#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:13:43 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261666 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/61/7706128.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_7706128
loop_
_publ_author_name
'Luo, Qi'
'Zhang, Jing'
'Xia, Jiangbin'
_publ_section_title
;
 Developing strong NIR absorption materials through linear planar
 π-conjugated cyclopalladated complex dimers.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1344
_journal_page_last               1348
_journal_paper_doi               10.1039/d0dt03659e
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C52 H40 Cl8 N4 O4 Pd2 S4'
_chemical_formula_weight         1409.52
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/4
_audit_update_record
;
2019-05-08 deposited with the CCDC.	2020-12-15 downloaded from the CCDC.
;
_cell_angle_alpha                77.438(2)
_cell_angle_beta                 76.466(2)
_cell_angle_gamma                71.907(2)
_cell_formula_units_Z            1
_cell_length_a                   9.1706(4)
_cell_length_b                   10.5573(5)
_cell_length_c                   14.9910(7)
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      66.60
_cell_measurement_theta_min      3.07
_cell_volume                     1324.73(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker Kappa APEX-Duo CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17425
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        66.640
_diffrn_reflns_theta_max         66.640
_diffrn_reflns_theta_min         3.070
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    11.082
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.4063
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2012/1 (Bruker,2012)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.767
_exptl_crystal_density_meas      ?
_exptl_crystal_description       stick
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.607
_refine_diff_density_min         -1.249
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         4608
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0924P)²+0.9589P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1247
_refine_ls_wR_factor_ref         0.1257
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4433
_reflns_number_total             4608
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03659e2.cif
_cod_data_source_block           x_Dimer-Pd
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7706127--7706128.cif.
;
_cod_database_code               7706128
_shelx_shelxl_version_number     2016/4
_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   0.121
_shelx_estimated_absorpt_t_max   0.809
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
PD1 Pd 0.94406(2) 0.67522(2) 0.49255(2) 0.01637(14) Uani 1 1 d . . . . .
CL1 Cl 1.20765(14) 0.21366(11) 1.02803(7) 0.0405(3) Uani 1 1 d . . . . .
N1 N 0.8263(3) 0.6656(3) 0.6255(2) 0.0182(6) Uani 1 1 d . . . . .
O1 O 0.3029(3) 0.8152(3) 0.79943(18) 0.0244(6) Uani 1 1 d . . . . .
C1 C 1.4212(4) 0.5179(4) 0.5201(2) 0.0215(7) Uani 1 1 d . . . . .
S1 S 1.35988(10) 0.49438(9) 0.64041(6) 0.0209(2) Uani 1 1 d . . . . .
CL2 Cl 1.05263(10) 0.70800(9) 0.33592(6) 0.0232(2) Uani 1 1 d . . . . .
N2 N 0.7169(4) 0.7624(3) 0.4653(2) 0.0207(6) Uani 1 1 d . . . . .
O2 O 0.1981(3) 0.9276(3) 0.6221(2) 0.0339(7) Uani 1 1 d . . . . .
C2 C 1.2931(4) 0.5752(4) 0.4745(2) 0.0208(7) Uani 1 1 d . . . . .
H2 H 1.304938 0.596120 0.408700 0.025 Uiso 1 1 calc R U . . .
S2 S 1.09819(11) 0.33344(10) 0.84747(6) 0.0266(2) Uani 1 1 d . . . . .
C5 C 1.0496(4) 0.5569(4) 0.7056(2) 0.0197(7) Uani 1 1 d . . . . .
C4 C 1.1626(4) 0.5563(4) 0.6279(3) 0.0203(7) Uani 1 1 d . . . . .
CL4 Cl 0.60356(16) 0.35335(14) 0.93968(9) 0.0528(3) Uani 1 1 d . . . . .
C3 C 1.1487(4) 0.5989(4) 0.5315(3) 0.0192(7) Uani 1 1 d . . . . .
CL3 Cl 0.6102(2) 0.11887(19) 0.86241(12) 0.0791(5) Uani 1 1 d . . . . .
C6 C 1.0988(4) 0.4978(4) 0.7974(2) 0.0212(7) Uani 1 1 d . . . . .
