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#$Date: 2022-11-12 02:03:15 +0200 (Sat, 12 Nov 2022) $
#$Revision: 279239 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/17/7711749.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_7711749
loop_
_publ_author_name
'Hogarth, Graeme'
'Al-Jibori, Subhi A.'
'Al-Janabi, Ahmed'
'Irzoqi, Ahmed A.'
'Basak-Modi, Sucharita'
'Orton, Georgia'
'Ghosh, Shishir'
'Wagner, Christoph'
'Abdullah, Ali I. A.'
_publ_section_title
;
 Palladium(II) ortho-cyano-aminothiophenolate (ocap) complexes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02681C
_journal_year                    2022
_chemical_formula_sum            'C32 H26 N2 P2 Pd S'
_chemical_formula_weight         638.95
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2021-10-06 deposited with the CCDC.	2022-11-10 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 105.465(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.904(3)
_cell_length_b                   13.160(3)
_cell_length_c                   16.640(4)
_cell_measurement_reflns_used    245
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      5
_cell_volume                     2723.4(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.829
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0723
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17518
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    0.901
_exptl_absorpt_correction_T_max  0.7374
_exptl_absorpt_correction_T_min  0.6716
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.36
_refine_diff_density_max         0.654
_refine_diff_density_min         -0.775
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       0.0046(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         5619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.940
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0455P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0872
_reflns_number_gt                3928
_reflns_number_total             5619
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            d2dt02681c2.cif
_cod_data_source_block           str0943
_cod_original_cell_volume        2723.3(11)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7711749
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.877578(17) 0.211758(15) 0.246820(12) 0.02316(9) Uani 1 1 d . . .
S1 S 0.90445(6) 0.11487(5) 0.36431(4) 0.02752(17) Uani 1 1 d . . .
P1 P 0.82667(6) 0.31290(5) 0.13219(4) 0.02466(17) Uani 1 1 d . . .
P2 P 0.71300(6) 0.26745(5) 0.24028(4) 0.02411(17) Uani 1 1 d . . .
N1 N 1.02429(19) 0.15820(18) 0.24214(13) 0.0267(5) Uani 1 1 d . . .
N2 N 1.1223(2) 0.2267(2) 0.14707(16) 0.0425(7) Uani 1 1 d . . .
C1 C 1.0776(2) 0.1936(2) 0.19211(17) 0.0282(7) Uani 1 1 d . . .
C2 C 1.0711(2) 0.0789(2) 0.29641(16) 0.0275(6) Uani 1 1 d . . .
C3 C 1.0202(2) 0.0514(2) 0.35713(16) 0.0272(6) Uani 1 1 d . . .
C4 C 1.0623(2) -0.0278(2) 0.41092(17) 0.0302(7) Uani 1 1 d . . .
H4A H 1.0292 -0.0466 0.4533 0.036 Uiso 1 1 calc R . .
C5 C 1.1526(3) -0.0794(2) 0.40287(19) 0.0373(8) Uani 1 1 d . . .
H5A H 1.1807 -0.1341 0.4395 0.045 Uiso 1 1 calc R . .
C6 C 1.2013(3) -0.0525(3) 0.34297(19) 0.0381(8) Uani 1 1 d . . .
H6A H 1.2632 -0.0883 0.3378 0.046 Uiso 1 1 calc R . .
C7 C 1.1609(2) 0.0266(2) 0.28979(18) 0.0346(7) Uani 1 1 d . . .
H7A H 1.1952 0.0453 0.2481 0.042 Uiso 1 1 calc R . .
C8 C 0.7104(2) 0.3633(2) 0.16092(16) 0.0286(6) Uani 1 1 d . . .
H8A H 0.6439 0.3609 0.1145 0.034 Uiso 1 1 calc R . .
H8B H 0.7223 0.4329 0.1841 0.034 Uiso 1 1 calc R . .
