#------------------------------------------------------------------------------
#$Date: 2021-04-05 18:22:30 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263860 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/03/1560321.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_1560321
loop_
_publ_author_name
'Ma, Xin'
'Zhang, Yixin'
'Jian, Zhongbao'
_publ_section_title
;
 Tunable branching and living character in ethylene polymerization using
 “polyethylene glycol sandwich” α-diimine nickel catalysts
;
_journal_issue                   9
_journal_name_full               'Polymer Chemistry'
_journal_page_first              1236
_journal_page_last               1243
_journal_paper_doi               10.1039/D0PY01689F
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'C43 H43 Cl N2 O4 Pd'
_chemical_formula_weight         793.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-12-10 deposited with the CCDC.	2021-02-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.145(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.7634(4)
_cell_length_b                   19.4057(7)
_cell_length_c                   19.6256(7)
_cell_measurement_reflns_used    9905
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      58.9375
_cell_measurement_theta_min      4.4205
_cell_volume                     4445.3(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0569
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18014
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        58.947
_diffrn_reflns_theta_max         58.947
_diffrn_reflns_theta_min         3.215
_exptl_absorpt_coefficient_mu    4.220
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_description       block
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.160
_exptl_transmission_factor_max   0.7516
_exptl_transmission_factor_min   0.4343
_refine_diff_density_max         1.172
_refine_diff_density_min         -1.204
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    'riding mode'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         6245
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.0990
_refine_ls_R_factor_gt           0.0829
_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)+(0.0212P)²+72.8093P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1811
_refine_ls_wR_factor_ref         0.1936
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5148
_reflns_number_total             6245
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0py01689f2.cif
_cod_data_source_block           1_sq
_cod_depositor_comments
'Adding full bibliography for 1560320--1560322.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1560321
_shelx_shelxl_version_number     2018/3
_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   0.457
_shelx_estimated_absorpt_t_max   0.552
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Pd1 Pd 1.06727(5) 0.22142(3) -0.35577(3) 0.0381(2) Uani 1 1 d . . . . .
Cl1 Cl 1.0281(3) 0.30692(17) -0.28651(15) 0.0273(12) Uani 0.373(8) 1 d . U P A
1
C0 C 1.1259(2) 0.29975(14) -0.43064(11) 0.0331(9) Uani 0.373(8) 1 d . U P A 1
H0A H 1.103979 0.346169 -0.417543 0.050 Uiso 0.373(8) 1 calc R U P A 1
H0B H 1.209337 0.297289 -0.429360 0.050 Uiso 0.373(8) 1 calc R U P A 1
H0C H 1.089548 0.289461 -0.477198 0.050 Uiso 0.373(8) 1 calc R U P A 1
C0' C 1.0281(3) 0.30692(17) -0.28651(15) 0.0273(12) Uani 0.627(8) 1 d . U P A 2
H0'A H 1.044720 0.351194 -0.307170 0.041 Uiso 0.627(8) 1 calc R U P A 2
H0'B H 0.946940 0.305148 -0.279898 0.041 Uiso 0.627(8) 1 calc R U P A 2
H0'C H 1.075423 0.302013 -0.242024 0.041 Uiso 0.627(8) 1 calc R U P A 2
Cl1' Cl 1.1259(2) 0.29975(14) -0.43064(11) 0.0331(9) Uani 0.627(8) 1 d . U P A
2
C1 C 1.0796(6) 0.0780(5) -0.3844(4) 0.035(2) Uani 1 1 d . . . . .
C2 C 1.0393(6) 0.0819(4) -0.3152(4) 0.0314(18) Uani 1 1 d . . . . .
C3 C 1.0916(8) 0.0081(5) -0.4150(4) 0.044(2) Uani 1 1 d . . . . .
H3A H 1.021695 -0.018599 -0.411897 0.066 Uiso 1 1 calc R U . . .
H3B H 1.157228 -0.015731 -0.389795 0.066 Uiso 1 1 calc R U . . .
H3C H 1.103590 0.012937 -0.463278 0.066 Uiso 1 1 calc R U . . .
