#------------------------------------------------------------------------------
#$Date: 2022-02-04 20:30:54 +0100 (vie 04 de feb de 2022) $
#$Revision: 272648 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/89/7708919.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_7708919
loop_
_publ_author_name
'Chishiro, Akane'
'Konishi, Masafumi'
'Inaba, Ryoto'
'Yumura, Takashi'
'Imoto, Hiroaki'
'Naka, Kensuke'
_publ_section_title
;
 Tertiary arsine ligands for the Stille coupling reaction.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              95
_journal_page_last               103
_journal_paper_doi               10.1039/d1dt02955j
_journal_volume                  51
_journal_year                    2021
_chemical_formula_moiety         'C36 H24 As2 Cl2 F6 Pd'
_chemical_formula_sum            'C36 H24 As2 Cl2 F6 Pd'
_chemical_formula_weight         897.73
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-06-01 deposited with the CCDC.	2021-11-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 115.517(17)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   28.176(13)
_cell_length_b                   8.095(2)
_cell_length_c                   17.069(7)
_cell_measurement_reflns_used    3686
_cell_measurement_temperature    273
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.10
_cell_volume                     3513(2)
_computing_cell_refinement       DTREK
_computing_data_collection       DTREK
_computing_data_reduction        DTREK
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273
_diffrn_detector_area_resol_mean 13.653
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0533
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16968
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.445
_diffrn_reflns_theta_min         3.104
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.607
_exptl_absorpt_correction_T_max  0.791
_exptl_absorpt_correction_T_min  0.586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1760.00
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.83
_refine_diff_density_min         -0.99
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     214
_refine_ls_number_reflns         4002
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0812P)²+2.0008P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1329
_refine_ls_wR_factor_ref         0.1478
_reflns_number_gt                3034
_reflns_number_total             4002
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d1dt02955j2.cif
_cod_data_source_block           1a-Pd
_cod_depositor_comments
'Adding full bibliography for 7708916--7708920.cif.'
_cod_database_code               7708919
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-Y,1/2+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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.25 0.25 0.5 0.04171(17) Uani 1 4 d . . .
As1 As 0.16757(2) 0.10421(6) 0.45438(3) 0.04345(17) Uani 1 8 d . . .
Cl1 Cl 0.28256(6) 0.04978(19) 0.44241(10) 0.0711(4) Uani 1 8 d . . .
F1 F -0.0158(3) 0.5618(11) 0.3625(5) 0.217(4) Uani 1 8 d . . .
F2 F 0.11190(19) -0.3390(6) 0.1446(3) 0.1048(14) Uani 1 8 d . . .
F3 F 0.1739(2) -0.3137(5) 0.7501(3) 0.1039(14) Uani 1 8 d . . .
C1 C 0.1055(2) 0.2447(6) 0.4225(3) 0.0558(13) Uani 1 8 d . . .
C2 C 0.1041(3) 0.3877(7) 0.3778(4) 0.0700(16) Uani 1 8 d . . .
C3 C 0.0620(4) 0.4955(10) 0.3543(5) 0.098(3) Uani 1 8 d . . .
C4 C 0.0239(4) 0.4540(15) 0.3793(6) 0.130(4) Uani 1 8 d . . .
C5 C 0.0245(4) 0.3157(16) 0.4250(7) 0.140(4) Uani 1 8 d . . .
C6 C 0.0664(3) 0.2071(11) 0.4464(5) 0.091(2) Uani 1 8 d . . .
C7 C 0.14597(19) -0.0455(6) 0.3567(3) 0.0480(10) Uani 1 8 d . . .
C8 C 0.1042(2) -0.0102(7) 0.2790(3) 0.0595(13) Uani 1 8 d . . .
C9 C 0.0919(3) -0.1122(8) 0.2081(4) 0.0684(16) Uani 1 8 d . . .
C10 C 0.1227(3) -0.2449(7) 0.2159(4) 0.0664(16) Uani 1 8 d . . .
C11 C 0.1642(3) -0.2860(7) 0.2914(5) 0.0716(17) Uani 1 8 d . . .