C9 C 0.7836(2) 0.2532(2) 0.03194(16) 0.0272(6) Uani 1 1 d . . .
C10 C 0.6774(3) 0.2479(2) -0.01313(18) 0.0352(7) Uani 1 1 d . . .
H10A H 0.6228 0.2755 0.0090 0.042 Uiso 1 1 calc R . .
C11 C 0.6506(3) 0.2019(2) -0.09084(19) 0.0398(8) Uani 1 1 d . . .
H11A H 0.5774 0.1978 -0.1219 0.048 Uiso 1 1 calc R . .
C12 C 0.7284(3) 0.1626(2) -0.12295(18) 0.0402(8) Uani 1 1 d . . .
H12A H 0.7092 0.1318 -0.1765 0.048 Uiso 1 1 calc R . .
C13 C 0.8348(3) 0.1671(2) -0.07864(18) 0.0361(7) Uani 1 1 d . . .
H13A H 0.8890 0.1395 -0.1012 0.043 Uiso 1 1 calc R . .
C14 C 0.8617(3) 0.2125(2) -0.00072(17) 0.0305(7) Uani 1 1 d . . .
H14A H 0.9350 0.2155 0.0305 0.037 Uiso 1 1 calc R . .
C15 C 0.9050(2) 0.4209(2) 0.12013(17) 0.0275(6) Uani 1 1 d . . .
C16 C 0.9918(2) 0.4487(2) 0.18461(18) 0.0353(7) Uani 1 1 d . . .
H16A H 1.0140 0.4074 0.2330 0.042 Uiso 1 1 calc R . .
C17 C 1.0450(3) 0.5361(3) 0.1781(2) 0.0430(8) Uani 1 1 d . . .
H17A H 1.1047 0.5560 0.2224 0.052 Uiso 1 1 calc R . .
C18 C 1.0141(3) 0.5955(3) 0.1090(2) 0.0485(9) Uani 1 1 d . . .
H18A H 1.0517 0.6567 0.1058 0.058 Uiso 1 1 calc R . .
C19 C 0.9289(3) 0.5676(3) 0.0440(2) 0.0448(9) Uani 1 1 d . . .
H19A H 0.9085 0.6086 -0.0047 0.054 Uiso 1 1 calc R . .
C20 C 0.8739(3) 0.4806(2) 0.04946(18) 0.0345(7) Uani 1 1 d . . .
H20A H 0.8143 0.4612 0.0049 0.041 Uiso 1 1 calc R . .
C21 C 0.6782(2) 0.3258(2) 0.32670(16) 0.0251(6) Uani 1 1 d . . .
C22 C 0.6972(3) 0.2729(2) 0.40069(18) 0.0338(7) Uani 1 1 d . . .
H22A H 0.7284 0.2071 0.4051 0.041 Uiso 1 1 calc R . .
C23 C 0.6709(3) 0.3153(2) 0.46783(17) 0.0340(7) Uani 1 1 d . . .
H23A H 0.6836 0.2784 0.5186 0.041 Uiso 1 1 calc R . .
C24 C 0.6269(3) 0.4096(3) 0.46255(18) 0.0371(8) Uani 1 1 d . . .
H24A H 0.6102 0.4391 0.5097 0.044 Uiso 1 1 calc R . .
C25 C 0.6065(3) 0.4624(3) 0.38859(18) 0.0436(9) Uani 1 1 d . . .
H25A H 0.5745 0.5279 0.3843 0.052 Uiso 1 1 calc R . .
C26 C 0.6323(3) 0.4206(2) 0.32113(17) 0.0362(8) Uani 1 1 d . . .
H26A H 0.6185 0.4573 0.2702 0.043 Uiso 1 1 calc R . .
C27 C 0.6070(3) 0.1804(2) 0.19189(16) 0.0314(7) Uani 1 1 d . . .
C28 C 0.5021(3) 0.2108(3) 0.1779(2) 0.0422(8) Uani 1 1 d . . .
