#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:36:18 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179798 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/94/7009460.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_7009460
loop_
_publ_author_name
'Schmidt, Ulrich'
'Ilg, Kerstin'
'Werner, Helmut'
_publ_section_title
;
 The first palladium(II) complexes containing arsino(phosphino)methanes
 as ligands †
;
_journal_issue                   7
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1005
_journal_paper_doi               10.1039/b001237h
_journal_year                    2000
_chemical_formula_sum            'C65 H88 As2 B Cl3 F24 P2 Pd2'
_chemical_formula_weight         1867.09
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.46(8)
_cell_angle_beta                 96.69(8)
_cell_angle_gamma                101.79(8)
_cell_formula_units_Z            2
_cell_length_a                   14.487(9)
_cell_length_b                   17.323(11)
_cell_length_c                   17.554(12)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.23
_cell_volume                     3892(6)
_computing_cell_refinement       'IPDS (Stoe)'
_computing_data_collection       'IPDS (Stoe)'
_computing_data_reduction        'IPDS (Stoe)'
_computing_molecular_graphics    'Zortep (Zsolnai)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'IPDS (Stoe)'
_diffrn_measurement_method       phi-scans
_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  0.0654
_diffrn_reflns_av_sigmaI/netI    0.0909
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            38138
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.23
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.545
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
no absorption correction
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1876
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.063
_refine_diff_density_min         -0.064
_refine_diff_density_rms         0.007
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.840
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1028
_refine_ls_number_reflns         12934
_refine_ls_number_restraints     636
_refine_ls_restrained_S_all      0.880
_refine_ls_R_factor_all          0.0792
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.150
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0409P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0928
_reflns_number_gt                7671
_reflns_number_total             12934
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b001237h.txt
_cod_data_source_block           8
_cod_original_cell_volume        3892(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009460
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.88362(3) 0.65834(3) 0.22680(3) 0.0620(3) Uani 1 1 d . . .
Pd2 Pd 1.05947(3) 0.81847(3) 0.31333(3) 0.0658(3) Uani 1 1 d . . .
P1 P 1.04151(10) 0.88776(9) 0.22605(9) 0.0639(4) Uani 1 1 d . . .
P2 P 0.94009(11) 0.55899(9) 0.26285(10) 0.0680(5) Uani 1 1 d . . .
As1 As 0.82369(4) 0.75506(3) 0.17117(3) 0.0605(3) Uani 1 1 d . . .
As2 As 1.09490(5) 0.74044(4) 0.40017(4) 0.0726(3) Uani 1 1 d . . .
Cl1 Cl 1.03685(10) 0.68803(8) 0.18232(8) 0.0663(4) Uani 1 1 d . . .
B B 1.4593(5) 1.2292(4) 0.2578(4) 0.0670(16) Uani 1 1 d . . .
F1 F 1.0872(4) 1.2788(3) 0.2878(4) 0.1343(17) Uani 1 1 d U . .
F2 F 1.0556(3) 1.2867(3) 0.1711(4) 0.1269(15) Uani 1 1 d U . .
F3 F 1.1769(3) 1.3773(3) 0.2662(4) 0.1230(16) Uani 1 1 d U . .
F4 F 1.2026(7) 1.0340(6) -0.0494(5) 0.106(2) Uani 0.703(7) 1 d PU A 1
F5 F 1.0820(5) 0.9867(5) -0.0038(4) 0.113(2) Uani 0.703(7) 1 d PU A 1
F6 F 1.2119(5) 0.9580(3) 0.0197(4) 0.0981(18) Uani 0.703(7) 1 d PU A 1
F4^ F 1.2398(14) 1.0231(15) -0.0325(12) 0.103(4) Uani 0.297(7) 1 d PU A 2
F5^ F 1.1006(12) 1.0420(10) -0.0369(8) 0.107(3) Uani 0.297(7) 1 d PU A 2
F6^ F 1.1364(16) 0.9627(9) 0.0187(9) 0.099(3) Uani 0.297(7) 1 d PU A 2
F7 F 1.8219(3) 1.2413(2) 0.2881(2) 0.0950(11) Uani 1 1 d U . .
F8 F 1.7882(3) 1.1059(3) 0.2160(3) 0.1128(13) Uani 1 1 d U . .
F9 F 1.8525(3) 1.1920(4) 0.1659(3) 0.1323(18) Uani 1 1 d U . .