C4 C 1.0209(8) 0.0179(5) -0.2769(4) 0.046(2) Uani 1 1 d . . . . .
H4A H 1.091561 -0.009351 -0.271339 0.069 Uiso 1 1 calc R U . . .
H4B H 0.959203 -0.009048 -0.302482 0.069 Uiso 1 1 calc R U . . .
H4C H 0.999632 0.029703 -0.231623 0.069 Uiso 1 1 calc R U . . .
C5 C 1.1340(7) 0.1370(4) -0.4805(4) 0.0347(19) Uani 1 1 d . . . . .
C6 C 1.0487(7) 0.1519(5) -0.5315(4) 0.040(2) Uani 1 1 d . . . . .
H6A H 0.974778 0.163171 -0.520031 0.048 Uiso 1 1 calc R U . . .
C7 C 1.0674(7) 0.1509(5) -0.6017(4) 0.043(2) Uani 1 1 d . . . . .
H7A H 1.007731 0.161773 -0.637224 0.052 Uiso 1 1 calc R U . . .
C8 C 1.1733(8) 0.1341(5) -0.6159(4) 0.045(2) Uani 1 1 d . . . . .
H8A H 1.186594 0.132055 -0.662581 0.054 Uiso 1 1 calc R U . . .
C9 C 1.2644(7) 0.1194(4) -0.5650(4) 0.039(2) Uani 1 1 d . . . . .
C10 C 1.3732(8) 0.1014(5) -0.5831(4) 0.050(2) Uani 1 1 d . . . . .
H10A H 1.384453 0.099929 -0.630214 0.061 Uiso 1 1 calc R U . . .
C11 C 1.4606(8) 0.0863(6) -0.5350(5) 0.060(3) Uani 1 1 d . . . . .
H11A H 1.531768 0.071848 -0.548360 0.072 Uiso 1 1 calc R U . . .
C12 C 1.4476(8) 0.0918(6) -0.4638(5) 0.057(3) Uani 1 1 d . . . . .
H12A H 1.511472 0.083183 -0.430285 0.068 Uiso 1 1 calc R U . . .
C13 C 1.3444(7) 0.1092(5) -0.4433(4) 0.044(2) Uani 1 1 d . . . . .
C14 C 1.2478(7) 0.1219(4) -0.4941(4) 0.0366(19) Uani 1 1 d . . . . .
C15 C 1.3445(7) 0.1201(5) -0.3668(4) 0.043(2) Uani 1 1 d . . . . .
C16 C 1.3562(7) 0.0654(5) -0.3209(4) 0.046(2) Uani 1 1 d . . . . .
H16A H 1.358817 0.019624 -0.337704 0.055 Uiso 1 1 calc R U . . .
C17 C 1.3642(7) 0.0772(5) -0.2494(4) 0.044(2) Uani 1 1 d . . . . .
H17A H 1.372027 0.039632 -0.218176 0.052 Uiso 1 1 calc R U . . .
C18 C 1.3607(7) 0.1433(5) -0.2257(4) 0.040(2) Uani 1 1 d . . . . .
C19 C 1.3485(8) 0.1977(5) -0.2705(5) 0.050(2) Uani 1 1 d . . . . .
H19A H 1.346200 0.243388 -0.253383 0.060 Uiso 1 1 calc R U . . .
C20 C 1.3395(8) 0.1860(5) -0.3414(5) 0.053(3) Uani 1 1 d . . . . .
H20A H 1.329831 0.223907 -0.372258 0.063 Uiso 1 1 calc R U . . .
C21 C 1.3819(9) 0.2174(5) -0.1248(5) 0.058(3) Uani 1 1 d . . . . .
H21A H 1.310900 0.243936 -0.138624 0.070 Uiso 1 1 calc R U . . .
H21B H 1.446695 0.242073 -0.141426 0.070 Uiso 1 1 calc R U . . .
C22 C 1.4016(9) 0.2107(6) -0.0492(5) 0.065(3) Uani 1 1 d . . . . .
H22A H 1.387220 0.255575 -0.027721 0.078 Uiso 1 1 calc R U . . .