H28A H 0.4855 0.2736 0.1998 0.051 Uiso 1 1 calc R . .
C29 C 0.4211(3) 0.1503(3) 0.1320(2) 0.0573(11) Uani 1 1 d . . .
H29A H 0.3482 0.1711 0.1217 0.069 Uiso 1 1 calc R . .
C30 C 0.4459(4) 0.0595(3) 0.1013(2) 0.0640(13) Uani 1 1 d . . .
H30A H 0.3900 0.0178 0.0692 0.077 Uiso 1 1 calc R . .
C31 C 0.5496(4) 0.0287(3) 0.1162(2) 0.0547(11) Uani 1 1 d . . .
H31A H 0.5658 -0.0346 0.0949 0.066 Uiso 1 1 calc R . .
C32 C 0.6316(3) 0.0891(2) 0.16231(19) 0.0413(8) Uani 1 1 d . . .
H32A H 0.7043 0.0674 0.1734 0.050 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 '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'
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
N1 Pd1 P2 175.10(6) . . ?
N1 Pd1 P1 103.50(7) . . ?
P2 Pd1 P1 72.98(3) . . ?
N1 Pd1 S1 84.79(7) . . ?
P2 Pd1 S1 98.69(3) . . ?
P1 Pd1 S1 171.67(3) . . ?
C3 S1 Pd1 98.41(10) . . ?
C15 P1 C9 106.75(13) . . ?
C15 P1 C8 105.71(14) . . ?
C9 P1 C8 109.40(14) . . ?
C15 P1 Pd1 120.95(9) . . ?
C9 P1 Pd1 118.20(10) . . ?
C8 P1 Pd1 93.85(9) . . ?
C15 P1 P2 133.00(10) . . ?
C9 P1 P2 116.00(11) . . ?
C8 P1 P2 42.72(9) . . ?
Pd1 P1 P2 52.60(2) . . ?
C21 P2 C27 107.98(15) . . ?
C21 P2 C8 109.00(14) . . ?
C27 P2 C8 104.58(13) . . ?
C21 P2 Pd1 122.93(9) . . ?
C27 P2 Pd1 114.46(11) . . ?
C8 P2 Pd1 95.53(10) . . ?
C21 P2 P1 138.12(10) . . ?
C27 P2 P1 109.20(10) . . ?
C8 P2 P1 42.62(10) . . ?
Pd1 P2 P1 54.42(3) . . ?
C1 N1 C2 117.9(3) . . ?
C1 N1 Pd1 123.72(19) . . ?
C2 N1 Pd1 118.4(2) . . ?
N2 C1 N1 178.1(3) . . ?
C7 C2 C3 119.9(3) . . ?
C7 C2 N1 123.1(3) . . ?
C3 C2 N1 117.0(3) . . ?
C4 C3 C2 118.9(3) . . ?
C4 C3 S1 120.8(2) . . ?
C2 C3 S1 120.3(2) . . ?
C5 C4 C3 120.1(3) . . ?
C6 C5 C4 120.5(3) . . ?
C5 C6 C7 119.9(3) . . ?
C6 C7 C2 120.6(3) . . ?
P1 C8 P2 94.66(13) . . ?
C14 C9 C10 119.5(3) . . ?
C14 C9 P1 117.4(2) . . ?
C10 C9 P1 123.0(3) . . ?
C9 C10 C11 119.6(3) . . ?
C12 C11 C10 120.5(3) . . ?
C11 C12 C13 120.6(3) . . ?
C12 C13 C14 119.1(3) . . ?
C9 C14 C13 120.7(3) . . ?
C16 C15 C20 120.2(3) . . ?
C16 C15 P1 119.4(2) . . ?
C20 C15 P1 120.2(2) . . ?
C17 C16 C15 119.1(3) . . ?
C18 C17 C16 120.9(3) . . ?