C7 C 1.1535(4) 0.5555(4) 0.8507(3) 0.0256(8) Uani 1 1 d . . . . .
H7 H 1.162820 0.645132 0.834556 0.031 Uiso 1 1 calc R U . . .
C8 C 1.1953(4) 0.4682(4) 0.9331(3) 0.0272(8) Uani 1 1 d . . . . .
H8 H 1.235116 0.492914 0.977893 0.033 Uiso 1 1 calc R U . . .
C9 C 1.1720(4) 0.3479(4) 0.9398(2) 0.0265(8) Uani 1 1 d . . . . .
C10 C 0.8828(4) 0.6139(4) 0.7053(2) 0.0195(7) Uani 1 1 d . . . . .
C11 C 0.7773(4) 0.6186(4) 0.7917(2) 0.0247(8) Uani 1 1 d . . . . .
H11 H 0.816956 0.578481 0.847397 0.030 Uiso 1 1 calc R U . . .
C12 C 0.6216(4) 0.6786(4) 0.7972(3) 0.0261(8) Uani 1 1 d . . . . .
H12 H 0.554186 0.681629 0.855882 0.031 Uiso 1 1 calc R U . . .
C13 C 0.5614(4) 0.7366(4) 0.7143(2) 0.0208(7) Uani 1 1 d . . . . .
C14 C 0.6692(4) 0.7247(4) 0.6308(2) 0.0193(7) Uani 1 1 d . . . . .
C15 C 0.4009(4) 0.8054(4) 0.7148(3) 0.0236(8) Uani 1 1 d . . . . .
C16 C 0.3453(4) 0.8562(4) 0.6329(3) 0.0227(8) Uani 1 1 d . . . . .
C17 C 0.4530(4) 0.8399(4) 0.5461(3) 0.0220(8) Uani 1 1 d . . . . .
C18 C 0.6109(4) 0.7775(4) 0.5456(2) 0.0203(7) Uani 1 1 d . . . . .
C19 C 0.4027(5) 0.8852(4) 0.4595(3) 0.0264(8) Uani 1 1 d . . . . .
H19 H 0.295534 0.927168 0.457033 0.032 Uiso 1 1 calc R U . . .
C20 C 0.5100(5) 0.8680(4) 0.3792(3) 0.0285(9) Uani 1 1 d . . . . .
H20 H 0.477663 0.897266 0.320584 0.034 Uiso 1 1 calc R U . . .
C21 C 0.6664(5) 0.8073(4) 0.3843(3) 0.0245(8) Uani 1 1 d . . . . .
H21 H 0.740039 0.797323 0.328200 0.029 Uiso 1 1 calc R U . . .
C22 C 0.2849(5) 0.9348(5) 0.8366(3) 0.0393(10) Uani 1 1 d . . . . .
H22A H 0.260991 1.015550 0.788820 0.047 Uiso 1 1 calc R U . . .
H22B H 0.382594 0.930283 0.856131 0.047 Uiso 1 1 calc R U . . .
C23 C 0.1551(5) 0.9432(5) 0.9177(3) 0.0417(11) Uani 1 1 d . . . . .
H23A H 0.057188 0.956424 0.896699 0.063 Uiso 1 1 calc R U . . .
H23B H 0.146818 1.019435 0.947803 0.063 Uiso 1 1 calc R U . . .
H23C H 0.175649 0.859425 0.962106 0.063 Uiso 1 1 calc R U . . .
C24 C 0.0654(5) 0.9059(5) 0.6892(3) 0.0322(9) Uani 1 1 d . . . . .
H24A H 0.047262 0.956170 0.741212 0.039 Uiso 1 1 calc R U . . .
H24B H 0.082021 0.808781 0.714548 0.039 Uiso 1 1 calc R U . . .
C25 C -0.0722(5) 0.9562(5) 0.6395(3) 0.0341(9) Uani 1 1 d . . . . .
H25A H -0.089176 1.053047 0.616564 0.051 Uiso 1 1 calc R U . . .
H25B H -0.165493 0.940618 0.682707 0.051 Uiso 1 1 calc R U . . .
H25C H -0.051142 0.907712 0.587109 0.051 Uiso 1 1 calc R U . . .
