#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:17:09 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179916 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/11/7021134.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_7021134
loop_
_publ_author_name
'Schmid, Thibault E.'
'Jones, Dale C.'
'Songis, Olivier'
'Diebolt, Olivier'
'Furst, Marc R. L.'
'Slawin, Alexandra M. Z.'
'Cazin, Catherine S. J.'
_publ_section_title
;
 Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis,
 characterization and catalytic use in aqueous Suzuki-Miyaura reactions.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7345
_journal_page_last               7353
_journal_paper_doi               10.1039/c2dt32858e
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C52 H70 Cl4 O4 P2 Pd2'
_chemical_formula_sum            'C52 H70 Cl4 O4 P2 Pd2'
_chemical_formula_weight         1175.68
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                103.695(14)
_cell_angle_beta                 103.287(16)
_cell_angle_gamma                96.525(10)
_cell_formula_units_Z            1
_cell_length_a                   9.390(10)
_cell_length_b                   10.444(11)
_cell_length_c                   13.796(15)
_cell_measurement_reflns_used    3632
_cell_measurement_temperature    93
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.04
_cell_volume                     1259(2)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 rc13'
_computing_data_collection
'CrystalClear-SM Expert 2.0 rc13 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 rc13'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 29.257
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1775
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11553
_diffrn_reflns_theta_full        25.28
_diffrn_reflns_theta_max         25.28
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.035
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.387
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             604.00
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.050
_refine_diff_density_max         3.780
_refine_diff_density_min         -4.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.404
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4471
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.1309
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3519
_reflns_number_gt                3998
_reflns_number_total             4471
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c2dt32858e.txt
_cod_data_source_block           5
_cod_original_cell_volume        1259(3)
_cod_database_code               7021134
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
Pd1 Pd 0.46362(5) 0.46878(5) 0.36468(3) 0.0303(4) Uani 1.0 2 d .
Cl1 Cl 0.5320(3) 0.35048(19) 0.48637(14) 0.0302(6) Uani 1.0 2 d .
Cl2 Cl 0.3927(3) 0.59557(19) 0.25410(14) 0.0356(6) Uani 1.0 2 d .
P1 P 0.4634(2) 0.30662(19) 0.22459(14) 0.0290(6) Uani 1.0 2 d .
O20 O 0.1014(6) 0.4290(5) 0.2974(4) 0.0366(12) Uani 1.0 2 d .
O24 O 0.2061(7) 0.0007(6) 0.2715(4) 0.0370(12) Uani 1.0 2 d .
C1 C 0.5729(8) 0.3761(7) 0.1478(5) 0.0283(15) Uani 1.0 2 d .
C2 C 0.7109(9) 0.4823(9) 0.2153(6) 0.0398(18) Uani 1.0 2 d .
C3 C 0.7716(9) 0.5589(9) 0.1488(6) 0.0400(18) Uani 1.0 2 d .
C4 C 0.8161(10) 0.4636(9) 0.0623(7) 0.0421(19) Uani 1.0 2 d .
C5 C 0.6864(9) 0.3528(9) 0.0001(6) 0.0379(18) Uani 1.0 2 d .
C6 C 0.6228(8) 0.2769(8) 0.0669(6) 0.0314(15) Uani 1.0 2 d .
C7 C 0.5383(8) 0.1633(7) 0.2606(5) 0.0320(16) Uani 1.0 2 d .
C8 C 0.7051(8) 0.2022(8) 0.3157(6) 0.0373(17) Uani 1.0 2 d .
C9 C 0.7566(9) 0.0937(8) 0.3638(6) 0.0385(18) Uani 1.0 2 d .
C10 C 0.7243(10) -0.0400(9) 0.2797(6) 0.045(2) Uani 1.0 2 d .
C11 C 0.5625(9) -0.0774(8) 0.2216(6) 0.0398(18) Uani 1.0 2 d .
C12 C 0.5071(9) 0.0337(7) 0.1744(6) 0.0342(17) Uani 1.0 2 d .
C13 C 0.2738(8) 0.2424(7) 0.1400(5) 0.0299(15) Uani 1.0 2 d .
C14 C 0.1542(8) 0.2041(8) 0.1781(6) 0.0321(16) Uani 1.0 2 d .
C15 C 0.0125(8) 0.1622(8) 0.1102(6) 0.0358(17) Uani 1.0 2 d .
C16 C -0.0116(9) 0.1519(8) 0.0051(6) 0.0329(16) Uani 1.0 2 d .
C17 C 0.1062(9) 0.1883(8) -0.0319(6) 0.0341(17) Uani 1.0 2 d .
C18 C 0.2464(9) 0.2308(8) 0.0333(6) 0.0352(17) Uani 1.0 2 d .
C19 C 0.1639(8) 0.2188(8) 0.2906(6) 0.0324(16) Uani 1.0 2 d .
C20 C 0.1352(8) 0.3393(8) 0.3510(6) 0.0349(17) Uani 1.0 2 d .
C21 C 0.1409(9) 0.3553(8) 0.4547(7) 0.0402(19) Uani 1.0 2 d .
C22 C 0.1665(9) 0.2504(8) 0.4966(6) 0.0368(18) Uani 1.0 2 d .
C23 C 0.1892(9) 0.1316(9) 0.4391(6) 0.0407(18) Uani 1.0 2 d .
C24 C 0.1849(8) 0.1153(8) 0.3352(6) 0.0341(17) Uani 1.0 2 d .
C25 C 0.0889(9) 0.5604(8) 0.3554(6) 0.0391(18) Uani 1.0 2 d .
C26 C 0.2065(11) -0.1151(9) 0.3077(7) 0.050(3) Uani 1.0 2 d .
