#------------------------------------------------------------------------------
#$Date: 2025-11-29 23:17:40 +0100 (Sat 29 de Nov de 2025) $
#$Revision: 303968 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/60/1576028.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_1576028
loop_
_publ_author_name
'Fan, Huijun'
'Ma, Mengya'
'Dai, Shengyu'
_publ_section_title
;
 Enhanced suppression of chain transfer in ethylene (co)polymerization via
 synergistic axial substituent effects in pyridine-imine Ni(ii) and Pd(ii)
 catalysts
;
_journal_issue                   43
_journal_name_full               'Polymer Chemistry'
_journal_page_first              4764
_journal_page_last               4773
_journal_paper_doi               10.1039/D5PY00857C
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C25 H23 Cl N2 Pd'
_chemical_formula_weight         493.30
_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
_audit_update_record
;
2025-05-06 deposited with the CCDC.	2025-10-13 downloaded from the CCDC.
;
_cell_angle_alpha                103.390(3)
_cell_angle_beta                 98.220(2)
_cell_angle_gamma                103.075(3)
_cell_formula_units_Z            2
_cell_length_a                   8.2420(8)
_cell_length_b                   9.4049(9)
_cell_length_c                   15.0201(14)
_cell_measurement_reflns_used    3096
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.054
_cell_measurement_theta_min      2.973
_cell_volume                     1079.57(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0419
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5234
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    0.997
_exptl_absorpt_correction_T_max  0.8814
_exptl_absorpt_correction_T_min  0.7542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_meas      1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.850
_refine_diff_density_min         -1.938
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         3731
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0698
_refine_ls_R_factor_gt           0.0626
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1236P)²+1.4342P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1731
_refine_ls_wR_factor_ref         0.1800
_reflns_number_gt                3238
_reflns_number_total             3731
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d5py00857c2.cif
_cod_data_source_block           220627h
_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/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1576028--1576029.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1576028
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.14204(5) -0.00384(5) 0.13702(3) 0.0400(2) Uani 1 1 d . . .
Cl1 Cl 0.2856(4) -0.1551(3) 0.0529(2) 0.0385(5) Uani 0.678(5) 1 d PU A 1
Cl1' Cl 0.0555(9) -0.1781(10) 0.2130(6) 0.0385(5) Uani 0.322(5) 1 d P A 2
N1 N 0.2047(6) 0.1732(6) 0.0749(3) 0.0424(11) Uani 1 1 d . A .
N2 N 0.0215(6) 0.1456(6) 0.2026(3) 0.0387(11) Uani 1 1 d . A .
C1 C 0.3078(9) 0.1843(8) 0.0135(5) 0.0518(16) Uani 1 1 d . . .
H1 H 0.3607 0.1077 -0.0038 0.062 Uiso 1 1 calc R A .
C2 C 0.3377(10) 0.3070(9) -0.0249(5) 0.0625(19) Uani 1 1 d . A .
H2 H 0.4082 0.3111 -0.0679 0.075 Uiso 1 1 calc R . .
C3 C 0.2611(10) 0.4227(9) 0.0017(5) 0.0592(19) Uani 1 1 d . . .
H3 H 0.2795 0.5058 -0.0228 0.071 Uiso 1 1 calc R A .
C4 C 0.1561(9) 0.4114(8) 0.0659(5) 0.0501(15) Uani 1 1 d . A .
H4 H 0.1031 0.4874 0.0849 0.060 Uiso 1 1 calc R . .
C5 C 0.1306(8) 0.2859(7) 0.1018(4) 0.0416(13) Uani 1 1 d . . .
C6 C 0.0254(7) 0.2667(7) 0.1734(4) 0.0395(13) Uani 1 1 d . A .
C7 C -0.0699(10) 0.3799(8) 0.2045(5) 0.0548(17) Uani 1 1 d . . .
H7A H -0.1669 0.3653 0.1563 0.082 Uiso 1 1 calc R A .
H7B H 0.0031 0.4806 0.2168 0.082 Uiso 1 1 calc R . .
H7C H -0.1073 0.3668 0.2605 0.082 Uiso 1 1 calc R . .
C8 C -0.0858(7) 0.1170(7) 0.2705(4) 0.0401(13) Uani 1 1 d . . .
C9 C -0.2553(8) 0.0542(7) 0.2328(5) 0.0492(15) Uani 1 1 d . A .
H9 H -0.2936 0.0295 0.1684 0.059 Uiso 1 1 calc R . .
C10 C -0.3742(9) 0.0261(8) 0.2911(6) 0.0555(17) Uani 1 1 d . . .
H10 H -0.4893 -0.0174 0.2650 0.067 Uiso 1 1 calc R A .
C11 C -0.3179(9) 0.0633(9) 0.3845(6) 0.0588(18) Uani 1 1 d . A .
