H 0.635951 0.352413 0.572837 0.083 Uiso 1 1 calc R U . . .
H9B H 0.572490 0.405860 0.481042 0.083 Uiso 1 1 calc R U . . .
H9C H 0.557006 0.439569 0.574333 0.083 Uiso 1 1 calc R U . . .
C10 C 0.8218(4) 0.3688(3) 0.7663(3) 0.0405(11) Uani 1 1 d . . . . .
C11 C 0.8968(5) 0.3079(3) 0.7271(4) 0.0571(14) Uani 1 1 d . . . . .
H11A H 0.844416 0.261619 0.690231 0.086 Uiso 1 1 calc R U . . .
H11B H 0.960941 0.279862 0.776523 0.086 Uiso 1 1 calc R U . . .
H11C H 0.933463 0.342860 0.689351 0.086 Uiso 1 1 calc R U . . .
C12 C 0.7986(4) 0.3400(3) 0.8559(3) 0.0476(12) Uani 1 1 d . . . . .
C13 C 0.9227(5) 0.3645(4) 0.9321(4) 0.0708(17) Uani 1 1 d . . . . .
H13A H 0.933710 0.429350 0.934469 0.106 Uiso 1 1 calc R U . . .
H13B H 0.990466 0.336175 0.917748 0.106 Uiso 1 1 calc R U . . .
H13C H 0.920166 0.342961 0.990922 0.106 Uiso 1 1 calc R U . . .
C14 C 0.7736(5) 0.2382(3) 0.8605(4) 0.0629(15) Uani 1 1 d . . . . .
H14A H 0.753898 0.225205 0.916019 0.094 Uiso 1 1 calc R U . . .
H14B H 0.845945 0.204399 0.860729 0.094 Uiso 1 1 calc R U . . .
H14C H 0.705160 0.220877 0.807766 0.094 Uiso 1 1 calc R U . . .
C15 C 0.5863(4) 0.3590(3) 0.8834(3) 0.0423(11) Uani 1 1 d . . . . .
C16 C 0.4958(4) 0.3222(3) 0.8084(3) 0.0450(12) Uani 1 1 d . . . . .
C17 C 0.3889(5) 0.2872(3) 0.8222(4) 0.0515(13) Uani 1 1 d . . . . .
H17 H 0.328538 0.261416 0.772232 0.062 Uiso 1 1 calc R U . . .
C18 C 0.3693(5) 0.2895(4) 0.9070(4) 0.0550(13) Uani 1 1 d . . . . .
C19 C 0.4595(5) 0.3299(4) 0.9789(4) 0.0563(14) Uani 1 1 d . . . . .
H19 H 0.446805 0.334198 1.036102 0.068 Uiso 1 1 calc R U . . .
C20 C 0.5685(5) 0.3644(4) 0.9696(3) 0.0525(13) Uani 1 1 d . . . . .
C21 C 0.5036(5) 0.3199(4) 0.7119(3) 0.0601(14) Uani 1 1 d . . . . .
H21A H 0.489509 0.379921 0.685732 0.090 Uiso 1 1 calc R U . . .
H21B H 0.441903 0.279057 0.674781 0.090 Uiso 1 1 calc R U . . .
H21C H 0.584364 0.299261 0.713568 0.090 Uiso 1 1 calc R U . . .
C22 C 0.2548(6) 0.2477(5) 0.9197(5) 0.088(2) Uani 1 1 d . . . . .
H22A H 0.199747 0.228631 0.860788 0.133 Uiso 1 1 calc R U . . .
H22B H 0.213829 0.291841 0.946363 0.133 Uiso 1 1 calc R U . . .
H22C H 0.277703 0.195966 0.960013 0.133 Uiso 1 1 calc R U . . .
C23 C 0.6636(6) 0.4070(5) 1.0534(4) 0.0802(19) Uani 1 1 d . . . . .
H23A H 0.740793 0.374938 1.066388 0.120 Uiso 1 1 calc R U . . .