C12 C 0.1765(2) -0.1850(6) 0.3636(4) 0.0595(13) Uani 1 8 d . . .
C13 C 0.1688(2) -0.0327(6) 0.5475(3) 0.0497(11) Uani 1 8 d . . .
C14 C 0.1382(3) -0.1741(7) 0.5314(4) 0.0655(14) Uani 1 8 d . . .
C15 C 0.1396(3) -0.2714(7) 0.6004(5) 0.0758(18) Uani 1 8 d . . .
C16 C 0.1717(3) -0.2215(8) 0.6820(4) 0.0695(17) Uani 1 8 d . . .
C17 C 0.2025(3) -0.0832(8) 0.7011(4) 0.0700(16) Uani 1 8 d . . .
C18 C 0.2006(2) 0.0118(7) 0.6321(3) 0.0580(13) Uani 1 8 d . . .
H2 H 0.13158 0.41205 0.36332 0.0840 Uiso 1 8 calc R . .
H3 H 0.0599 0.59135 0.32292 0.1177 Uiso 1 8 calc R . .
H5 H -0.00237 0.29461 0.44142 0.1677 Uiso 1 8 calc R . .
H6 H 0.06768 0.11015 0.47647 0.1097 Uiso 1 8 calc R . .
H8 H 0.0839 0.0833 0.2741 0.0714 Uiso 1 8 calc R . .
H9 H 0.06292 -0.08995 0.15594 0.0821 Uiso 1 8 calc R . .
H11 H 0.18405 -0.37978 0.29489 0.0860 Uiso 1 8 calc R . .
H12 H 0.2048 -0.21056 0.41605 0.0714 Uiso 1 8 calc R . .
H14 H 0.11658 -0.20447 0.47456 0.0786 Uiso 1 8 calc R . .
H15 H 0.11929 -0.36648 0.59043 0.0909 Uiso 1 8 calc R . .
H17 H 0.22391 -0.05379 0.75821 0.0840 Uiso 1 8 calc R . .
H18 H 0.22107 0.10676 0.64305 0.0696 Uiso 1 8 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
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
As As 0.0499 2.0058
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(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_2
_geom_angle_site_symmetry_3
As1 Pd1 As1 180.00(2) yes . . 7_556
As1 Pd1 Cl1 91.33(5) yes . . .
As1 Pd1 Cl1 88.67(5) yes . . 7_556
As1 Pd1 Cl1 88.67(5) yes 7_556 . .
As1 Pd1 Cl1 91.33(5) yes 7_556 . 7_556
Cl1 Pd1 Cl1 180.00(8) yes . . 7_556
Pd1 As1 C1 115.20(17) yes . . .
Pd1 As1 C7 119.05(18) yes . . .
Pd1 As1 C13 110.01(14) yes . . .
C1 As1 C7 102.3(2) yes . . .
C1 As1 C13 105.1(3) yes . . .
C7 As1 C13 103.8(2) yes . . .
As1 C1 C2 116.9(5) yes . . .
As1 C1 C6 121.9(5) yes . . .
C2 C1 C6 121.2(6) yes . . .
C1 C2 C3 120.5(8) yes . . .
C2 C3 C4 116.5(8) yes . . .
F1 C4 C3 117.9(10) yes . . .
F1 C4 C5 117.2(12) yes . . .
C3 C4 C5 124.7(11) yes . . .
C4 C5 C6 118.1(11) yes . . .
C1 C6 C5 119.0(9) yes . . .
As1 C7 C8 121.5(4) yes . . .
As1 C7 C12 118.7(3) yes . . .
C8 C7 C12 119.5(5) yes . . .
C7 C8 C9 120.7(5) yes . . .
C8 C9 C10 118.7(5) yes . . .
F2 C10 C9 118.1(5) yes . . .
F2 C10 C11 119.0(6) yes . . .
C9 C10 C11 122.9(6) yes . . .
C10 C11 C12 118.8(6) yes . . .
C7 C12 C11 119.4(5) yes . . .