H1 H 0.5064 0.4251 0.1081 0.0339 Uiso 1.0 2 calc R
H2A H 0.6827 0.5451 0.2707 0.0478 Uiso 1.0 2 calc R
H2B H 0.7884 0.4376 0.2483 0.0478 Uiso 1.0 2 calc R
H3A H 0.8594 0.6267 0.1923 0.0480 Uiso 1.0 2 calc R
H3B H 0.6952 0.6062 0.1181 0.0480 Uiso 1.0 2 calc R
H4A H 0.8480 0.5141 0.0163 0.0505 Uiso 1.0 2 calc R
H4B H 0.9009 0.4244 0.0928 0.0505 Uiso 1.0 2 calc R
H5A H 0.7193 0.2890 -0.0522 0.0454 Uiso 1.0 2 calc R
H5B H 0.6070 0.3918 -0.0374 0.0454 Uiso 1.0 2 calc R
H6A H 0.6994 0.2329 0.1017 0.0377 Uiso 1.0 2 calc R
H6B H 0.5372 0.2069 0.0232 0.0377 Uiso 1.0 2 calc R
H7 H 0.4882 0.1426 0.3131 0.0384 Uiso 1.0 2 calc R
H8A H 0.7617 0.2150 0.2654 0.0448 Uiso 1.0 2 calc R
H8B H 0.7240 0.2878 0.3702 0.0448 Uiso 1.0 2 calc R
H9A H 0.7042 0.0844 0.4171 0.0462 Uiso 1.0 2 calc R
H9B H 0.8647 0.1183 0.3978 0.0462 Uiso 1.0 2 calc R
H10A H 0.7848 -0.0328 0.2306 0.0539 Uiso 1.0 2 calc R
H10B H 0.7533 -0.1114 0.3122 0.0539 Uiso 1.0 2 calc R
H11A H 0.5031 -0.0950 0.2693 0.0478 Uiso 1.0 2 calc R
H11B H 0.5471 -0.1609 0.1656 0.0478 Uiso 1.0 2 calc R
H12A H 0.5592 0.0462 0.1216 0.0411 Uiso 1.0 2 calc R
H12B H 0.3991 0.0083 0.1405 0.0411 Uiso 1.0 2 calc R
H15 H -0.0696 0.1402 0.1363 0.0430 Uiso 1.0 2 calc R
H16 H -0.1084 0.1201 -0.0405 0.0394 Uiso 1.0 2 calc R
H17 H 0.0903 0.1840 -0.1033 0.0410 Uiso 1.0 2 calc R
H18 H 0.3270 0.2531 0.0059 0.0423 Uiso 1.0 2 calc R
H21 H 0.1275 0.4374 0.4960 0.0482 Uiso 1.0 2 calc R
H22 H 0.1685 0.2603 0.5672 0.0441 Uiso 1.0 2 calc R
H23 H 0.2078 0.0608 0.4701 0.0488 Uiso 1.0 2 calc R
H25A H 0.1838 0.6025 0.4065 0.0470 Uiso 1.0 2 calc R
H25B H 0.0107 0.5517 0.3909 0.0470 Uiso 1.0 2 calc R
H25C H 0.0638 0.6159 0.3079 0.0470 Uiso 1.0 2 calc R
H26A H 0.1107 -0.1393 0.3216 0.0603 Uiso 1.0 2 calc R
H26B H 0.2864 -0.0971 0.3715 0.0603 Uiso 1.0 2 calc R
H26C H 0.2227 -0.1892 0.2551 0.0603 Uiso 1.0 2 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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(1992, 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Cl1 Pd1 Cl1 84.48(11) yes . 2_666
Cl1 Pd1 Cl2 176.02(8) yes . .
Cl1 Pd1 P1 96.98(11) yes . .
Cl1 Pd1 Cl2 91.65(11) yes 2_666 .
Cl1 Pd1 P1 178.03(8) yes 2_666 .
Cl2 Pd1 P1 86.91(11) yes . .
Pd1 Cl1 Pd1 95.52(11) yes . 2_666
Pd1 P1 C1 109.4(3) yes . .
Pd1 P1 C7 111.7(3) yes . .
Pd1 P1 C13 111.1(3) yes . .
C1 P1 C7 110.3(4) yes . .
C1 P1 C13 106.8(4) yes . .
C7 P1 C13 107.5(4) yes . .
C20 O20 C25 117.3(6) yes . .
C24 O24 C26 117.8(7) yes . .
P1 C1 C2 113.2(5) yes . .
P1 C1 C6 117.5(6) yes . .
C2 C1 C6 108.1(7) yes . .
C1 C2 C3 109.8(7) yes . .
C2 C3 C4 110.7(8) yes . .
C3 C4 C5 110.3(8) yes . .
C4 C5 C6 112.8(6) yes . .
C1 C6 C5 108.8(7) yes . .
P1 C7 C8 111.2(6) yes . .
P1 C7 C12 116.4(5) yes . .
C8 C7 C12 110.5(7) yes . .
C7 C8 C9 110.1(7) yes . .
C8 C9 C10 109.7(7) yes . .
C9 C10 C11 111.6(8) yes . .
C10 C11 C12 112.1(7) yes . .
C7 C12 C11 108.7(6) yes . .
P1 C13 C14 122.2(6) yes . .
P1 C13 C18 119.5(6) yes . .
C14 C13 C18 118.3(6) yes . .
C13 C14 C15 118.9(7) yes . .
C13 C14 C19 124.5(6) yes . .
C15 C14 C19 116.3(7) yes . .
C14 C15 C16 121.6(8) yes . .
C15 C16 C17 119.2(7) yes . .
C16 C17 C18 120.4(7) yes . .
C13 C18 C17 121.5(8) yes . .
C14 C19 C20 119.1(8) yes . .
C14 C19 C24 122.3(7) yes . .
C20 C19 C24 118.3(8) yes . .
O20 C20 C19 113.7(7) yes . .
O20 C20 C21 125.8(8) yes . .
C19 C20 C21 120.5(8) yes . .
C20 C21 C22 118.9(8) yes . .
C21 C22 C23 121.7(8) yes . .
C22 C23 C24 119.6(9) yes . .
O24 C24 C19 115.3(7) yes . .
O24 C24 C23 124.0(8) yes . .
C19 C24 C23 120.7(8) yes . .
P1 C1 H1 105.715 no . .
C2 C1 H1 105.712 no . .