C17 C18 C19 120.5(3) . . ?
C20 C19 C18 119.6(3) . . ?
C19 C20 C15 119.8(3) . . ?
C26 C21 C22 119.3(3) . . ?
C26 C21 P2 122.1(2) . . ?
C22 C21 P2 118.6(2) . . ?
C23 C22 C21 119.9(3) . . ?
C24 C23 C22 120.7(3) . . ?
C23 C24 C25 119.7(3) . . ?
C26 C25 C24 120.0(3) . . ?
C25 C26 C21 120.3(3) . . ?
C32 C27 C28 120.6(3) . . ?
C32 C27 P2 119.9(3) . . ?
C28 C27 P2 119.2(2) . . ?
C27 C28 C29 119.7(4) . . ?
C30 C29 C28 119.6(4) . . ?
C31 C30 C29 120.7(4) . . ?
C30 C31 C32 120.1(4) . . ?
C27 C32 C31 119.3(4) . . ?
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 N1 2.041(2) . ?
Pd1 P2 2.2217(9) . ?
Pd1 P1 2.2744(8) . ?
Pd1 S1 2.2818(8) . ?
S1 C3 1.743(3) . ?
P1 C15 1.786(3) . ?
P1 C9 1.793(3) . ?
P1 C8 1.817(3) . ?
P1 P2 2.6741(12) . ?
P2 C21 1.790(3) . ?
P2 C27 1.801(3) . ?
P2 C8 1.820(3) . ?
N1 C1 1.299(4) . ?
N1 C2 1.407(3) . ?
N2 C1 1.147(4) . ?
C2 C7 1.377(4) . ?
C2 C3 1.392(4) . ?
C3 C4 1.387(4) . ?
C4 C5 1.386(4) . ?
C5 C6 1.359(5) . ?
C6 C7 1.376(4) . ?
C9 C14 1.375(4) . ?
C9 C10 1.378(4) . ?
C10 C11 1.385(4) . ?
C11 C12 1.359(5) . ?
C12 C13 1.375(5) . ?
C13 C14 1.385(4) . ?
C15 C16 1.378(4) . ?
C15 C20 1.382(4) . ?
C16 C17 1.359(5) . ?
C17 C18 1.359(5) . ?
C18 C19 1.371(5) . ?
C19 C20 1.363(4) . ?
C21 C26 1.373(4) . ?
C21 C22 1.378(4) . ?
C22 C23 1.370(4) . ?
C23 C24 1.358(4) . ?
C24 C25 1.376(4) . ?
C25 C26 1.369(4) . ?
C27 C32 1.368(4) . ?
C27 C28 1.371(5) . ?
C28 C29 1.373(5) . ?
C29 C30 1.370(6) . ?
C30 C31 1.356(6) . ?
C31 C32 1.381(5) . ?
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
N1 Pd1 S1 C3 -8.08(11) . . . . ?
P2 Pd1 S1 C3 168.44(9) . . . . ?
P1 Pd1 S1 C3 166.64(19) . . . . ?
N1 Pd1 P1 C15 -60.69(14) . . . . ?
P2 Pd1 P1 C15 122.86(12) . . . . ?
S1 Pd1 P1 C15 124.7(2) . . . . ?
N1 Pd1 P1 C9 73.97(14) . . . . ?
P2 Pd1 P1 C9 -102.49(13) . . . . ?
S1 Pd1 P1 C9 -100.6(2) . . . . ?
N1 Pd1 P1 C8 -171.59(12) . . . . ?
P2 Pd1 P1 C8 11.95(10) . . . . ?
S1 Pd1 P1 C8 13.8(2) . . . . ?
N1 Pd1 P1 P2 176.46(7) . . . . ?
S1 Pd1 P1 P2 1.86(19) . . . . ?
N1 Pd1 P2 C21 -173.5(8) . . . . ?
P1 Pd1 P2 C21 -128.86(12) . . . . ?