H23B H 0.634359 0.403067 1.105833 0.120 Uiso 1 1 calc R U . . .
H23C H 0.675512 0.469706 1.040669 0.120 Uiso 1 1 calc R U . . .
H2 H 0.737(4) 0.427(3) 0.926(3) 0.048(15) Uiso 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'
Cl Cl 0.1484 0.1585 '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'
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
Cl2 Co01 Cl1 113.42(6) . . ?
N1 Co01 Cl1 110.17(11) . . ?
N1 Co01 Cl2 124.54(11) . . ?
N1 Co01 N2 82.67(15) . . ?
N2 Co01 Cl1 102.95(13) . . ?
N2 Co01 Cl2 117.73(12) . . ?
C1 N1 Co01 121.4(3) . . ?
C10 N1 Co01 116.4(3) . . ?
C10 N1 C1 122.1(4) . . ?
Co01 N2 H2 94(3) . . ?
C12 N2 Co01 108.5(3) . . ?
C12 N2 H2 105(3) . . ?
C15 N2 Co01 117.6(3) . . ?
C15 N2 C12 120.9(4) . . ?
C15 N2 H2 107(3) . . ?
C2 C1 N1 119.4(4) . . ?
C2 C1 C6 121.7(4) . . ?
C6 C1 N1 118.8(4) . . ?
C1 C2 C3 117.8(4) . . ?
C1 C2 C7 122.1(4) . . ?
C3 C2 C7 120.1(5) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 C2 122.3(5) . . ?
C4 C3 H3 118.8 . . ?
C3 C4 C8 121.2(5) . . ?
C5 C4 C3 117.6(4) . . ?
C5 C4 C8 121.2(5) . . ?
C4 C5 H5 118.6 . . ?
C4 C5 C6 122.7(5) . . ?
C6 C5 H5 118.6 . . ?
C1 C6 C9 122.3(4) . . ?
C5 C6 C1 117.7(4) . . ?
C5 C6 C9 120.0(4) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 C11 122.8(4) . . ?
N1 C10 C12 118.7(4) . . ?
C11 C10 C12 118.4(4) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C10 110.6(4) . . ?
N2 C12 C13 106.5(4) . . ?
N2 C12 C14 113.0(4) . . ?
C10 C12 C13 103.3(4) . . ?
C14 C12 C10 113.5(4) . . ?
C14 C12 C13 109.2(4) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 N2 121.6(4) . . ?
C16 C15 C20 120.6(4) . . ?
C20 C15 N2 117.7(4) . . ?
C15 C16 C17 118.4(4) . . ?
C15 C16 C21 124.0(4) . . ?
C17 C16 C21 117.6(5) . . ?
C16 C17 H17 118.7 . . ?
C18 C17 C16 122.6(5) . . ?
C18 C17 H17 118.7 . . ?
C17 C18 C22 120.8(5) . . ?
C19 C18 C17 117.2(5) . . ?
C19 C18 C22 122.0(5) . . ?
C18 C19 H19 118.6 . . ?
C18 C19 C20 122.7(5) . . ?
C20 C19 H19 118.6 . . ?
C15 C20 C23 122.5(5) . . ?
C19 C20 C15 118.5(5) . . ?
C19 C20 C23 119.0(5) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
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
Co01 Cl1 2.2243(14) . ?
Co01 Cl2 2.1986(14) . ?
Co01 N1 2.019(4) . ?
Co01 N2 2.095(4) . ?
N1 C1 1.453(5) . ?
N1 C10 1.283(5) . ?
N2 C12 1.520(6) . ?
N2 C15 1.460(6) . ?
N2 H2 0.87(5) . ?
C1 C2 1.386(6) . ?
C1 C6 1.391(6) . ?
C2 C3 1.392(6) . ?
C2 C7 1.505(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.385(7) . ?
C4 C5 1.376(7) . ?
C4 C8 1.502(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.387(6) . ?
C6 C9 1.507(6) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.485(6) . ?
C10 C12 1.530(6) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.560(7) . ?