F10 F 1.5278(7) 1.0393(5) -0.0799(4) 0.116(2) Uani 0.709(7) 1 d PU B 1
F11 F 1.6139(4) 1.1581(5) -0.0715(3) 0.1056(19) Uani 0.709(7) 1 d PU B 1
F12 F 1.4672(5) 1.1463(6) -0.0645(5) 0.102(2) Uani 0.709(7) 1 d PU B 1
F10^ F 1.4557(14) 1.0439(12) -0.0743(9) 0.110(3) Uani 0.291(7) 1 d PU B 2
F11^ F 1.5952(13) 1.0841(15) -0.0861(9) 0.108(3) Uani 0.291(7) 1 d PU B 2
F12^ F 1.5059(16) 1.1702(16) -0.0669(14) 0.107(3) Uani 0.291(7) 1 d PU B 2
F13 F 1.4317(4) 1.2249(4) 0.5903(3) 0.1455(19) Uani 1 1 d U . .
F14 F 1.3037(4) 1.1292(3) 0.5255(3) 0.1364(18) Uani 1 1 d U . .
F15 F 1.3216(4) 1.2520(3) 0.5238(3) 0.1120(13) Uani 1 1 d U . .
F17 F 1.4618(9) 0.9145(8) 0.2571(9) 0.106(3) Uani 0.500(9) 1 d PU C 1
F18 F 1.5014(9) 0.9435(6) 0.3880(6) 0.095(2) Uani 0.500(9) 1 d PU C 1
F16 F 1.6017(6) 0.9936(6) 0.3318(8) 0.096(2) Uani 0.500(9) 1 d PU C 1
F16^ F 1.5826(9) 0.9781(7) 0.3702(7) 0.106(3) Uani 0.500(9) 1 d PU C 2
F17^ F 1.5018(10) 0.9313(9) 0.2476(7) 0.094(3) Uani 0.500(9) 1 d PU C 2
F18^ F 1.4401(8) 0.9101(6) 0.3433(7) 0.102(2) Uani 0.500(9) 1 d PU C 2
F19 F 1.5116(5) 1.4959(4) 0.1721(4) 0.156(2) Uani 1 1 d U . .
F20 F 1.3915(4) 1.5034(4) 0.2257(5) 0.167(2) Uani 1 1 d U . .
F21 F 1.5256(4) 1.6029(3) 0.2791(3) 0.1295(16) Uani 1 1 d U . .
F22 F 1.6910(7) 1.6000(4) 0.5366(5) 0.127(2) Uani 0.756(9) 1 d PU D 1
F23 F 1.7578(4) 1.4973(5) 0.4968(4) 0.115(2) Uani 0.756(9) 1 d PU D 1
F24 F 1.6450(6) 1.4889(5) 0.5604(4) 0.114(2) Uani 0.756(9) 1 d PU D 1
F22^ F 1.7555(15) 1.5622(16) 0.4964(12) 0.116(4) Uani 0.244(9) 1 d PU D 2
F23^ F 1.6852(19) 1.4712(16) 0.5409(15) 0.109(3) Uani 0.244(9) 1 d PU D 2
F24^ F 1.6400(17) 1.5787(15) 0.5535(12) 0.111(4) Uani 0.244(9) 1 d PU D 2
C1 C 0.7608(5) 0.6364(4) 0.2716(4) 0.0778(16) Uani 1 1 d . . .
H1A H 0.7066 0.5983 0.2243 0.117 Uiso 1 1 calc R . .
H1B H 0.7466 0.6918 0.3019 0.117 Uiso 1 1 calc R . .
H1C H 0.7705 0.6087 0.3101 0.117 Uiso 1 1 calc R . .
C2 C 1.0695(5) 0.9281(4) 0.4205(4) 0.0813(16) Uani 1 1 d . . .
H2A H 1.1359 0.9509 0.4537 0.122 Uiso 1 1 calc R . .
H2B H 1.0256 0.9132 0.4543 0.122 Uiso 1 1 calc R . .
H2C H 1.0516 0.9721 0.4043 0.122 Uiso 1 1 calc R . .
C3 C 0.9289(4) 0.8295(3) 0.1469(3) 0.0672(13) Uani 1 1 d . . .
H3A H 0.9452 0.7926 0.0943 0.081 Uiso 1 1 calc R . .
H3B H 0.9025 0.8731 0.1350 0.081 Uiso 1 1 calc R . .
C4 C 1.0610(5) 0.6132(4) 0.3313(4) 0.0779(15) Uani 1 1 d . . .
H4A H 1.1087 0.6014 0.2953 0.094 Uiso 1 1 calc R . .