C6 C1 H1 105.724 no . .
C1 C2 H2A 109.697 no . .
C1 C2 H2B 109.698 no . .
C3 C2 H2A 109.705 no . .
C3 C2 H2B 109.703 no . .
H2A C2 H2B 108.185 no . .
C2 C3 H3A 109.512 no . .
C2 C3 H3B 109.516 no . .
C4 C3 H3A 109.514 no . .
C4 C3 H3B 109.510 no . .
H3A C3 H3B 108.081 no . .
C3 C4 H4A 109.597 no . .
C3 C4 H4B 109.604 no . .
C5 C4 H4A 109.600 no . .
C5 C4 H4B 109.609 no . .
H4A C4 H4B 108.122 no . .
C4 C5 H5A 109.022 no . .
C4 C5 H5B 109.019 no . .
C6 C5 H5A 109.008 no . .
C6 C5 H5B 109.019 no . .
H5A C5 H5B 107.800 no . .
C1 C6 H6A 109.936 no . .
C1 C6 H6B 109.928 no . .
C5 C6 H6A 109.938 no . .
C5 C6 H6B 109.936 no . .
H6A C6 H6B 108.336 no . .
P1 C7 H7 105.987 no . .
C8 C7 H7 105.998 no . .
C12 C7 H7 105.998 no . .
C7 C8 H8A 109.642 no . .
C7 C8 H8B 109.643 no . .
C9 C8 H8A 109.648 no . .
C9 C8 H8B 109.656 no . .
H8A C8 H8B 108.151 no . .
C8 C9 H9A 109.718 no . .
C8 C9 H9B 109.726 no . .
C10 C9 H9A 109.718 no . .
C10 C9 H9B 109.720 no . .
H9A C9 H9B 108.195 no . .
C9 C10 H10A 109.306 no . .
C9 C10 H10B 109.313 no . .
C11 C10 H10A 109.302 no . .
C11 C10 H10B 109.308 no . .
H10A C10 H10B 107.963 no . .
C10 C11 H11A 109.191 no . .
C10 C11 H11B 109.194 no . .
C12 C11 H11A 109.197 no . .
C12 C11 H11B 109.197 no . .
H11A C11 H11B 107.894 no . .
C7 C12 H12A 109.951 no . .
C7 C12 H12B 109.954 no . .
C11 C12 H12A 109.950 no . .
C11 C12 H12B 109.952 no . .
H12A C12 H12B 108.339 no . .
C14 C15 H15 119.221 no . .
C16 C15 H15 119.224 no . .
C15 C16 H16 120.394 no . .
C17 C16 H16 120.389 no . .
C16 C17 H17 119.801 no . .
C18 C17 H17 119.794 no . .
C13 C18 H18 119.245 no . .
C17 C18 H18 119.246 no . .
C20 C21 H21 120.561 no . .
C22 C21 H21 120.550 no . .
C21 C22 H22 119.150 no . .
C23 C22 H22 119.147 no . .
C22 C23 H23 120.179 no . .
C24 C23 H23 120.175 no . .
O20 C25 H25A 109.475 no . .
O20 C25 H25B 109.472 no . .
O20 C25 H25C 109.475 no . .
H25A C25 H25B 109.467 no . .
H25A C25 H25C 109.472 no . .
H25B C25 H25C 109.466 no . .
O24 C26 H26A 109.467 no . .
O24 C26 H26B 109.470 no . .
O24 C26 H26C 109.478 no . .
H26A C26 H26B 109.473 no . .
H26A C26 H26C 109.469 no . .
H26B C26 H26C 109.471 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Pd1 Cl1 2.329(3) yes .
Pd1 Cl1 2.428(3) yes 2_666
Pd1 Cl2 2.283(3) yes .
Pd1 P1 2.247(3) yes .
P1 C1 1.845(9) yes .
P1 C7 1.848(9) yes .
P1 C13 1.839(7) yes .
O20 C20 1.347(11) yes .
O20 C25 1.448(10) yes .
O24 C24 1.371(10) yes .
O24 C26 1.414(12) yes .
C1 C2 1.551(9) yes .
C1 C6 1.530(11) yes .
C2 C3 1.514(14) yes .
C3 C4 1.533(13) yes .
C4 C5 1.513(10) yes .
C5 C6 1.526(13) yes .
C7 C8 1.536(10) yes .
C7 C12 1.523(9) yes .
C8 C9 1.514(13) yes .
C9 C10 1.537(11) yes .
C10 C11 1.503(12) yes .
C11 C12 1.543(12) yes .
C13 C14 1.403(12) yes .
C13 C18 1.408(11) yes .
C14 C15 1.392(10) yes .
C14 C19 1.502(11) yes .
C15 C16 1.391(11) yes .
C16 C17 1.373(12) yes .
C17 C18 1.368(10) yes .
C19 C20 1.426(11) yes .
C19 C24 1.376(13) yes .
C20 C21 1.387(12) yes .
C21 C22 1.374(13) yes .
C22 C23 1.373(12) yes .
C23 C24 1.395(12) yes .
C1 H1 1.000 no .
C2 H2A 0.990 no .
C2 H2B 0.990 no .
C3 H3A 0.990 no .
C3 H3B 0.990 no .
C4 H4A 0.990 no .
C4 H4B 0.990 no .
C5 H5A 0.990 no .
C5 H5B 0.990 no .
C6 H6A 0.990 no .
C6 H6B 0.990 no .
C7 H7 1.000 no .
C8 H8A 0.990 no .
C8 H8B 0.990 no .
C9 H9A 0.990 no .
C9 H9B 0.990 no .
C10 H10A 0.990 no .
C10 H10B 0.990 no .
C11 H11A 0.990 no .
C11 H11B 0.990 no .
C12 H12A 0.990 no .
C12 H12B 0.990 no .
C15 H15 0.950 no .
C16 H16 0.950 no .
C17 H17 0.950 no .
C18 H18 0.950 no .
C21 H21 0.950 no .
C22 H22 0.950 no .
C23 H23 0.950 no .