C12 C14 1.529(7) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.384(6) . ?
C15 C20 1.394(7) . ?
C16 C17 1.395(7) . ?
C16 C21 1.502(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.382(7) . ?
C18 C19 1.376(7) . ?
C18 C22 1.507(7) . ?
C19 H19 0.9300 . ?
C19 C20 1.387(7) . ?
C20 C23 1.523(7) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
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
Co01 N1 C1 C2 88.8(5) . . . . ?
Co01 N1 C1 C6 -88.0(4) . . . . ?
Co01 N1 C10 C11 -179.9(4) . . . . ?
Co01 N1 C10 C12 -3.0(5) . . . . ?
Co01 N2 C12 C10 -18.6(4) . . . . ?
Co01 N2 C12 C13 93.0(4) . . . . ?
Co01 N2 C12 C14 -147.1(4) . . . . ?
Co01 N2 C15 C16 66.2(5) . . . . ?
Co01 N2 C15 C20 -109.5(4) . . . . ?
N1 C1 C2 C3 -174.0(4) . . . . ?
N1 C1 C2 C7 7.3(7) . . . . ?
N1 C1 C6 C5 173.9(4) . . . . ?
N1 C1 C6 C9 -5.9(7) . . . . ?
N1 C10 C12 N2 15.1(6) . . . . ?
N1 C10 C12 C13 -98.5(5) . . . . ?
N1 C10 C12 C14 143.4(4) . . . . ?
N2 C15 C16 C17 -178.2(4) . . . . ?
N2 C15 C16 C21 -0.1(7) . . . . ?
N2 C15 C20 C19 177.3(4) . . . . ?
N2 C15 C20 C23 -2.3(7) . . . . ?
C1 N1 C10 C11 -4.0(7) . . . . ?
C1 N1 C10 C12 172.9(4) . . . . ?
C1 C2 C3 C4 -0.5(7) . . . . ?
C2 C1 C6 C5 -2.8(7) . . . . ?
C2 C1 C6 C9 177.4(4) . . . . ?
C2 C3 C4 C5 -1.4(7) . . . . ?
C2 C3 C4 C8 177.5(5) . . . . ?
C3 C4 C5 C6 1.3(7) . . . . ?
C4 C5 C6 C1 0.8(7) . . . . ?
C4 C5 C6 C9 -179.5(4) . . . . ?
C6 C1 C2 C3 2.7(7) . . . . ?
C6 C1 C2 C7 -176.0(5) . . . . ?
C7 C2 C3 C4 178.2(5) . . . . ?
C8 C4 C5 C6 -177.6(5) . . . . ?
C10 N1 C1 C2 -86.9(5) . . . . ?
C10 N1 C1 C6 96.3(5) . . . . ?
C11 C10 C12 N2 -167.9(4) . . . . ?
C11 C10 C12 C13 78.5(5) . . . . ?
C11 C10 C12 C14 -39.6(6) . . . . ?
C12 N2 C15 C16 -70.8(6) . . . . ?
C12 N2 C15 C20 113.4(5) . . . . ?
C15 N2 C12 C10 121.9(4) . . . . ?
C15 N2 C12 C13 -126.5(5) . . . . ?
C15 N2 C12 C14 -6.6(6) . . . . ?
C15 C16 C17 C18 1.1(7) . . . . ?
C16 C15 C20 C19 1.6(7) . . . . ?
C16 C15 C20 C23 -178.1(5) . . . . ?
C16 C17 C18 C19 1.3(8) . . . . ?
C16 C17 C18 C22 -177.6(5) . . . . ?
C17 C18 C19 C20 -2.3(8) . . . . ?
C18 C19 C20 C15 1.0(8) . . . . ?
C18 C19 C20 C23 -179.4(5) . . . . ?
C20 C15 C16 C17 -2.6(7) . . . . ?
C20 C15 C16 C21 175.5(5) . . . . ?
C21 C16 C17 C18 -177.0(5) . . . . ?
C22 C18 C19 C20 176.5(5) . . . . ?