H22B H 1.347739 0.176496 -0.033857 0.078 Uiso 1 1 calc R U . . .
C23 C 1.5351(12) 0.1911(9) 0.0464(5) 0.103(5) Uani 1 1 d . . . . .
H23A H 1.614013 0.176469 0.061263 0.154 Uiso 1 1 calc R U . . .
H23B H 1.523666 0.237904 0.063011 0.154 Uiso 1 1 calc R U . . .
H23C H 1.481879 0.159553 0.065337 0.154 Uiso 1 1 calc R U . . .
C24 C 0.9896(7) 0.1535(5) -0.2268(4) 0.038(2) Uani 1 1 d . . . . .
C25 C 1.0757(7) 0.1676(5) -0.1767(4) 0.044(2) Uani 1 1 d . . . . .
H25A H 1.151294 0.172846 -0.188167 0.052 Uiso 1 1 calc R U . . .
C26 C 1.0561(8) 0.1747(5) -0.1083(4) 0.048(2) Uani 1 1 d . . . . .
H26A H 1.118452 0.183864 -0.073922 0.058 Uiso 1 1 calc R U . . .
C27 C 0.9481(8) 0.1684(5) -0.0906(4) 0.047(2) Uani 1 1 d . . . . .
H27A H 0.935248 0.173478 -0.044065 0.056 Uiso 1 1 calc R U . . .
C28 C 0.8558(7) 0.1545(5) -0.1414(4) 0.039(2) Uani 1 1 d . . . . .
C29 C 0.7442(7) 0.1448(5) -0.1242(5) 0.049(2) Uani 1 1 d . . . . .
H29A H 0.732281 0.147605 -0.077271 0.059 Uiso 1 1 calc R U . . .
C30 C 0.6564(9) 0.1322(6) -0.1700(5) 0.059(3) Uani 1 1 d . . . . .
H30A H 0.582730 0.126114 -0.155871 0.071 Uiso 1 1 calc R U . . .
C31 C 0.6699(7) 0.1275(6) -0.2403(5) 0.052(3) Uani 1 1 d . . . . .
H31A H 0.605103 0.117797 -0.272790 0.062 Uiso 1 1 calc R U . . .
C32 C 0.7753(7) 0.1367(5) -0.2628(4) 0.040(2) Uani 1 1 d . . . . .
C33 C 0.8713(7) 0.1485(5) -0.2133(4) 0.0365(19) Uani 1 1 d . . . . .
C34 C 0.7774(6) 0.1329(4) -0.3382(4) 0.0331(19) Uani 1 1 d . . . . .
C35 C 0.7900(7) 0.1918(5) -0.3763(4) 0.040(2) Uani 1 1 d . . . . .
H35A H 0.806218 0.234262 -0.353058 0.048 Uiso 1 1 calc R U . . .
C36 C 0.7793(7) 0.1904(5) -0.4494(4) 0.042(2) Uani 1 1 d . . . . .
H36A H 0.787022 0.231263 -0.474967 0.050 Uiso 1 1 calc R U . . .
C37 C 0.7574(6) 0.1282(5) -0.4817(4) 0.0354(19) Uani 1 1 d . . . . .
C38 C 0.7492(7) 0.0691(5) -0.4452(4) 0.038(2) Uani 1 1 d . . . . .
H38A H 0.737513 0.026278 -0.468475 0.046 Uiso 1 1 calc R U . . .
C39 C 0.7579(7) 0.0712(4) -0.3736(4) 0.0361(19) Uani 1 1 d . . . . .
H39A H 0.750469 0.029794 -0.348734 0.043 Uiso 1 1 calc R U . . .
C40 C 0.7269(9) 0.1839(5) -0.5920(4) 0.054(3) Uani 1 1 d . . . . .
H40A H 0.800631 0.208619 -0.591204 0.065 Uiso 1 1 calc R U . . .
H40B H 0.671607 0.214492 -0.572757 0.065 Uiso 1 1 calc R U . . .
C41 C 0.6800(14) 0.1627(7) -0.6674(6) 0.102(6) Uani 1 1 d . . . . .
H41A H 0.612195 0.132491 -0.667582 0.123 Uiso 1 1 calc R U . . .