C25 H25A 0.980 no .
C25 H25B 0.980 no .
C25 H25C 0.980 no .
C26 H26A 0.980 no .
C26 H26B 0.980 no .
C26 H26C 0.980 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Pd1 O20 3.263(7) no .
Pd1 C2 3.452(10) no .
Pd1 C19 3.395(8) no .
Pd1 C20 3.169(8) no .
Cl1 C7 3.279(8) no .
Cl1 C8 3.345(9) no .
Cl1 C22 3.517(9) no .
Cl1 C23 3.559(9) no .
Cl2 O20 3.321(7) no .
Cl2 C1 3.271(8) no .
Cl2 C2 3.442(10) no .
Cl2 C13 3.583(8) no .
Cl2 C25 3.473(10) no .
P1 C19 3.250(9) no .
O20 C13 3.386(10) no .
O20 C14 2.698(10) no .
O20 C15 3.194(9) no .
O20 C24 3.580(11) no .
O24 C7 3.430(10) no .
O24 C12 3.412(11) no .
O24 C13 3.521(11) no .
O24 C14 2.766(11) no .
O24 C15 3.422(11) no .
C1 C4 2.952(13) no .
C1 C8 3.375(12) no .
C1 C18 3.127(10) no .
C2 C5 2.901(11) no .
C2 C8 3.521(14) no .
C3 C6 2.944(11) no .
C6 C7 3.383(12) no .
C6 C12 3.424(12) no .
C6 C18 3.420(12) no .
C7 C10 2.919(13) no .
C8 C11 2.919(11) no .
C9 C12 2.964(10) no .
C12 C13 3.297(11) no .
C13 C16 2.800(10) no .
C13 C20 3.442(12) no .
C13 C24 3.490(13) no .
C14 C17 2.790(11) no .
C15 C18 2.745(13) no .
C15 C20 3.261(10) no .
C15 C24 3.329(12) no .
C19 C22 2.777(12) no .
C20 C23 2.767(14) no .
C21 C24 2.786(12) no .
C21 C25 2.833(13) no .
C23 C26 2.823(13) no .
Cl2 C5 3.595(9) no 2_665
C2 C25 3.527(11) no 1_655
C5 Cl2 3.595(9) no 2_665
C15 C16 3.288(11) no 2_555
C15 C17 3.530(11) no 2_555
C16 C15 3.288(11) no 2_555
C16 C16 3.177(12) no 2_555
C17 C15 3.530(11) no 2_555
C25 C2 3.527(11) no 1_455
Pd1 H1 3.5814 no .
Pd1 H2A 2.8083 no .
Pd1 H7 3.3573 no .
Pd1 H8B 3.2540 no .
Pd1 H25A 3.2152 no .
Cl1 H7 2.7358 no .
Cl1 H8B 2.7106 no .
Cl1 H9A 3.4242 no .
Cl1 H25A 2.6634 no 2_666
Cl2 H1 2.8438 no .
Cl2 H2A 2.8000 no .
Cl2 H25A 3.1826 no .
Cl2 H25C 3.3558 no .
P1 H2A 2.8861 no .
P1 H2B 3.1096 no .
P1 H6A 3.1426 no .
P1 H6B 2.9942 no .
P1 H8A 3.0363 no .
P1 H8B 2.8458 no .
P1 H12A 3.0881 no .
P1 H12B 2.9930 no .
P1 H18 2.8842 no .
O20 H15 3.2713 no .
O20 H21 2.6730 no .
O24 H7 2.7472 no .
O24 H11A 3.0716 no .
O24 H12B 2.8457 no .
O24 H15 3.4960 no .
O24 H23 2.6574 no .
C1 H3A 3.3680 no .
C1 H3B 2.7055 no .
C1 H4B 3.3493 no .
C1 H5A 3.3408 no .
C1 H5B 2.6858 no .
C1 H8A 3.0425 no .
C1 H8B 3.4521 no .
C1 H12A 3.3623 no .
C1 H18 2.6214 no .
C2 H4A 3.3565 no .
C2 H4B 2.7491 no .
C2 H5B 3.2656 no .
C2 H6A 2.6798 no .
C2 H6B 3.3615 no .
C2 H8A 3.0930 no .
C2 H8B 3.2711 no .
C2 H22 3.3821 no 2_666
C3 H1 2.5816 no .
C3 H5A 3.3512 no .
C3 H5B 2.7331 no .
C3 H6A 3.2709 no .
C4 H1 3.1176 no .
C4 H2A 3.3623 no .
C4 H2B 2.7105 no .
C4 H6A 2.7561 no .
C4 H6B 3.3777 no .
C5 H1 2.5624 no .
C5 H2B 3.2083 no .
C5 H3A 3.3506 no .
C5 H3B 2.7407 no .
C5 H18 3.4419 no .
C6 H2A 3.3551 no .
C6 H2B 2.6694 no .
C6 H3B 3.3001 no .
C6 H4A 3.3766 no .
C6 H4B 2.7780 no .
C6 H8A 3.0011 no .
C6 H12A 2.7335 no .
C6 H18 2.6750 no .
C7 H2B 3.5550 no .
C7 H6A 3.1072 no .
C7 H6B 3.4104 no .
C7 H9A 2.7116 no .
C7 H9B 3.3584 no .
C7 H10A 3.2927 no .
C7 H11A 2.7143 no .
C7 H11B 3.3471 no .
C8 H2B 2.9158 no .
C8 H6A 3.0337 no .
C8 H10A 2.7245 no .
C8 H10B 3.3480 no .
C8 H11A 3.2870 no .
C8 H12A 2.7279 no .
C8 H12B 3.3713 no .
C9 H7 2.5994 no .
C9 H11A 2.7462 no .
C9 H11B 3.3636 no .
C9 H12A 3.3176 no .
C10 H7 3.1269 no .
C10 H8A 2.7057 no .
C10 H8B 3.3554 no .
C10 H12A 2.7680 no .
C10 H12B 3.3729 no .
C11 H7 2.5992 no .