As1 C13 C14 121.6(4) yes . . .
As1 C13 C18 119.1(4) yes . . .
C14 C13 C18 119.4(5) yes . . .
C13 C14 C15 120.5(5) yes . . .
C14 C15 C16 117.4(6) yes . . .
F3 C16 C15 118.6(6) yes . . .
F3 C16 C17 117.1(5) yes . . .
C15 C16 C17 124.3(7) yes . . .
C16 C17 C18 117.6(5) yes . . .
C13 C18 C17 120.9(5) yes . . .
C1 C2 H2 119.767 no . . .
C3 C2 H2 119.764 no . . .
C2 C3 H3 121.734 no . . .
C4 C3 H3 121.723 no . . .
C4 C5 H5 120.959 no . . .
C6 C5 H5 120.965 no . . .
C1 C6 H6 120.493 no . . .
C5 C6 H6 120.485 no . . .
C7 C8 H8 119.672 no . . .
C9 C8 H8 119.677 no . . .
C8 C9 H9 120.619 no . . .
C10 C9 H9 120.638 no . . .
C10 C11 H11 120.616 no . . .
C12 C11 H11 120.602 no . . .
C7 C12 H12 120.294 no . . .
C11 C12 H12 120.277 no . . .
C13 C14 H14 119.751 no . . .
C15 C14 H14 119.737 no . . .
C14 C15 H15 121.311 no . . .
C16 C15 H15 121.321 no . . .
C16 C17 H17 121.209 no . . .
C18 C17 H17 121.213 no . . .
C13 C18 H18 119.559 no . . .
C17 C18 H18 119.558 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_1
_geom_bond_site_symmetry_2
Pd1 As1 2.4156(11) yes . .
Pd1 As1 2.4156(11) yes . 7_556
Pd1 Cl1 2.2829(19) yes . .
Pd1 Cl1 2.2829(19) yes . 7_556
As1 C1 1.956(6) yes . .
As1 C7 1.935(5) yes . .
As1 C13 1.925(6) yes . .
F1 C4 1.349(15) yes . .
F2 C10 1.355(8) yes . .
F3 C16 1.361(9) yes . .
C1 C2 1.378(8) yes . .
C1 C6 1.365(12) yes . .
C2 C3 1.386(11) yes . .
C3 C4 1.355(17) yes . .
C4 C5 1.361(18) yes . .
C5 C6 1.388(14) yes . .
C7 C8 1.372(6) yes . .
C7 C12 1.393(8) yes . .
C8 C9 1.380(8) yes . .
C9 C10 1.352(9) yes . .
C10 C11 1.355(8) yes . .
C11 C12 1.393(9) yes . .
C13 C14 1.387(8) yes . .
C13 C18 1.380(6) yes . .
C14 C15 1.402(11) yes . .
C15 C16 1.355(9) yes . .
C16 C17 1.367(9) yes . .
C17 C18 1.388(9) yes . .
C2 H2 0.930 no . .
C3 H3 0.930 no . .
C5 H5 0.930 no . .
C6 H6 0.930 no . .
C8 H8 0.930 no . .
C9 H9 0.930 no . .
C11 H11 0.930 no . .
C12 H12 0.930 no . .
C14 H14 0.930 no . .
C15 H15 0.930 no . .
C17 H17 0.930 no . .
C18 H18 0.930 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_1
_geom_contact_site_symmetry_2
Pd1 C13 3.567(6) no . 7_556
Cl1 C1 3.430(6) no . 7_556
Cl1 C2 3.381(6) no . 7_556
Cl1 C7 3.563(5) no . .
Cl1 C12 3.300(6) no . .
F1 C2 3.563(12) no . .
F1 C6 3.576(12) no . .
F2 C8 3.582(8) no . .
F3 C18 3.588(8) no . .
C1 C4 2.690(13) no . .
C1 C8 3.190(9) no . .
C2 C5 2.751(15) no . .
C3 C6 2.787(12) no . .
C6 C13 3.284(9) no . .
C7 C10 2.730(8) no . .