S1 Pd1 P2 C21 51.41(12) . . . . ?
N1 Pd1 P2 C27 52.1(8) . . . . ?
P1 Pd1 P2 C27 96.82(10) . . . . ?
S1 Pd1 P2 C27 -82.91(10) . . . . ?
N1 Pd1 P2 C8 -56.6(8) . . . . ?
P1 Pd1 P2 C8 -11.96(9) . . . . ?
S1 Pd1 P2 C8 168.31(9) . . . . ?
N1 Pd1 P2 P1 -44.7(8) . . . . ?
S1 Pd1 P2 P1 -179.73(3) . . . . ?
C15 P1 P2 C21 1.8(2) . . . . ?
C9 P1 P2 C21 -151.48(17) . . . . ?
C8 P1 P2 C21 -60.54(19) . . . . ?
Pd1 P1 P2 C21 101.73(14) . . . . ?
C15 P1 P2 C27 153.22(16) . . . . ?
C9 P1 P2 C27 -0.06(15) . . . . ?
C8 P1 P2 C27 90.88(17) . . . . ?
Pd1 P1 P2 C27 -106.86(11) . . . . ?
C15 P1 P2 C8 62.35(19) . . . . ?
C9 P1 P2 C8 -90.94(18) . . . . ?
Pd1 P1 P2 C8 162.27(14) . . . . ?
C15 P1 P2 Pd1 -99.92(13) . . . . ?
C9 P1 P2 Pd1 106.79(11) . . . . ?
C8 P1 P2 Pd1 -162.27(14) . . . . ?
P2 Pd1 N1 C1 55.0(10) . . . . ?
P1 Pd1 N1 C1 11.3(2) . . . . ?
S1 Pd1 N1 C1 -169.5(2) . . . . ?
P2 Pd1 N1 C2 -125.4(8) . . . . ?
P1 Pd1 N1 C2 -169.15(17) . . . . ?
S1 Pd1 N1 C2 10.06(18) . . . . ?
C2 N1 C1 N2 179(100) . . . . ?
Pd1 N1 C1 N2 -1(11) . . . . ?
C1 N1 C2 C7 -10.9(4) . . . . ?
Pd1 N1 C2 C7 169.5(2) . . . . ?
C1 N1 C2 C3 171.4(3) . . . . ?
Pd1 N1 C2 C3 -8.1(3) . . . . ?
C7 C2 C3 C4 1.0(4) . . . . ?
N1 C2 C3 C4 178.7(2) . . . . ?
C7 C2 C3 S1 -178.3(2) . . . . ?
N1 C2 C3 S1 -0.5(3) . . . . ?
Pd1 S1 C3 C4 -172.1(2) . . . . ?
Pd1 S1 C3 C2 7.2(2) . . . . ?
C2 C3 C4 C5 -1.1(4) . . . . ?
S1 C3 C4 C5 178.1(2) . . . . ?
C3 C4 C5 C6 0.7(4) . . . . ?
C4 C5 C6 C7 0.0(5) . . . . ?
C5 C6 C7 C2 -0.2(5) . . . . ?
C3 C2 C7 C6 -0.3(4) . . . . ?
N1 C2 C7 C6 -177.9(3) . . . . ?
C15 P1 C8 P2 -137.70(12) . . . . ?
C9 P1 C8 P2 107.69(14) . . . . ?
Pd1 P1 C8 P2 -14.03(11) . . . . ?
C21 P2 C8 P1 142.07(13) . . . . ?
C27 P2 C8 P1 -102.66(15) . . . . ?
Pd1 P2 C8 P1 14.41(11) . . . . ?
C15 P1 C9 C14 64.7(3) . . . . ?
C8 P1 C9 C14 178.6(2) . . . . ?
Pd1 P1 C9 C14 -75.7(2) . . . . ?
P2 P1 C9 C14 -135.4(2) . . . . ?