C11 H8A 3.2400 no .
C11 H9A 2.7530 no .
C11 H9B 3.3609 no .
C11 H26C 3.4413 no .
C12 H6A 3.0917 no .
C12 H6B 3.1056 no .
C12 H8A 2.7092 no .
C12 H8B 3.3665 no .
C12 H9A 3.3169 no .
C12 H10A 2.7602 no .
C12 H10B 3.3757 no .
C13 H1 2.9145 no .
C13 H6B 3.2568 no .
C13 H7 3.2073 no .
C13 H12A 3.5713 no .
C13 H12B 2.8320 no .
C13 H15 3.2642 no .
C13 H17 3.2768 no .
C14 H7 3.4724 no .
C14 H12B 3.2954 no .
C14 H16 3.2835 no .
C14 H18 3.2710 no .
C15 H17 3.2442 no .
C16 H18 3.2311 no .
C17 H15 3.2380 no .
C18 H1 2.8050 no .
C18 H6B 2.8022 no .
C18 H12B 3.3256 no .
C18 H16 3.2375 no .
C19 H7 3.1993 no .
C19 H15 2.5747 no .
C19 H21 3.3043 no .
C19 H23 3.2627 no .
C20 H15 3.2180 no .
C20 H22 3.2348 no .
C20 H25A 2.6292 no .
C20 H25B 2.6269 no .
C20 H25C 3.1974 no .
C21 H23 3.2532 no .
C21 H25A 2.8235 no .
C21 H25B 2.7221 no .
C22 H2A 3.2932 no 2_666
C23 H21 3.2553 no .
C23 H26A 2.8246 no .
C23 H26B 2.6899 no .
C24 H7 2.9221 no .
C24 H15 3.2816 no .
C24 H22 3.2477 no .
C24 H26A 2.6216 no .
C24 H26B 2.6209 no .
C24 H26C 3.1989 no .
C25 H21 2.5511 no .
C26 H7 3.5269 no .
C26 H11A 2.9457 no .
C26 H23 2.5348 no .
H1 H2A 2.4153 no .
H1 H2B 2.8663 no .
H1 H3A 3.5009 no .
H1 H3B 2.3965 no .
H1 H5A 3.4780 no .
H1 H5B 2.3785 no .
H1 H6A 2.8534 no .
H1 H6B 2.3862 no .
H1 H18 2.2530 no .
H2A H3A 2.3648 no .
H2A H3B 2.3648 no .
H2A H6A 3.5754 no .
H2A H8A 3.5962 no .
H2A H8B 3.3158 no .
H2A H21 3.2525 no 2_666
H2A H22 2.6171 no 2_666
H2B H3A 2.3666 no .
H2B H3B 2.8674 no .
H2B H4B 2.5837 no .
H2B H6A 2.4759 no .
H2B H6B 3.5797 no .
H2B H8A 2.3833 no .
H2B H8B 2.6723 no .
H2B H21 3.3284 no 2_666
H2B H22 3.4687 no 2_666
H3A H4A 2.4064 no .
H3A H4B 2.3581 no .
H3A H22 3.3296 no 2_666
H3B H4A 2.3571 no .
H3B H4B 2.8794 no .
H3B H5B 2.6051 no .
H4A H5A 2.3782 no .
H4A H5B 2.3290 no .
H4B H5A 2.3348 no .
H4B H5B 2.8593 no .
H4B H6A 2.6381 no .
H5A H6A 2.3727 no .
H5A H6B 2.3759 no .
H5B H6A 2.8739 no .
H5B H6B 2.3633 no .
H5B H18 3.1038 no .
H6A H8A 2.2573 no .
H6A H8B 3.5604 no .
H6A H12A 2.3338 no .
H6A H18 3.4924 no .
H6B H8A 3.4941 no .
H6B H12A 2.3943 no .
H6B H12B 3.2475 no .
H6B H18 2.0590 no .
H7 H8A 2.8589 no .
H7 H8B 2.3860 no .
H7 H9A 2.4283 no .
H7 H9B 3.5176 no .
H7 H11A 2.4390 no .
H7 H11B 3.5155 no .
H7 H12A 2.8528 no .
H7 H12B 2.3609 no .
H7 H26B 3.3292 no .
H8A H9A 2.8690 no .
H8A H9B 2.3613 no .
H8A H10A 2.5616 no .
H8A H12A 2.5507 no .
H8B H9A 2.3621 no .
H8B H9B 2.3756 no .
H8B H21 2.9983 no 2_666
H8B H25A 2.9030 no 2_666
H8B H25B 3.5409 no 2_666
H9A H10A 2.8822 no .
H9A H10B 2.3687 no .
H9A H11A 2.6176 no .
H9A H25A 3.4629 no 2_666
H9B H10A 2.3644 no .
H9B H10B 2.4011 no .
H10A H11A 2.8513 no .
H10A H11B 2.3255 no .
H10A H12A 2.6361 no .
H10B H11A 2.3244 no .
H10B H11B 2.3629 no .
H11A H12A 2.8882 no .
H11A H12B 2.3711 no .
H11A H26B 2.7298 no .
H11A H26C 2.6496 no .
H11B H12A 2.3788 no .
H11B H12B 2.4086 no .
H11B H26C 3.5481 no .
H12B H18 3.5365 no .
H12B H26C 3.3863 no .
H15 H16 2.3352 no .
H16 H17 2.3263 no .
H17 H18 2.3045 no .
H21 H22 2.3201 no .
H21 H25A 2.4249 no .
H21 H25B 2.2618 no .
H21 H25C 3.5211 no .
H22 H23 2.3136 no .
H23 H26A 2.4649 no .
H23 H26B 2.1878 no .
H23 H26C 3.4983 no .