H4B H 1.0694 0.5851 0.3704 0.094 Uiso 1 1 calc R . .
C10 C 1.3461(4) 1.2039(3) 0.2107(3) 0.0637(13) Uani 1 1 d . . .
C11 C 1.2853(4) 1.2567(3) 0.2382(3) 0.0657(13) Uani 1 1 d . . .
H11 H 1.3098 1.3092 0.2878 0.079 Uiso 1 1 calc R . .
C12 C 1.1904(4) 1.2359(3) 0.1961(4) 0.0708(14) Uani 1 1 d . . .
C13 C 1.1525(4) 1.1601(4) 0.1227(4) 0.0726(15) Uani 1 1 d . . .
H13 H 1.0885 1.1464 0.0921 0.087 Uiso 1 1 calc R . .
C14 C 1.2104(4) 1.1051(4) 0.0953(3) 0.0676(14) Uani 1 1 d . A .
C15 C 1.3028(4) 1.1255(3) 0.1393(3) 0.0673(14) Uani 1 1 d . . .
H15 H 1.3395 1.0848 0.1208 0.081 Uiso 1 1 calc R . .
C16 C 1.1282(6) 1.2936(5) 0.2298(6) 0.0986(18) Uani 1 1 d U . .
C17 C 1.1748(5) 1.0249(5) 0.0145(4) 0.0877(16) Uani 1 1 d U . .
C20 C 1.5303(4) 1.1996(3) 0.1924(3) 0.0647(13) Uani 1 1 d . . .
C21 C 1.6244(4) 1.2016(3) 0.2232(3) 0.0653(13) Uani 1 1 d . . .
H21 H 1.6443 1.2177 0.2819 0.078 Uiso 1 1 calc R . .
C22 C 1.6903(4) 1.1813(3) 0.1728(3) 0.0663(13) Uani 1 1 d . . .
C23 C 1.6633(4) 1.1561(4) 0.0863(4) 0.0735(15) Uani 1 1 d . . .
H23 H 1.7074 1.1406 0.0508 0.088 Uiso 1 1 calc R . .
C24 C 1.5719(4) 1.1539(4) 0.0532(3) 0.0725(15) Uani 1 1 d . B .
C25 C 1.5068(4) 1.1769(4) 0.1047(3) 0.0675(13) Uani 1 1 d . . .
H25 H 1.4450 1.1772 0.0802 0.081 Uiso 1 1 calc R . .
C26 C 1.7873(5) 1.1804(5) 0.2094(4) 0.0825(15) Uani 1 1 d U . .
C27 C 1.5417(6) 1.1228(5) -0.0403(4) 0.0897(15) Uani 1 1 d U . .
C30 C 1.4578(4) 1.1788(3) 0.3207(3) 0.0598(12) Uani 1 1 d . . .
C31 C 1.4198(4) 1.2070(3) 0.3932(3) 0.0658(13) Uani 1 1 d . . .
H31 H 1.4011 1.2594 0.4089 0.079 Uiso 1 1 calc R . .
C32 C 1.4084(4) 1.1615(3) 0.4432(3) 0.0673(14) Uani 1 1 d . . .
C33 C 1.4347(4) 1.0846(4) 0.4228(3) 0.0679(14) Uani 1 1 d . . .
H33 H 1.4267 1.0531 0.4566 0.082 Uiso 1 1 calc R . .
C34 C 1.4729(4) 1.0552(3) 0.3521(3) 0.0624(13) Uani 1 1 d . C .
C35 C 1.4828(4) 1.1007(3) 0.3017(3) 0.0621(12) Uani 1 1 d . . .
H35 H 1.5076 1.0778 0.2525 0.075 Uiso 1 1 calc R . .
C36 C 1.3670(6) 1.1928(5) 0.5195(5) 0.0946(17) Uani 1 1 d U . .
C37 C 1.5028(5) 0.9737(4) 0.3294(4) 0.0787(14) Uani 1 1 d U . .
C40 C 1.5019(4) 1.3347(3) 0.3064(3) 0.0643(13) Uani 1 1 d . . .
C41 C 1.4800(4) 1.3853(4) 0.2634(4) 0.0705(14) Uani 1 1 d . . .
H41 H 1.4387 1.3566 0.2089 0.085 Uiso 1 1 calc R . .
C42 C 1.5156(5) 1.4742(4) 0.2968(4) 0.0779(16) Uani 1 1 d . . .
C43 C 1.5783(4) 1.5183(4) 0.3758(4) 0.0765(16) Uani 1 1 d . . .