C26 C 0.6011(6) 0.2924(6) 0.8386(3) 0.0541(14) Uani 1 1 d . . . . .
H26A H 0.504447 0.344035 0.814276 0.065 Uiso 1 1 calc R U . . .
H26B H 0.690925 0.306798 0.790099 0.065 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 0.0181 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'
N N 0.0311 0.0180 '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'
S S 0.3331 0.5567 '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'
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
C3 PD1 N1 92.95(14) . . ?
C3 PD1 N2 173.87(13) . . ?
N1 PD1 N2 81.38(12) . . ?
C3 PD1 CL2 93.36(11) . . ?
N1 PD1 CL2 172.94(9) . . ?
N2 PD1 CL2 92.18(9) . . ?
C10 N1 C14 118.7(3) . . ?
C10 N1 PD1 128.9(2) . . ?
C14 N1 PD1 112.4(2) . . ?
C15 O1 C22 114.6(3) . . ?
C1 C1 C2 127.5(4) 2_866 . ?
C1 C1 S1 121.7(4) 2_866 . ?
C2 C1 S1 110.8(3) . . ?
C1 S1 C4 91.32(17) . . ?
C21 N2 C18 118.6(3) . . ?
C21 N2 PD1 130.2(3) . . ?
C18 N2 PD1 111.1(2) . . ?
C16 O2 C24 121.7(3) . . ?
C3 C2 C1 115.5(3) . . ?
C3 C2 H2 122.2 . . ?
C1 C2 H2 122.2 . . ?
C9 S2 C6 90.47(18) . . ?
C4 C5 C10 124.3(3) . . ?
C4 C5 C6 118.3(3) . . ?
C10 C5 C6 117.4(3) . . ?
C5 C4 C3 130.0(3) . . ?
C5 C4 S1 119.0(3) . . ?
C3 C4 S1 111.0(3) . . ?
C2 C3 C4 111.3(3) . . ?
C2 C3 PD1 127.0(3) . . ?
C4 C3 PD1 121.7(3) . . ?
C7 C6 C5 128.1(3) . . ?
C7 C6 S2 111.0(3) . . ?
C5 C6 S2 120.8(3) . . ?
C6 C7 C8 113.3(4) . . ?
C6 C7 H7 123.3 . . ?
C8 C7 H7 123.3 . . ?
C9 C8 C7 112.0(4) . . ?
C9 C8 H8 124.0 . . ?
C7 C8 H8 124.0 . . ?
C8 C9 CL1 126.9(3) . . ?
C8 C9 S2 113.2(3) . . ?
CL1 C9 S2 119.9(2) . . ?
N1 C10 C11 119.1(3) . . ?
N1 C10 C5 121.8(3) . . ?
C11 C10 C5 119.0(3) . . ?
C12 C11 C10 122.3(3) . . ?
C12 C11 H11 118.8 . . ?
C10 C11 H11 118.8 . . ?
C11 C12 C13 119.1(3) . . ?
C11 C12 H12 120.5 . . ?
C13 C12 H12 120.5 . . ?
C14 C13 C12 116.4(3) . . ?
C14 C13 C15 121.4(3) . . ?
C12 C13 C15 122.2(3) . . ?
N1 C14 C13 124.3(3) . . ?
N1 C14 C18 118.0(3) . . ?
C13 C14 C18 117.8(3) . . ?
C16 C15 O1 121.3(3) . . ?
C16 C15 C13 120.6(3) . . ?
O1 C15 C13 118.0(3) . . ?
O2 C16 C15 127.5(3) . . ?
O2 C16 C17 113.6(3) . . ?
C15 C16 C17 118.9(3) . . ?
C18 C17 C19 117.8(3) . . ?
C18 C17 C16 120.4(3) . . ?
C19 C17 C16 121.8(3) . . ?
N2 C18 C17 122.3(3) . . ?
N2 C18 C14 116.9(3) . . ?
C17 C18 C14 120.8(3) . . ?
C20 C19 C17 119.4(4) . . ?
C20 C19 H19 120.3 . . ?
C17 C19 H19 120.3 . . ?