Cl2 H5A 3.2944 no 2_665
Cl2 H5B 3.0248 no 2_665
Cl2 H11A 3.2220 no 1_565
Cl2 H11B 3.3922 no 1_565
Cl2 H26B 3.5965 no 1_565
Cl2 H26C 2.9008 no 1_565
O20 H2B 2.8777 no 1_455
O20 H3A 3.5354 no 1_455
O20 H4B 2.9983 no 1_455
O20 H8A 3.5538 no 1_455
O24 H16 3.0129 no 2_555
O24 H17 3.2470 no 2_555
C1 H5B 3.5422 no 2_665
C2 H25B 3.1444 no 1_655
C2 H25C 3.2741 no 1_655
C3 H17 3.1098 no 2_665
C3 H18 3.2804 no 2_665
C3 H25B 3.5930 no 1_655
C3 H25C 2.9900 no 1_655
C4 H4A 3.5641 no 2_765
C4 H17 3.5624 no 2_665
C4 H25C 3.5220 no 1_655
C5 H1 3.4980 no 2_665
C5 H11B 2.9285 no 2_655
C5 H16 3.2938 no 1_655
C6 H11B 3.1099 no 2_655
C6 H12B 3.5574 no 2_655
C6 H15 3.4077 no 1_655
C6 H16 3.5715 no 1_655
C9 H23 3.0803 no 2_656
C10 H17 3.4685 no 2_655
C10 H22 3.5522 no 2_656
C10 H23 3.4274 no 2_656
C11 H5A 3.2762 no 2_655
C11 H5B 3.5748 no 2_655
C11 H6B 3.1948 no 2_655
C12 H5A 3.5719 no 2_655
C12 H6B 3.1489 no 2_655
C14 H16 3.3917 no 2_555
C15 H4B 3.0823 no 1_455
C15 H6A 3.0947 no 1_455
C15 H8A 3.5340 no 1_455
C15 H16 3.1759 no 2_555
C16 H4B 3.0973 no 1_455
C16 H5A 3.0821 no 1_455
C16 H6A 3.3915 no 1_455
C16 H15 3.4764 no 2_555
C16 H16 3.2721 no 2_555
C17 H3A 3.3079 no 2_665
C17 H3B 3.2877 no 2_665
C17 H4A 3.0378 no 2_665
C17 H10A 3.2793 no 2_655
C17 H15 3.3358 no 2_555
C17 H16 3.5919 no 2_555
C18 H3B 3.0904 no 2_665
C18 H4A 3.0776 no 2_665
C20 H8A 3.4225 no 1_455
C20 H9B 3.5103 no 1_455
C21 H9B 3.1871 no 1_455
C21 H21 3.5828 no 2_566
C21 H25B 2.8698 no 2_566
C22 H9B 2.8703 no 1_455
C22 H10B 3.2830 no 2_656
C22 H25B 3.1460 no 2_566
C23 H9A 3.4269 no 2_656
C23 H9B 2.9498 no 1_455
C23 H10B 3.4091 no 2_656
C24 H9B 3.3158 no 1_455
C25 H2B 2.8557 no 1_455
C25 H3A 3.0052 no 1_455
C25 H4B 3.5088 no 1_455
C25 H21 3.1995 no 2_566
C25 H22 3.4292 no 2_566
C25 H26A 3.2696 no 1_565
C25 H26C 3.4784 no 1_565
C26 H16 3.5746 no 2_555
C26 H17 3.3479 no 2_555
C26 H25A 3.5351 no 1_545
C26 H25C 2.9731 no 1_545
H1 C5 3.4980 no 2_665
H1 H3B 3.1761 no 2_665
H1 H4A 3.5768 no 2_665
H1 H5B 2.5712 no 2_665
H2A H10B 3.4566 no 1_565
H2A H25B 3.1288 no 1_655
H2A H25C 3.4632 no 1_655
H2B O20 2.8777 no 1_655
H2B C25 2.8557 no 1_655
H2B H25B 2.4667 no 1_655
H2B H25C 2.8347 no 1_655
H3A O20 3.5354 no 1_655
H3A C17 3.3079 no 2_665
H3A C25 3.0052 no 1_655
H3A H10B 3.2317 no 1_565
H3A H17 2.6166 no 2_665
H3A H18 3.4705 no 2_665
H3A H25B 3.1012 no 1_655
H3A H25C 2.2284 no 1_655
H3A H26A 3.0680 no 1_665
H3A H26C 3.5278 no 1_665
H3B C17 3.2877 no 2_665
H3B C18 3.0904 no 2_665
H3B H1 3.1761 no 2_665
H3B H5B 2.8042 no 2_665
H3B H10B 3.3746 no 1_565
H3B H11B 2.9510 no 1_565
H3B H17 2.8804 no 2_665
H3B H18 2.4945 no 2_665
H4A C4 3.5641 no 2_765
H4A C17 3.0378 no 2_665
H4A C18 3.0776 no 2_665
H4A H1 3.5768 no 2_665
H4A H4A 3.0260 no 2_765
H4A H4B 3.1591 no 2_765
H4A H17 3.0321 no 2_665
H4A H18 3.1206 no 2_665
H4B O20 2.9983 no 1_655
H4B C15 3.0823 no 1_655
H4B C16 3.0973 no 1_655
H4B C25 3.5088 no 1_655
H4B H4A 3.1591 no 2_765
H4B H15 3.1941 no 1_655
H4B H16 3.2536 no 1_655
H4B H25C 3.0912 no 1_655
H5A Cl2 3.2944 no 2_665
H5A C11 3.2762 no 2_655
H5A C12 3.5719 no 2_655
H5A C16 3.0821 no 1_655
H5A H11A 3.2755 no 2_655
H5A H11B 2.6355 no 2_655
H5A H12B 3.0270 no 2_655
H5A H16 2.5337 no 1_655
H5A H26C 2.9443 no 2_655
H5B Cl2 3.0248 no 2_665
H5B C1 3.5422 no 2_665
H5B C11 3.5748 no 2_655
H5B H1 2.5712 no 2_665
H5B H3B 2.8042 no 2_665
H5B H5B 3.3298 no 2_665
H5B H11B 2.6551 no 2_655
H5B H18 3.5945 no 2_665
H6A C15 3.0947 no 1_655
H6A C16 3.3915 no 1_655
H6A H12B 3.5254 no 2_655
H6A H15 2.4680 no 1_655
H6A H16 3.0832 no 1_655
H6B C11 3.1948 no 2_655
H6B C12 3.1489 no 2_655
H6B H11B 2.4521 no 2_655
H6B H12A 2.8145 no 2_655
H6B H12B 3.0047 no 2_655
H8A O20 3.5538 no 1_655
H8A C15 3.5340 no 1_655
H8A C20 3.4225 no 1_655
H8A H15 2.6860 no 1_655
H8B H25B 3.5371 no 1_655
H9A C23 3.4269 no 2_656
H9A H23 2.4940 no 2_656
H9A H26A 3.5022 no 2_656
H9A H26B 2.8680 no 2_656
H9B C20 3.5103 no 1_655