H43 H 1.6036 1.5796 0.3994 0.092 Uiso 1 1 calc R . .
C44 C 1.6029(4) 1.4710(4) 0.4189(4) 0.0729(15) Uani 1 1 d . D .
C45 C 1.5652(4) 1.3812(3) 0.3852(3) 0.0669(13) Uani 1 1 d . . .
H45 H 1.5830 1.3506 0.4167 0.080 Uiso 1 1 calc R . .
C46 C 1.4828(7) 1.5220(6) 0.2499(7) 0.116(2) Uani 1 1 d U . .
C47 C 1.6746(6) 1.5155(5) 0.5015(4) 0.0908(16) Uani 1 1 d U . .
C50 C 0.7447(4) 0.6821(4) 0.0517(4) 0.0697(14) Uani 1 1 d . . .
C51 C 0.7536(4) 0.8386(3) 0.2372(4) 0.0675(14) Uani 1 1 d . . .
C52 C 0.7000(5) 0.7334(4) 0.0123(4) 0.0834(17) Uani 1 1 d . . .
H52A H 0.7508 0.7809 0.0131 0.125 Uiso 1 1 calc R . .
H52B H 0.6537 0.7572 0.0443 0.125 Uiso 1 1 calc R . .
H52C H 0.6666 0.6952 -0.0462 0.125 Uiso 1 1 calc R . .
C53 C 0.8137(5) 0.6409(4) -0.0009(4) 0.0875(18) Uani 1 1 d . . .
H53A H 0.7764 0.5961 -0.0560 0.131 Uiso 1 1 calc R . .
H53B H 0.8492 0.6145 0.0288 0.131 Uiso 1 1 calc R . .
H53C H 0.8594 0.6857 -0.0092 0.131 Uiso 1 1 calc R . .
C54 C 0.6678(5) 0.6090(4) 0.0553(4) 0.0882(18) Uani 1 1 d . . .
H54A H 0.6291 0.6341 0.0956 0.132 Uiso 1 1 calc R . .
H54B H 0.6995 0.5722 0.0736 0.132 Uiso 1 1 calc R . .
H54C H 0.6259 0.5740 -0.0008 0.132 Uiso 1 1 calc R . .
C55 C 0.8096(5) 0.8776(4) 0.3297(4) 0.0780(16) Uani 1 1 d . . .
H55A H 0.8768 0.9064 0.3337 0.117 Uiso 1 1 calc R . .
H55B H 0.8079 0.8312 0.3488 0.117 Uiso 1 1 calc R . .
H55C H 0.7797 0.9200 0.3653 0.117 Uiso 1 1 calc R . .
C56 C 0.6492(4) 0.7899(4) 0.2288(4) 0.0763(16) Uani 1 1 d . . .
H56A H 0.6190 0.8287 0.2684 0.114 Uiso 1 1 calc R . .
H56B H 0.6489 0.7396 0.2416 0.114 Uiso 1 1 calc R . .
H56C H 0.6129 0.7703 0.1710 0.114 Uiso 1 1 calc R . .
C57 C 0.7546(5) 0.9120(4) 0.2093(4) 0.0775(16) Uani 1 1 d . . .
H57A H 0.7285 0.8875 0.1484 0.116 Uiso 1 1 calc R . .
H57B H 0.8211 0.9478 0.2223 0.116 Uiso 1 1 calc R . .
H57C H 0.7150 0.9479 0.2393 0.116 Uiso 1 1 calc R . .
C60 C 1.0363(5) 0.7532(4) 0.5016(4) 0.0843(17) Uani 1 1 d . . .
C61 C 1.2400(5) 0.7640(5) 0.4320(4) 0.0902(18) Uani 1 1 d . . .
C62 C 0.9326(6) 0.7537(5) 0.4765(4) 0.092(2) Uani 1 1 d . . .
H62A H 0.9001 0.7020 0.4244 0.138 Uiso 1 1 calc R . .
H62B H 0.9319 0.8058 0.4672 0.138 Uiso 1 1 calc R . .
H62C H 0.8989 0.7535 0.5217 0.138 Uiso 1 1 calc R . .
C63 C 1.0373(6) 0.6777(5) 0.5267(4) 0.099(2) Uani 1 1 d . . .
H63A H 1.0134 0.6885 0.5788 0.148 Uiso 1 1 calc R . .
H63B H 1.1034 0.6727 0.5359 0.148 Uiso 1 1 calc R . .