H41B H 0.657339 0.204178 -0.695248 0.123 Uiso 1 1 calc R U . . .
C42 C 0.7380(15) 0.1214(9) -0.7669(6) 0.113(6) Uani 1 1 d . . . . .
H42A H 0.799983 0.096913 -0.785643 0.170 Uiso 1 1 calc R U . . .
H42B H 0.666579 0.095290 -0.776830 0.170 Uiso 1 1 calc R U . . .
H42C H 0.728355 0.167167 -0.787982 0.170 Uiso 1 1 calc R U . . .
N1 N 1.1030(5) 0.1361(3) -0.4130(3) 0.0294(14) Uani 1 1 d . . . . .
N2 N 1.0215(5) 0.1439(3) -0.2941(3) 0.0236(14) Uani 1 1 d . . . . .
O1 O 1.3715(5) 0.1486(4) -0.1544(3) 0.0530(17) Uani 1 1 d . . . . .
O2 O 1.5136(6) 0.1900(5) -0.0285(3) 0.076(2) Uani 1 1 d . . . . .
O3 O 0.7425(5) 0.1211(3) -0.5526(3) 0.0440(15) Uani 1 1 d . . . . .
O4 O 0.7660(8) 0.1287(5) -0.6937(4) 0.095(3) 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 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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 79.5(2) . . ?
N2 Pd1 Cl1 95.59(17) . . ?
N1 Pd1 Cl1 175.0(2) . . ?
N2 Pd1 C0' 95.59(17) . . ?
N1 Pd1 C0' 175.0(2) . . ?
N2 Pd1 Cl1' 174.37(17) . . ?
N1 Pd1 Cl1' 94.91(19) . . ?
C0' Pd1 Cl1' 89.93(11) . . ?
N2 Pd1 C0 174.37(17) . . ?
N1 Pd1 C0 94.91(19) . . ?
Cl1 Pd1 C0 89.93(11) . . ?
N1 C1 C3 125.1(7) . . ?
N1 C1 C2 117.1(7) . . ?
C3 C1 C2 117.8(8) . . ?
N2 C2 C4 125.2(7) . . ?
N2 C2 C1 114.7(7) . . ?
C4 C2 C1 120.1(7) . . ?
C6 C5 N1 116.1(7) . . ?
C6 C5 C14 122.0(7) . . ?
N1 C5 C14 121.9(7) . . ?
C5 C6 C7 121.5(8) . . ?
C8 C7 C6 117.5(8) . . ?
C7 C8 C9 123.1(7) . . ?
C10 C9 C8 120.5(7) . . ?
C10 C9 C14 119.4(8) . . ?
C8 C9 C14 120.2(7) . . ?
C11 C10 C9 121.1(8) . . ?
C10 C11 C12 120.5(9) . . ?
C13 C12 C11 120.8(9) . . ?
C12 C13 C14 119.5(8) . . ?
C12 C13 C15 115.8(7) . . ?
C14 C13 C15 124.4(7) . . ?
C5 C14 C13 125.8(7) . . ?
C5 C14 C9 115.7(7) . . ?
C13 C14 C9 118.5(7) . . ?
C20 C15 C16 118.7(8) . . ?
C20 C15 C13 119.6(9) . . ?
C16 C15 C13 121.6(9) . . ?
C15 C16 C17 120.6(9) . . ?
C18 C17 C16 119.2(8) . . ?
C17 C18 C19 120.7(8) . . ?
C17 C18 O1 114.1(8) . . ?
C19 C18 O1 125.2(9) . . ?
C18 C19 C20 120.1(9) . . ?
C15 C20 C19 120.5(9) . . ?
O1 C21 C22 108.5(9) . . ?
O2 C22 C21 110.0(9) . . ?
N2 C24 C25 116.2(7) . . ?
N2 C24 C33 121.8(7) . . ?
C25 C24 C33 122.0(7) . . ?
C26 C25 C24 121.5(8) . . ?
C25 C26 C27 120.4(8) . . ?
C26 C27 C28 119.9(7) . . ?
C33 C28 C27 121.8(7) . . ?