H9B C21 3.1871 no 1_655
H9B C22 2.8703 no 1_655
H9B C23 2.9498 no 1_655
H9B C24 3.3158 no 1_655
H9B H22 3.1829 no 1_655
H9B H23 3.3142 no 1_655
H9B H23 3.0298 no 2_656
H10A C17 3.2793 no 2_655
H10A H15 2.8629 no 1_655
H10A H17 2.6472 no 2_655
H10A H18 3.3702 no 2_655
H10A H26A 3.4412 no 1_655
H10B C22 3.2830 no 2_656
H10B C23 3.4091 no 2_656
H10B H2A 3.4566 no 1_545
H10B H3A 3.2317 no 1_545
H10B H3B 3.3746 no 1_545
H10B H17 3.4931 no 2_655
H10B H22 2.5785 no 2_656
H10B H23 2.8529 no 2_656
H10B H26A 3.3763 no 1_655
H11A Cl2 3.2220 no 1_545
H11A H5A 3.2755 no 2_655
H11B Cl2 3.3922 no 1_545
H11B C5 2.9285 no 2_655
H11B C6 3.1099 no 2_655
H11B H3B 2.9510 no 1_545
H11B H5A 2.6355 no 2_655
H11B H5B 2.6551 no 2_655
H11B H6B 2.4521 no 2_655
H11B H18 2.8959 no 2_655
H12A H6B 2.8145 no 2_655
H12A H12A 3.1526 no 2_655
H12A H15 3.4586 no 1_655
H12B C6 3.5574 no 2_655
H12B H5A 3.0270 no 2_655
H12B H6A 3.5254 no 2_655
H12B H6B 3.0047 no 2_655
H12B H16 2.7772 no 2_555
H15 C6 3.4077 no 1_455
H15 C16 3.4764 no 2_555
H15 C17 3.3358 no 2_555
H15 H4B 3.1941 no 1_455
H15 H6A 2.4680 no 1_455
H15 H8A 2.6860 no 1_455
H15 H10A 2.8629 no 1_455
H15 H12A 3.4586 no 1_455
H15 H16 3.5032 no 2_555
H15 H17 3.2844 no 2_555
H16 O24 3.0129 no 2_555
H16 C5 3.2938 no 1_455
H16 C6 3.5715 no 1_455
H16 C14 3.3917 no 2_555
H16 C15 3.1759 no 2_555
H16 C16 3.2721 no 2_555
H16 C17 3.5919 no 2_555
H16 C26 3.5746 no 2_555
H16 H4B 3.2536 no 1_455
H16 H5A 2.5337 no 1_455
H16 H6A 3.0832 no 1_455
H16 H12B 2.7772 no 2_555
H16 H15 3.5032 no 2_555
H16 H26C 3.1881 no 2_555
H17 O24 3.2470 no 2_555
H17 C3 3.1098 no 2_665
H17 C4 3.5624 no 2_665
H17 C10 3.4685 no 2_655
H17 C26 3.3479 no 2_555
H17 H3A 2.6166 no 2_665
H17 H3B 2.8804 no 2_665
H17 H4A 3.0321 no 2_665
H17 H10A 2.6472 no 2_655
H17 H10B 3.4931 no 2_655
H17 H15 3.2844 no 2_555
H17 H26A 3.0610 no 2_555
H17 H26C 3.2071 no 2_555
H18 C3 3.2804 no 2_665
H18 H3A 3.4705 no 2_665
H18 H3B 2.4945 no 2_665
H18 H4A 3.1206 no 2_665
H18 H5B 3.5945 no 2_665
H18 H10A 3.3702 no 2_655
H18 H11B 2.8959 no 2_655
H21 C21 3.5828 no 2_566
H21 C25 3.1995 no 2_566
H21 H21 2.8666 no 2_566
H21 H25A 3.5102 no 2_566
H21 H25B 2.2380 no 2_566
H22 C10 3.5522 no 2_656
H22 C25 3.4292 no 2_566
H22 H9B 3.1829 no 1_455
H22 H10B 2.5785 no 2_656
H22 H25B 2.7713 no 2_566
H22 H25C 3.2731 no 2_566
H22 H26A 3.5832 no 2_556
H23 C9 3.0803 no 2_656
H23 C10 3.4274 no 2_656
H23 H9A 2.4940 no 2_656
H23 H9B 3.3142 no 1_455
H23 H9B 3.0298 no 2_656
H23 H10B 2.8529 no 2_656
H25A C26 3.5351 no 1_565
H25A H21 3.5102 no 2_566
H25A H26A 3.2658 no 1_565
H25A H26B 3.3537 no 1_565
H25A H26C 3.3989 no 1_565
H25B C2 3.1444 no 1_455
H25B C3 3.5930 no 1_455
H25B C21 2.8698 no 2_566
H25B C22 3.1460 no 2_566
H25B H2A 3.1288 no 1_455
H25B H2B 2.4667 no 1_455
H25B H3A 3.1012 no 1_455
H25B H8B 3.5371 no 1_455
H25B H21 2.2380 no 2_566
H25B H22 2.7713 no 2_566
H25B H25B 3.4686 no 2_566
H25C C2 3.2741 no 1_455
H25C C3 2.9900 no 1_455
H25C C4 3.5220 no 1_455
H25C C26 2.9731 no 1_565
H25C H2A 3.4632 no 1_455
H25C H2B 2.8347 no 1_455
H25C H3A 2.2284 no 1_455
H25C H4B 3.0912 no 1_455
H25C H22 3.2731 no 2_566
H25C H26A 2.4992 no 1_565
H25C H26B 3.2577 no 1_565
H25C H26C 2.7227 no 1_565
H26A C25 3.2696 no 1_545
H26A H3A 3.0680 no 1_445
H26A H9A 3.5022 no 2_656
H26A H10A 3.4412 no 1_455
H26A H10B 3.3763 no 1_455
H26A H17 3.0610 no 2_555
H26A H22 3.5832 no 2_556
H26A H25A 3.2658 no 1_545
H26A H25C 2.4992 no 1_545
H26B Cl2 3.5965 no 1_545
H26B H9A 2.8680 no 2_656
H26B H25A 3.3537 no 1_545
H26B H25C 3.2577 no 1_545
H26C Cl2 2.9008 no 1_545
H26C C25 3.4784 no 1_545
H26C H3A 3.5278 no 1_445
H26C H5A 2.9443 no 2_655
H26C H16 3.1881 no 2_555
H26C H17 3.2071 no 2_555
H26C H25A 3.3989 no 1_545
H26C H25C 2.7227 no 1_545
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cl1 Pd1 Cl1 Pd1 0.00(8) no . 2_666 2_666
Cl1 Pd1 Cl1 Pd1 -0.00(8) no 2_666 . 2_666
Cl1 Pd1 P1 C1 -130.08(11) no . . .