C7 C14 3.254(10) no . .
C8 C11 2.753(9) no . .
C9 C12 2.761(7) no . .
C12 C13 3.464(9) no . .
C12 C14 3.469(11) no . .
C13 C16 2.729(9) no . .
C14 C17 2.772(8) no . .
C15 C18 2.775(9) no . .
Cl1 C15 3.435(9) no . 7_546
F1 F2 2.778(11) no . 2_565
F1 C3 3.394(11) no . 2_555
F1 C9 3.285(10) no . 2_565
F1 C10 3.139(10) no . 2_565
F2 F1 2.778(11) no . 2_545
F2 F3 3.389(6) no . 4_544
F2 C5 3.492(10) no . 4_554
F2 C6 3.239(9) no . 4_554
F2 C15 3.410(8) no . 4_544
F3 F2 3.389(6) no . 4_545
F3 C2 3.560(10) no . 4_555
F3 C8 3.437(8) no . 4_555
F3 C11 3.353(8) no . 4_545
F3 C18 3.524(7) no . 6_546
C2 F3 3.560(10) no . 4_554
C3 F1 3.394(11) no . 2_555
C5 F2 3.492(10) no . 4_555
C6 F2 3.239(9) no . 4_555
C8 F3 3.437(8) no . 4_554
C8 C16 3.550(11) no . 4_554
C9 F1 3.285(10) no . 2_545
C9 C17 3.543(11) no . 4_554
C10 F1 3.139(10) no . 2_545
C10 C17 3.558(10) no . 4_554
C11 F3 3.353(8) no . 4_544
C15 Cl1 3.435(9) no . 7_546
C15 F2 3.410(8) no . 4_545
C16 C8 3.550(11) no . 4_555
C17 C9 3.543(11) no . 4_555
C17 C10 3.558(10) no . 4_555
C18 F3 3.524(7) no . 6_556
Pd1 H2 3.4043 no . .
Pd1 H2 3.4043 no . 7_556
Pd1 H18 3.1122 no . .
Pd1 H18 3.1122 no . 7_556
As1 H2 2.8802 no . .
As1 H6 2.9967 no . .
As1 H8 2.9674 no . .
As1 H12 2.9346 no . .
As1 H14 2.9753 no . .
As1 H18 2.9088 no . .
Cl1 H2 3.1674 no . 7_556
Cl1 H12 2.9316 no . .
Cl1 H18 3.1208 no . 7_556
F1 H3 2.5094 no . .
F1 H5 2.4893 no . .
F2 H9 2.4975 no . .
F2 H11 2.5163 no . .
F3 H15 2.5225 no . .
F3 H17 2.5028 no . .
C1 H3 3.2459 no . .
C1 H5 3.2179 no . .
C1 H8 2.6768 no . .
C2 H6 3.2285 no . .
C2 H8 2.9428 no . .
C3 H5 3.2353 no . .
C4 H2 3.1776 no . .
C4 H6 3.2024 no . .
C5 H3 3.2410 no . .
C6 H2 3.2222 no . .
C6 H8 3.3385 no . .
C6 H14 3.5702 no . .
C7 H9 3.2310 no . .
C7 H11 3.2499 no . .
C7 H14 2.7972 no . .
C8 H12 3.2290 no . .
C8 H14 3.5675 no . .
C9 H11 3.2120 no . .
C10 H8 3.1904 no . .
C10 H12 3.2073 no . .
C11 H9 3.2125 no . .
C12 H8 3.2282 no . .
C12 H14 3.0347 no . .
C13 H6 2.8193 no . .
C13 H12 3.1772 no . .
C13 H15 3.2656 no . .
C13 H17 3.2506 no . .
C14 H6 2.9179 no . .
C14 H12 3.2670 no . .
C14 H18 3.2273 no . .
C15 H17 3.2392 no . .
C16 H14 3.1979 no . .
C16 H18 3.1987 no . .
C17 H15 3.2414 no . .
C18 H14 3.2274 no . .
H2 H3 2.3369 no . .