C15 P1 C9 C10 -114.5(3) . . . . ?
C8 P1 C9 C10 -0.6(3) . . . . ?
Pd1 P1 C9 C10 105.0(3) . . . . ?
P2 P1 C9 C10 45.4(3) . . . . ?
C14 C9 C10 C11 -0.2(5) . . . . ?
P1 C9 C10 C11 178.9(2) . . . . ?
C9 C10 C11 C12 -0.3(5) . . . . ?
C10 C11 C12 C13 0.5(5) . . . . ?
C11 C12 C13 C14 -0.1(5) . . . . ?
C10 C9 C14 C13 0.6(4) . . . . ?
P1 C9 C14 C13 -178.6(2) . . . . ?
C12 C13 C14 C9 -0.4(5) . . . . ?
C9 P1 C15 C16 -145.3(3) . . . . ?
C8 P1 C15 C16 98.3(3) . . . . ?
Pd1 P1 C15 C16 -6.2(3) . . . . ?
P2 P1 C15 C16 59.7(3) . . . . ?
C9 P1 C15 C20 39.9(3) . . . . ?
C8 P1 C15 C20 -76.6(3) . . . . ?
Pd1 P1 C15 C20 179.0(2) . . . . ?
P2 P1 C15 C20 -115.2(2) . . . . ?
C20 C15 C16 C17 0.9(5) . . . . ?
P1 C15 C16 C17 -174.0(3) . . . . ?
C15 C16 C17 C18 -0.3(5) . . . . ?
C16 C17 C18 C19 -0.8(6) . . . . ?
C17 C18 C19 C20 1.2(6) . . . . ?
C18 C19 C20 C15 -0.7(5) . . . . ?
C16 C15 C20 C19 -0.4(5) . . . . ?
P1 C15 C20 C19 174.5(3) . . . . ?
C27 P2 C21 C26 -98.7(3) . . . . ?
C8 P2 C21 C26 14.4(3) . . . . ?
Pd1 P2 C21 C26 124.5(2) . . . . ?
P1 P2 C21 C26 53.0(3) . . . . ?
C27 P2 C21 C22 80.6(3) . . . . ?
C8 P2 C21 C22 -166.3(2) . . . . ?
Pd1 P2 C21 C22 -56.2(3) . . . . ?
P1 P2 C21 C22 -127.8(2) . . . . ?
C26 C21 C22 C23 -0.4(5) . . . . ?
P2 C21 C22 C23 -179.7(3) . . . . ?
C21 C22 C23 C24 -0.5(5) . . . . ?
C22 C23 C24 C25 1.2(5) . . . . ?
C23 C24 C25 C26 -1.1(5) . . . . ?
C24 C25 C26 C21 0.3(5) . . . . ?
C22 C21 C26 C25 0.5(5) . . . . ?
P2 C21 C26 C25 179.8(3) . . . . ?
C21 P2 C27 C32 -141.4(2) . . . . ?
C8 P2 C27 C32 102.6(3) . . . . ?
Pd1 P2 C27 C32 -0.5(3) . . . . ?
P1 P2 C27 C32 58.2(3) . . . . ?
C21 P2 C27 C28 45.0(3) . . . . ?
C8 P2 C27 C28 -71.0(3) . . . . ?
Pd1 P2 C27 C28 -174.2(2) . . . . ?
P1 P2 C27 C28 -115.4(2) . . . . ?
C32 C27 C28 C29 -1.6(5) . . . . ?
P2 C27 C28 C29 172.0(3) . . . . ?
C27 C28 C29 C30 0.5(6) . . . . ?
C28 C29 C30 C31 0.5(6) . . . . ?
C29 C30 C31 C32 -0.4(6) . . . . ?
C28 C27 C32 C31 1.6(5) . . . . ?
P2 C27 C32 C31 -171.9(3) . . . . ?
C30 C31 C32 C27 -0.6(5) . . . . ?