H11 H -0.3953 0.0446 0.4226 0.071 Uiso 1 1 calc R . .
C12 C -0.1418(9) 0.1309(8) 0.4260(5) 0.0529(16) Uani 1 1 d . . .
C13 C -0.0169(8) 0.1582(7) 0.3680(4) 0.0435(13) Uani 1 1 d . A .
C14 C 0.1604(8) 0.2220(8) 0.4163(5) 0.0478(15) Uani 1 1 d . . .
C15 C 0.2010(10) 0.2645(11) 0.5127(5) 0.069(2) Uani 1 1 d . A .
H15 H 0.3140 0.3112 0.5424 0.083 Uiso 1 1 calc R . .
C16 C 0.0796(12) 0.2405(12) 0.5679(6) 0.080(3) Uani 1 1 d . . .
H16 H 0.1121 0.2710 0.6327 0.096 Uiso 1 1 calc R A .
C17 C -0.0877(11) 0.1717(11) 0.5253(5) 0.072(2) Uani 1 1 d . A .
H17 H -0.1674 0.1511 0.5619 0.086 Uiso 1 1 calc R . .
C18 C 0.3104(8) 0.2384(8) 0.3669(5) 0.0451(14) Uani 1 1 d . A .
H18A H 0.4077 0.2316 0.4088 0.054 Uiso 1 1 calc R . .
H18B H 0.2831 0.1513 0.3126 0.054 Uiso 1 1 calc R . .
C19 C 0.3667(7) 0.3800(7) 0.3341(4) 0.0425(14) Uani 1 1 d . . .
C20 C 0.3086(10) 0.5096(8) 0.3586(5) 0.0564(17) Uani 1 1 d . A .
H20 H 0.2319 0.5130 0.3983 0.068 Uiso 1 1 calc R . .
C21 C 0.3642(12) 0.6337(9) 0.3241(6) 0.071(2) Uani 1 1 d . . .
H21 H 0.3245 0.7190 0.3412 0.085 Uiso 1 1 calc R A .
C22 C 0.4796(11) 0.6310(9) 0.2640(6) 0.065(2) Uani 1 1 d . A .
H22 H 0.5159 0.7134 0.2406 0.078 Uiso 1 1 calc R . .
C23 C 0.5376(10) 0.5047(9) 0.2404(5) 0.0589(18) Uani 1 1 d . . .
H23 H 0.6150 0.5022 0.2010 0.071 Uiso 1 1 calc R A .
C24 C 0.4829(9) 0.3805(8) 0.2741(5) 0.0505(15) Uani 1 1 d . A .
H24 H 0.5239 0.2960 0.2567 0.061 Uiso 1 1 calc R . .
C25 C 0.079(2) -0.183(2) 0.2075(13) 0.0385(5) Uani 0.678(5) 1 d P A 1
H25A H 0.1467 -0.1504 0.2699 0.058 Uiso 0.678(5) 1 calc PR A 1
H25B H 0.1028 -0.2736 0.1733 0.058 Uiso 0.678(5) 1 calc PR A 1
H25C H -0.0393 -0.2047 0.2100 0.058 Uiso 0.678(5) 1 calc PR A 1
C25' C 0.273(5) -0.182(4) 0.069(2) 0.0385(5) Uani 0.322(5) 1 d P A 2
H25D H 0.3516 -0.1981 0.1169 0.058 Uiso 0.322(5) 1 calc PR A 2
H25E H 0.3330 -0.1452 0.0252 0.058 Uiso 0.322(5) 1 calc PR A 2
H25F H 0.1884 -0.2753 0.0374 0.058 Uiso 0.322(5) 1 calc PR A 2
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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
N2 Pd1 N1 78.74(19) . . ?
N2 Pd1 C25 99.8(4) . . ?
N1 Pd1 C25 177.8(5) . . ?
N2 Pd1 Cl1' 94.3(2) . . ?
N1 Pd1 Cl1' 173.1(2) . . ?
C25 Pd1 Cl1' 5.9(5) . . ?
N2 Pd1 C25' 176.4(7) . . ?
N1 Pd1 C25' 104.8(8) . . ?
C25 Pd1 C25' 76.6(8) . . ?
Cl1' Pd1 C25' 82.1(8) . . ?
N2 Pd1 Cl1 173.78(14) . . ?
N1 Pd1 Cl1 95.07(15) . . ?
C25 Pd1 Cl1 86.4(4) . . ?
Cl1' Pd1 Cl1 91.86(17) . . ?
C25' Pd1 Cl1 9.8(7) . . ?
C1 N1 C5 119.0(6) . . ?
C1 N1 Pd1 127.1(5) . . ?
C5 N1 Pd1 113.8(4) . . ?
C6 N2 C8 118.2(5) . . ?
C6 N2 Pd1 116.6(4) . . ?