C19 C20 C21 119.5(4) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 120.3 . . ?
N2 C21 C20 122.4(4) . . ?
N2 C21 H21 118.8 . . ?
C20 C21 H21 118.8 . . ?
O1 C22 C23 107.9(4) . . ?
O1 C22 H22A 110.1 . . ?
C23 C22 H22A 110.1 . . ?
O1 C22 H22B 110.1 . . ?
C23 C22 H22B 110.1 . . ?
H22A C22 H22B 108.4 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O2 C24 C25 106.7(3) . . ?
O2 C24 H24A 110.4 . . ?
C25 C24 H24A 110.4 . . ?
O2 C24 H24B 110.4 . . ?
C25 C24 H24B 110.4 . . ?
H24A C24 H24B 108.6 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
CL3 C26 CL4 111.6(3) . . ?
CL3 C26 H26A 109.3 . . ?
CL4 C26 H26A 109.3 . . ?
CL3 C26 H26B 109.3 . . ?
CL4 C26 H26B 109.3 . . ?
H26A C26 H26B 108.0 . . ?
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 C3 1.970(4) . ?
PD1 N1 2.030(3) . ?
PD1 N2 2.097(3) . ?
PD1 CL2 2.3218(9) . ?
CL1 C9 1.721(4) . ?
N1 C10 1.352(5) . ?
N1 C14 1.371(5) . ?
O1 C15 1.375(4) . ?
O1 C22 1.437(5) . ?
C1 C1 1.395(7) 2_866 ?
C1 C2 1.404(5) . ?
C1 S1 1.746(4) . ?
S1 C4 1.763(4) . ?
N2 C21 1.338(5) . ?
N2 C18 1.364(5) . ?
O2 C16 1.354(5) . ?
O2 C24 1.430(5) . ?
C2 C3 1.380(5) . ?
C2 H2 0.9500 . ?
S2 C9 1.730(4) . ?
S2 C6 1.735(4) . ?
C5 C4 1.365(5) . ?
C5 C10 1.460(5) . ?
C5 C6 1.493(5) . ?
C4 C3 1.441(5) . ?
CL4 C26 1.778(6) . ?
CL3 C26 1.767(7) . ?
C6 C7 1.360(6) . ?
C7 C8 1.425(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.331(6) . ?
C8 H8 0.9500 . ?
C10 C11 1.423(5) . ?
C11 C12 1.361(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.415(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.404(5) . ?
C13 C15 1.424(5) . ?
C14 C18 1.432(5) . ?
C15 C16 1.375(6) . ?
C16 C17 1.446(5) . ?
C17 C18 1.391(5) . ?
C17 C19 1.414(5) . ?
C19 C20 1.371(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.390(6) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.486(6) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.510(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
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
C1 C1 S1 C4 -178.1(5) 2_866 . . . ?
C2 C1 S1 C4 1.9(3) . . . . ?
C1 C1 C2 C3 179.1(5) 2_866 . . . ?
S1 C1 C2 C3 -0.9(4) . . . . ?
C10 C5 C4 C3 -5.0(7) . . . . ?
C6 C5 C4 C3 176.2(4) . . . . ?
C10 C5 C4 S1 175.5(3) . . . . ?
C6 C5 C4 S1 -3.2(5) . . . . ?
C1 S1 C4 C5 177.1(3) . . . . ?
C1 S1 C4 C3 -2.4(3) . . . . ?
C1 C2 C3 C4 -0.9(5) . . . . ?
C1 C2 C3 PD1 -179.1(3) . . . . ?
C5 C4 C3 C2 -177.1(4) . . . . ?
S1 C4 C3 C2 2.3(4) . . . . ?
C5 C4 C3 PD1 1.1(6) . . . . ?
S1 C4 C3 PD1 -179.41(18) . . . . ?
C4 C5 C6 C7 79.9(5) . . . . ?
C10 C5 C6 C7 -99.0(5) . . . . ?
C4 C5 C6 S2 -97.4(4) . . . . ?
C10 C5 C6 S2 83.7(4) . . . . ?
C9 S2 C6 C7 0.1(3) . . . . ?
C9 S2 C6 C5 177.9(3) . . . . ?