H2 H8 3.0729 no . .
H5 H6 2.3378 no . .
H6 H14 2.9024 no . .
H8 H9 2.3145 no . .
H11 H12 2.3352 no . .
H12 H14 3.0524 no . .
H14 H15 2.3467 no . .
H17 H18 2.3289 no . .
Cl1 H12 3.5724 no . 7_546
Cl1 H15 3.3910 no . 7_546
Cl1 H17 2.8532 no . 4_554
F1 H3 2.8686 no . 2_555
F1 H5 3.3679 no . 3_566
F1 H9 3.0745 no . 2_565
F2 H5 3.5916 no . 4_554
F2 H6 3.1837 no . 4_554
F2 H15 2.5974 no . 4_544
F3 H2 2.7883 no . 4_555
F3 H8 3.3116 no . 4_555
F3 H11 2.5760 no . 4_545
F3 H17 3.5276 no . 6_546
F3 H18 2.8022 no . 6_546
C3 H3 3.5486 no . 2_555
C3 H14 3.1242 no . 1_565
C4 H3 3.4211 no . 2_555
C7 H17 3.3875 no . 4_554
C8 H17 3.5794 no . 4_554
C9 H3 3.4546 no . 1_545
C10 H3 3.3184 no . 1_545
C10 H17 3.5666 no . 4_554
C11 H2 3.0492 no . 1_545
C11 H3 3.3572 no . 1_545
C11 H17 3.3968 no . 4_554
C12 H2 3.4974 no . 1_545
C12 H3 3.5469 no . 1_545
C12 H17 3.2916 no . 4_554
C16 H18 3.4939 no . 6_546
C17 H11 3.1819 no . 7_546
C18 H11 3.1253 no . 7_546
H2 F3 2.7883 no . 4_554
H2 C11 3.0492 no . 1_565
H2 C12 3.4974 no . 1_565
H2 H11 2.8066 no . 1_565
H2 H12 3.5775 no . 1_565
H3 F1 2.8686 no . 2_555
H3 C3 3.5486 no . 2_555
H3 C4 3.4211 no . 2_555
H3 C9 3.4546 no . 1_565
H3 C10 3.3184 no . 1_565
H3 C11 3.3572 no . 1_565
H3 C12 3.5469 no . 1_565
H3 H3 3.2173 no . 2_555
H3 H14 2.9018 no . 1_565
H5 F1 3.3679 no . 3_566
H5 F2 3.5916 no . 4_555
H5 H9 3.5944 no . 2_555
H5 H15 3.1533 no . 3_556
H6 F2 3.1837 no . 4_555
H6 H9 3.1278 no . 4_555
H8 F3 3.3116 no . 4_554
H9 F1 3.0745 no . 2_545
H9 H5 3.5944 no . 2_555
H9 H6 3.1278 no . 4_554
H11 F3 2.5760 no . 4_544
H11 C17 3.1819 no . 7_546
H11 C18 3.1253 no . 7_546
H11 H2 2.8066 no . 1_545
H11 H17 3.1402 no . 7_546
H11 H18 3.0339 no . 7_546
H12 Cl1 3.5724 no . 7_546
H12 H2 3.5775 no . 1_545
H12 H12 2.9698 no . 7_546
H14 C3 3.1242 no . 1_545
H14 H3 2.9018 no . 1_545
H15 Cl1 3.3910 no . 7_546
H15 F2 2.5974 no . 4_545
H15 H5 3.1533 no . 3_556
H17 Cl1 2.8532 no . 4_555
H17 F3 3.5276 no . 6_556
H17 C7 3.3875 no . 4_555
H17 C8 3.5794 no . 4_555
H17 C10 3.5666 no . 4_555
H17 C11 3.3968 no . 4_555
H17 C12 3.2916 no . 4_555
H17 H11 3.1402 no . 7_546
H17 H18 3.2469 no . 6_546
H18 F3 2.8022 no . 6_556
H18 C16 3.4939 no . 6_556
H18 H11 3.0339 no . 7_546
H18 H17 3.2469 no . 6_556
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cl1 Pd1 As1 C1 -147.14(5) no . . . .