C8 N2 Pd1 124.8(4) . . ?
N1 C1 C2 122.1(7) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
C3 C2 C1 119.3(7) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 118.4(7) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C3 C4 C5 119.8(7) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
N1 C5 C4 121.4(6) . . ?
N1 C5 C6 115.0(5) . . ?
C4 C5 C6 123.6(6) . . ?
N2 C6 C7 124.7(6) . . ?
N2 C6 C5 115.6(5) . . ?
C7 C6 C5 119.7(5) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C13 123.1(6) . . ?
C9 C8 N2 115.0(5) . . ?
C13 C8 N2 121.8(5) . . ?
C8 C9 C10 120.8(6) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C11 C10 C9 119.3(6) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C10 C11 C12 121.3(6) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C17 C12 C11 119.6(7) . . ?
C17 C12 C13 119.7(7) . . ?
C11 C12 C13 120.6(6) . . ?
C8 C13 C14 128.4(6) . . ?
C8 C13 C12 114.9(6) . . ?
C14 C13 C12 116.8(6) . . ?
C15 C14 C13 119.7(6) . . ?
C15 C14 C18 116.1(6) . . ?
C13 C14 C18 124.1(6) . . ?
C14 C15 C16 122.9(8) . . ?
C14 C15 H15 118.5 . . ?
C16 C15 H15 118.5 . . ?
C17 C16 C15 119.4(7) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C16 C17 C12 121.2(7) . . ?
C16 C17 H17 119.4 . . ?
C12 C17 H17 119.4 . . ?
C19 C18 C14 119.3(5) . . ?
C19 C18 H18A 107.5 . . ?
C14 C18 H18A 107.5 . . ?
C19 C18 H18B 107.5 . . ?
C14 C18 H18B 107.5 . . ?
H18A C18 H18B 107.0 . . ?
C20 C19 C24 117.4(6) . . ?
C20 C19 C18 124.4(6) . . ?
C24 C19 C18 118.2(6) . . ?
C21 C20 C19 120.8(7) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C20 C21 C22 120.6(7) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C23 C22 C21 118.8(7) . . ?
C23 C22 H22 120.6 . . ?
C21 C22 H22 120.6 . . ?
C22 C23 C24 121.1(7) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 H23 119.4 . . ?
C23 C24 C19 121.3(7) . . ?
C23 C24 H24 119.4 . . ?
C19 C24 H24 119.4 . . ?
Pd1 C25 H25A 109.5 . . ?
Pd1 C25 H25B 109.5 . . ?
Pd1 C25 H25C 109.5 . . ?
Pd1 C25' H25D 109.5 . . ?
Pd1 C25' H25E 109.5 . . ?
H25D C25' H25E 109.5 . . ?
Pd1 C25' H25F 109.5 . . ?
H25D C25' H25F 109.5 . . ?
H25E C25' H25F 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
Pd1 N2 2.050(5) . ?
Pd1 N1 2.092(5) . ?
Pd1 C25 2.198(19) . ?
Pd1 Cl1' 2.252(9) . ?
Pd1 C25' 2.31(3) . ?
Pd1 Cl1 2.318(3) . ?
N1 C1 1.346(8) . ?
N1 C5 1.351(8) . ?
N2 C6 1.308(8) . ?
N2 C8 1.473(7) . ?
C1 C2 1.395(10) . ?
C1 H1 0.9300 . ?
C2 C3 1.387(11) . ?
C2 H2 0.9300 . ?
C3 C4 1.392(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.393(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.492(8) . ?
C6 C7 1.491(9) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.367(9) . ?
C8 C13 1.421(9) . ?
C9 C10 1.426(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.348(11) . ?
C10 H10 0.9300 . ?
C11 C12 1.428(11) . ?
C11 H11 0.9300 . ?
C12 C17 1.428(10) . ?
C12 C13 1.457(9) . ?
C13 C14 1.456(9) . ?
C14 C15 1.379(10) . ?
C14 C18 1.527(9) . ?
C15 C16 1.400(12) . ?
C15 H15 0.9300 . ?
C16 C17 1.371(12) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.524(9) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.399(9) . ?
C19 C24 1.406(9) . ?
C20 C21 1.395(12) . ?
C20 H20 0.9300 . ?
C21 C22 1.402(12) . ?
C21 H21 0.9300 . ?
C22 C23 1.370(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.387(10) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C25' H25D 0.9600 . ?
C25' H25E 0.9600 . ?
C25' H25F 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
N2 Pd1 N1 C1 175.8(6) . . . . ?
C25 Pd1 N1 C1 127(10) . . . . ?
Cl1' Pd1 N1 C1 179(2) . . . . ?
C25' Pd1 N1 C1 -3.9(10) . . . . ?
Cl1 Pd1 N1 C1 -4.8(6) . . . . ?
N2 Pd1 N1 C5 -4.1(4) . . . . ?