Cl1 Pd1 P1 C7 -7.70(11) no . . .
Cl1 Pd1 P1 C13 112.25(11) no . . .
P1 Pd1 Cl1 Pd1 178.67(7) no . . 2_666
Cl2 Pd1 Cl1 Pd1 179.08(8) no . 2_666 2_666
Cl2 Pd1 P1 C1 50.75(11) no . . .
Cl2 Pd1 P1 C7 173.13(11) no . . .
Cl2 Pd1 P1 C13 -66.92(11) no . . .
Pd1 P1 C1 C2 36.4(5) no . . .
Pd1 P1 C1 C6 163.5(3) no . . .
Pd1 P1 C7 C8 -67.7(5) no . . .
Pd1 P1 C7 C12 164.5(4) no . . .
Pd1 P1 C13 C14 -49.1(6) no . . .
Pd1 P1 C13 C18 130.8(5) no . . .
C1 P1 C7 C8 54.2(5) no . . .
C1 P1 C7 C12 -73.6(5) no . . .
C7 P1 C1 C2 -86.8(5) no . . .
C7 P1 C1 C6 40.3(5) no . . .
C1 P1 C13 C14 -168.4(5) no . . .
C1 P1 C13 C18 11.5(6) no . . .
C13 P1 C1 C2 156.7(5) no . . .
C13 P1 C1 C6 -76.2(5) no . . .
C7 P1 C13 C14 73.3(6) no . . .
C7 P1 C13 C18 -106.8(6) no . . .
C13 P1 C7 C8 170.2(4) no . . .
C13 P1 C7 C12 42.5(6) no . . .
C25 O20 C20 C19 -172.5(6) no . . .
C25 O20 C20 C21 8.6(10) no . . .
C26 O24 C24 C19 -170.9(6) no . . .
C26 O24 C24 C23 11.5(10) no . . .
P1 C1 C2 C3 -165.7(5) no . . .
P1 C1 C6 C5 170.0(4) no . . .
C2 C1 C6 C5 -60.4(7) no . . .
C6 C1 C2 C3 62.3(8) no . . .
C1 C2 C3 C4 -59.3(8) no . . .
C2 C3 C4 C5 54.8(9) no . . .
C3 C4 C5 C6 -54.8(10) no . . .
C4 C5 C6 C1 58.4(8) no . . .
P1 C7 C8 C9 168.3(5) no . . .
P1 C7 C12 C11 -173.7(5) no . . .
C8 C7 C12 C11 58.2(8) no . . .
C12 C7 C8 C9 -60.8(8) no . . .
C7 C8 C9 C10 58.1(8) no . . .
C8 C9 C10 C11 -56.0(9) no . . .
C9 C10 C11 C12 55.5(9) no . . .
C10 C11 C12 C7 -56.2(9) no . . .
P1 C13 C14 C15 177.1(5) no . . .
P1 C13 C14 C19 4.0(11) no . . .
P1 C13 C18 C17 -177.5(5) no . . .
C14 C13 C18 C17 2.4(11) no . . .
C18 C13 C14 C15 -2.9(11) no . . .
C18 C13 C14 C19 -175.9(7) no . . .
C13 C14 C15 C16 2.9(12) no . . .
C13 C14 C19 C20 90.3(9) no . . .
C13 C14 C19 C24 -96.3(9) no . . .
C15 C14 C19 C20 -82.9(9) no . . .
C15 C14 C19 C24 90.4(9) no . . .
C19 C14 C15 C16 176.5(7) no . . .
C14 C15 C16 C17 -2.3(12) no . . .
C15 C16 C17 C18 1.8(12) no . . .
C16 C17 C18 C13 -1.9(12) no . . .
C14 C19 C20 O20 -0.0(9) no . . .
C14 C19 C20 C21 179.0(6) no . . .
C14 C19 C24 O24 4.1(10) no . . .
C14 C19 C24 C23 -178.2(6) no . . .
C20 C19 C24 O24 177.5(6) no . . .
C20 C19 C24 C23 -4.8(10) no . . .
C24 C19 C20 O20 -173.6(6) no . . .
C24 C19 C20 C21 5.4(10) no . . .
O20 C20 C21 C22 175.3(6) no . . .
C19 C20 C21 C22 -3.6(11) no . . .
C20 C21 C22 C23 1.3(11) no . . .
C21 C22 C23 C24 -0.7(11) no . . .
C22 C23 C24 O24 -180.0(7) no . . .
C22 C23 C24 C19 2.6(11) no . . .