Cl1 Pd1 As1 C7 -25.12(4) no . . . .
Cl1 Pd1 As1 C13 94.34(5) no . . . .
Cl1 Pd1 As1 C1 32.86(5) no 7_556 . . .
Cl1 Pd1 As1 C7 154.88(4) no 7_556 . . .
Cl1 Pd1 As1 C13 -85.66(5) no 7_556 . . .
Cl1 Pd1 As1 C1 -32.86(5) no . . 7_556 7_556
Cl1 Pd1 As1 C7 -154.88(4) no . . 7_556 7_556
Cl1 Pd1 As1 C13 85.66(5) no . . 7_556 7_556
Cl1 Pd1 As1 C1 147.14(5) no 7_556 . 7_556 7_556
Cl1 Pd1 As1 C7 25.12(4) no 7_556 . 7_556 7_556
Cl1 Pd1 As1 C13 -94.34(5) no 7_556 . 7_556 7_556
Pd1 As1 C1 C2 38.7(4) no . . . .
Pd1 As1 C1 C6 -138.6(3) no . . . .
Pd1 As1 C7 C8 -110.6(4) no . . . .
Pd1 As1 C7 C12 63.9(4) no . . . .
Pd1 As1 C13 C14 -153.6(3) no . . . .
Pd1 As1 C13 C18 26.9(4) no . . . .
C1 As1 C7 C8 17.7(5) no . . . .
C1 As1 C7 C12 -167.8(4) no . . . .
C7 As1 C1 C2 -91.9(4) no . . . .
C7 As1 C1 C6 90.7(4) no . . . .
C1 As1 C13 C14 81.8(4) no . . . .
C1 As1 C13 C18 -97.7(4) no . . . .
C13 As1 C1 C2 160.0(3) no . . . .
C13 As1 C1 C6 -17.4(4) no . . . .
C7 As1 C13 C14 -25.2(5) no . . . .
C7 As1 C13 C18 155.3(4) no . . . .
C13 As1 C7 C8 126.8(4) no . . . .
C13 As1 C7 C12 -58.7(4) no . . . .
As1 C1 C2 C3 -178.8(3) no . . . .
As1 C1 C6 C5 177.2(4) no . . . .
C2 C1 C6 C5 -0.1(9) no . . . .
C6 C1 C2 C3 -1.4(8) no . . . .
C1 C2 C3 C4 1.5(9) no . . . .
C2 C3 C4 F1 175.6(6) no . . . .
C2 C3 C4 C5 -0.1(13) no . . . .
F1 C4 C5 C6 -177.1(8) no . . . .
C3 C4 C5 C6 -1.3(15) no . . . .
C4 C5 C6 C1 1.4(13) no . . . .
As1 C7 C8 C9 174.9(4) no . . . .
As1 C7 C12 C11 -174.3(4) no . . . .
C8 C7 C12 C11 0.4(9) no . . . .
C12 C7 C8 C9 0.5(9) no . . . .
C7 C8 C9 C10 -1.8(10) no . . . .
C8 C9 C10 F2 -176.6(6) no . . . .
C8 C9 C10 C11 2.5(11) no . . . .
F2 C10 C11 C12 177.4(6) no . . . .
C9 C10 C11 C12 -1.7(12) no . . . .
C10 C11 C12 C7 0.2(11) no . . . .
As1 C13 C14 C15 -179.7(4) no . . . .
As1 C13 C18 C17 179.8(4) no . . . .
C14 C13 C18 C17 0.3(9) no . . . .
C18 C13 C14 C15 -0.2(9) no . . . .
C13 C14 C15 C16 0.0(11) no . . . .
C14 C15 C16 F3 -179.9(6) no . . . .
C14 C15 C16 C17 0.1(12) no . . . .
F3 C16 C17 C18 180.0(6) no . . . .
C15 C16 C17 C18 -0.1(12) no . . . .
C16 C17 C18 C13 -0.1(10) no . . . .