C25 Pd1 N1 C5 -52(10) . . . . ?
Cl1' Pd1 N1 C5 -1(2) . . . . ?
C25' Pd1 N1 C5 176.3(10) . . . . ?
Cl1 Pd1 N1 C5 175.3(4) . . . . ?
N1 Pd1 N2 C6 5.1(4) . . . . ?
C25 Pd1 N2 C6 -176.6(6) . . . . ?
Cl1' Pd1 N2 C6 -174.5(5) . . . . ?
C25' Pd1 N2 C6 180(100) . . . . ?
Cl1 Pd1 N2 C6 -0.5(17) . . . . ?
N1 Pd1 N2 C8 176.9(5) . . . . ?
C25 Pd1 N2 C8 -4.7(6) . . . . ?
Cl1' Pd1 N2 C8 -2.7(5) . . . . ?
C25' Pd1 N2 C8 -8(14) . . . . ?
Cl1 Pd1 N2 C8 171.3(12) . . . . ?
C5 N1 C1 C2 -1.5(10) . . . . ?
Pd1 N1 C1 C2 178.7(5) . . . . ?
N1 C1 C2 C3 1.0(11) . . . . ?
C1 C2 C3 C4 -0.3(11) . . . . ?
C2 C3 C4 C5 0.1(11) . . . . ?
C1 N1 C5 C4 1.3(9) . . . . ?
Pd1 N1 C5 C4 -178.8(5) . . . . ?
C1 N1 C5 C6 -177.2(5) . . . . ?
Pd1 N1 C5 C6 2.7(6) . . . . ?
C3 C4 C5 N1 -0.6(10) . . . . ?
C3 C4 C5 C6 177.7(6) . . . . ?
C8 N2 C6 C7 0.6(9) . . . . ?
Pd1 N2 C6 C7 173.0(5) . . . . ?
C8 N2 C6 C5 -177.5(5) . . . . ?
Pd1 N2 C6 C5 -5.1(7) . . . . ?
N1 C5 C6 N2 1.5(8) . . . . ?
C4 C5 C6 N2 -176.9(6) . . . . ?
N1 C5 C6 C7 -176.7(5) . . . . ?
C4 C5 C6 C7 4.9(9) . . . . ?
C6 N2 C8 C9 79.7(7) . . . . ?
Pd1 N2 C8 C9 -92.0(6) . . . . ?
C6 N2 C8 C13 -97.8(7) . . . . ?
Pd1 N2 C8 C13 90.5(6) . . . . ?
C13 C8 C9 C10 -0.1(10) . . . . ?
N2 C8 C9 C10 -177.6(6) . . . . ?
C8 C9 C10 C11 0.5(10) . . . . ?
C9 C10 C11 C12 0.3(11) . . . . ?
C10 C11 C12 C17 178.7(7) . . . . ?
C10 C11 C12 C13 -1.5(11) . . . . ?
C9 C8 C13 C14 178.3(6) . . . . ?
N2 C8 C13 C14 -4.3(10) . . . . ?
C9 C8 C13 C12 -1.1(9) . . . . ?
N2 C8 C13 C12 176.2(5) . . . . ?
C17 C12 C13 C8 -178.4(7) . . . . ?
C11 C12 C13 C8 1.9(9) . . . . ?
C17 C12 C13 C14 2.2(10) . . . . ?
C11 C12 C13 C14 -177.6(7) . . . . ?
C8 C13 C14 C15 175.5(7) . . . . ?
C12 C13 C14 C15 -5.1(10) . . . . ?
C8 C13 C14 C18 -8.0(11) . . . . ?
C12 C13 C14 C18 171.5(6) . . . . ?
C13 C14 C15 C16 4.2(13) . . . . ?
C18 C14 C15 C16 -172.7(9) . . . . ?
C14 C15 C16 C17 0.1(16) . . . . ?
C15 C16 C17 C12 -3.2(15) . . . . ?
C11 C12 C17 C16 -178.2(8) . . . . ?
C13 C12 C17 C16 2.0(13) . . . . ?
C15 C14 C18 C19 -96.6(8) . . . . ?
C13 C14 C18 C19 86.7(8) . . . . ?
C14 C18 C19 C20 10.6(9) . . . . ?
C14 C18 C19 C24 -168.4(6) . . . . ?
C24 C19 C20 C21 0.2(10) . . . . ?
C18 C19 C20 C21 -178.8(7) . . . . ?
C19 C20 C21 C22 0.1(12) . . . . ?
C20 C21 C22 C23 -0.5(13) . . . . ?
C21 C22 C23 C24 0.6(12) . . . . ?
C22 C23 C24 C19 -0.3(11) . . . . ?
C20 C19 C24 C23 -0.1(10) . . . . ?
C18 C19 C24 C23 179.0(6) . . . . ?