C33 C28 C29 117.2(7) . . ?
C27 C28 C29 121.1(7) . . ?
C30 C29 C28 122.7(8) . . ?
C29 C30 C31 120.7(9) . . ?
C32 C31 C30 121.3(8) . . ?
C31 C32 C34 116.1(7) . . ?
C31 C32 C33 118.3(7) . . ?
C34 C32 C33 125.6(7) . . ?
C28 C33 C32 119.7(7) . . ?
C28 C33 C24 114.3(7) . . ?
C32 C33 C24 126.0(7) . . ?
C35 C34 C39 117.7(7) . . ?
C35 C34 C32 120.9(8) . . ?
C39 C34 C32 121.3(8) . . ?
C34 C35 C36 121.7(8) . . ?
C37 C36 C35 118.1(8) . . ?
C38 C37 C36 121.2(7) . . ?
C38 C37 O3 115.9(7) . . ?
C36 C37 O3 123.0(8) . . ?
C37 C38 C39 120.2(8) . . ?
C34 C39 C38 121.0(8) . . ?
O3 C40 C41 107.0(8) . . ?
O4 C41 C40 107.1(11) . . ?
C1 N1 C5 120.4(7) . . ?
C1 N1 Pd1 112.9(5) . . ?
C5 N1 Pd1 126.1(5) . . ?
C2 N2 C24 119.1(7) . . ?
C2 N2 Pd1 115.4(5) . . ?
C24 N2 Pd1 124.7(5) . . ?
C18 O1 C21 117.6(7) . . ?
C22 O2 C23 109.2(9) . . ?
C37 O3 C40 116.5(7) . . ?
C42 O4 C41 109.7(11) . . ?
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 2.044(6) . ?
Pd1 N1 2.074(6) . ?
Pd1 Cl1 2.229(3) . ?
Pd1 C0' 2.229(3) . ?
Pd1 Cl1' 2.280(2) . ?
Pd1 C0 2.280(2) . ?
C1 N1 1.303(10) . ?
C1 C3 1.497(12) . ?
C1 C2 1.496(10) . ?
C2 N2 1.297(10) . ?
C2 C4 1.482(12) . ?
C5 C6 1.358(11) . ?
C5 N1 1.417(9) . ?
C5 C14 1.428(11) . ?
C6 C7 1.422(11) . ?
C7 C8 1.349(12) . ?
C8 C9 1.400(12) . ?
C9 C10 1.415(12) . ?
C9 C14 1.429(11) . ?
C10 C11 1.338(13) . ?
C11 C12 1.428(13) . ?
C12 C13 1.368(12) . ?
C13 C14 1.436(12) . ?
C13 C15 1.517(11) . ?
C15 C20 1.376(13) . ?
C15 C16 1.388(13) . ?
C16 C17 1.413(12) . ?
C17 C18 1.367(12) . ?
C18 C19 1.368(13) . ?
C18 O1 1.393(10) . ?
C19 C20 1.402(13) . ?
C21 O1 1.454(12) . ?
C21 C22 1.479(13) . ?
C22 O2 1.389(12) . ?
C23 O2 1.462(12) . ?
C24 N2 1.430(9) . ?
C24 C25 1.348(11) . ?
C24 C33 1.452(11) . ?
C25 C26 1.396(11) . ?
C26 C27 1.364(12) . ?
C27 C28 1.405(12) . ?
C28 C33 1.449(10) . ?
C28 C29 1.409(12) . ?
C29 C30 1.305(13) . ?
C30 C31 1.412(12) . ?
C31 C32 1.378(12) . ?
C32 C34 1.486(11) . ?
C32 C33 1.413(11) . ?
C34 C35 1.382(12) . ?
C34 C39 1.389(11) . ?
C35 C36 1.424(11) . ?
C36 C37 1.372(12) . ?
C37 C38 1.363(12) . ?
C37 O3 1.388(9) . ?
C38 C39 1.396(11) . ?
C40 O3 1.442(11) . ?
C40 C41 1.568(16) . ?
C41 O4 1.363(13) . ?
C42 O4 1.440(14) . ?