C5 C6 C7 C8 -177.7(3) . . . . ?
S2 C6 C7 C8 -0.2(4) . . . . ?
C6 C7 C8 C9 0.2(5) . . . . ?
C7 C8 C9 CL1 179.8(3) . . . . ?
C7 C8 C9 S2 -0.1(4) . . . . ?
C6 S2 C9 C8 0.0(3) . . . . ?
C6 S2 C9 CL1 -180.0(2) . . . . ?
C14 N1 C10 C11 1.9(5) . . . . ?
PD1 N1 C10 C11 179.8(3) . . . . ?
C14 N1 C10 C5 -176.2(3) . . . . ?
PD1 N1 C10 C5 1.6(5) . . . . ?
C4 C5 C10 N1 3.4(6) . . . . ?
C6 C5 C10 N1 -177.8(3) . . . . ?
C4 C5 C10 C11 -174.7(4) . . . . ?
C6 C5 C10 C11 4.1(5) . . . . ?
N1 C10 C11 C12 -2.8(6) . . . . ?
C5 C10 C11 C12 175.3(4) . . . . ?
C10 C11 C12 C13 1.1(6) . . . . ?
C11 C12 C13 C14 1.4(6) . . . . ?
C11 C12 C13 C15 -177.6(4) . . . . ?
C10 N1 C14 C13 0.6(5) . . . . ?
PD1 N1 C14 C13 -177.5(3) . . . . ?
C10 N1 C14 C18 -179.2(3) . . . . ?
PD1 N1 C14 C18 2.6(4) . . . . ?
C12 C13 C14 N1 -2.3(6) . . . . ?
C15 C13 C14 N1 176.7(3) . . . . ?
C12 C13 C14 C18 177.5(3) . . . . ?
C15 C13 C14 C18 -3.5(6) . . . . ?
C22 O1 C15 C16 -90.5(5) . . . . ?
C22 O1 C15 C13 91.6(4) . . . . ?
C14 C13 C15 C16 3.4(6) . . . . ?
C12 C13 C15 C16 -177.6(4) . . . . ?
C14 C13 C15 O1 -178.7(3) . . . . ?
C12 C13 C15 O1 0.2(6) . . . . ?
C24 O2 C16 C15 -31.9(6) . . . . ?
C24 O2 C16 C17 151.2(4) . . . . ?
O1 C15 C16 O2 4.8(6) . . . . ?
C13 C15 C16 O2 -177.4(4) . . . . ?
O1 C15 C16 C17 -178.4(3) . . . . ?
C13 C15 C16 C17 -0.7(6) . . . . ?
O2 C16 C17 C18 175.2(3) . . . . ?
C15 C16 C17 C18 -2.0(6) . . . . ?
O2 C16 C17 C19 -5.2(5) . . . . ?
C15 C16 C17 C19 177.6(4) . . . . ?
C21 N2 C18 C17 -1.2(5) . . . . ?
PD1 N2 C18 C17 176.3(3) . . . . ?
C21 N2 C18 C14 178.3(3) . . . . ?
PD1 N2 C18 C14 -4.2(4) . . . . ?
C19 C17 C18 N2 1.8(6) . . . . ?
C16 C17 C18 N2 -178.7(4) . . . . ?
C19 C17 C18 C14 -177.7(3) . . . . ?
C16 C17 C18 C14 1.9(6) . . . . ?
N1 C14 C18 N2 1.2(5) . . . . ?
C13 C14 C18 N2 -178.7(3) . . . . ?
N1 C14 C18 C17 -179.3(3) . . . . ?
C13 C14 C18 C17 0.8(5) . . . . ?
C18 C17 C19 C20 -0.9(6) . . . . ?
C16 C17 C19 C20 179.6(4) . . . . ?
C17 C19 C20 C21 -0.5(6) . . . . ?
C18 N2 C21 C20 -0.3(6) . . . . ?
PD1 N2 C21 C20 -177.3(3) . . . . ?
C19 C20 C21 N2 1.1(6) . . . . ?
C15 O1 C22 C23 169.5(4) . . . . ?
C16 O2 C24 C25 -157.5(4) . . . . ?