H63C H 0.9957 0.6236 0.4815 0.148 Uiso 1 1 calc R . .
C64 C 1.0910(6) 0.8390(5) 0.5772(4) 0.100(2) Uani 1 1 d . . .
H64A H 1.0565 0.8482 0.6233 0.150 Uiso 1 1 calc R . .
H64B H 1.0953 0.8871 0.5601 0.150 Uiso 1 1 calc R . .
H64C H 1.1562 0.8364 0.5962 0.150 Uiso 1 1 calc R . .
C65 C 1.2829(6) 0.8635(5) 0.4702(5) 0.107(2) Uani 1 1 d . . .
H65A H 1.2581 0.8905 0.5207 0.161 Uiso 1 1 calc R . .
H65B H 1.2644 0.8856 0.4286 0.161 Uiso 1 1 calc R . .
H65C H 1.3534 0.8775 0.4855 0.161 Uiso 1 1 calc R . .
C66 C 1.2731(6) 0.7264(6) 0.4921(5) 0.112(2) Uani 1 1 d . . .
H66A H 1.2406 0.6642 0.4685 0.168 Uiso 1 1 calc R . .
H66B H 1.2569 0.7558 0.5467 0.168 Uiso 1 1 calc R . .
H66C H 1.3431 0.7350 0.4998 0.168 Uiso 1 1 calc R . .
C67 C 1.2742(5) 0.7258(5) 0.3503(5) 0.101(2) Uani 1 1 d . . .
H67A H 1.3442 0.7495 0.3606 0.151 Uiso 1 1 calc R . .
H67B H 1.2419 0.7408 0.3077 0.151 Uiso 1 1 calc R . .
H67C H 1.2585 0.6625 0.3299 0.151 Uiso 1 1 calc R . .
C70 C 0.9571(5) 0.4689(4) 0.1682(4) 0.0799(16) Uani 1 1 d . . .
H70 H 0.9395 0.4151 0.1781 0.096 Uiso 1 1 calc R . .
C71 C 0.8714(5) 0.4986(4) 0.3152(4) 0.0809(17) Uani 1 1 d . . .
H71 H 0.8545 0.5423 0.3642 0.097 Uiso 1 1 calc R . .
C72 C 1.0572(5) 0.4775(4) 0.1523(5) 0.094(2) Uani 1 1 d . . .
H72A H 1.0577 0.4265 0.1024 0.141 Uiso 1 1 calc R . .
H72B H 1.1013 0.4818 0.2014 0.141 Uiso 1 1 calc R . .
H72C H 1.0781 0.5299 0.1426 0.141 Uiso 1 1 calc R . .
C73 C 0.8844(6) 0.4534(5) 0.0895(4) 0.104(2) Uani 1 1 d . . .
H73A H 0.9023 0.5022 0.0739 0.156 Uiso 1 1 calc R . .
H73B H 0.8196 0.4486 0.1016 0.156 Uiso 1 1 calc R . .
H73C H 0.8847 0.3996 0.0428 0.156 Uiso 1 1 calc R . .
C74 C 0.7758(5) 0.4363(4) 0.2550(5) 0.092(2) Uani 1 1 d . . .
H74A H 0.7891 0.3864 0.2119 0.138 Uiso 1 1 calc R . .
H74B H 0.7440 0.4667 0.2277 0.138 Uiso 1 1 calc R . .
H74C H 0.7334 0.4161 0.2871 0.138 Uiso 1 1 calc R . .
C75 C 0.9272(6) 0.4489(4) 0.3496(5) 0.095(2) Uani 1 1 d . . .
H75A H 0.8878 0.4224 0.3796 0.143 Uiso 1 1 calc R . .
H75B H 0.9874 0.4889 0.3886 0.143 Uiso 1 1 calc R . .
H75C H 0.9421 0.4034 0.3028 0.143 Uiso 1 1 calc R . .
C80 C 1.1379(4) 0.8869(4) 0.1642(4) 0.0770(16) Uani 1 1 d . . .
H80 H 1.1510 0.9431 0.1583 0.092 Uiso 1 1 calc R . .
C81 C 1.0435(5) 1.0044(4) 0.2714(4) 0.0766(16) Uani 1 1 d . . .
H81 H 0.9997 1.0123 0.3121 0.092 Uiso 1 1 calc R . .
C82 C 1.2318(5) 0.8869(5) 0.2149(5) 0.097(2) Uani 1 1 d . . .
H82A H 1.2254 0.8296 0.2152 0.146 Uiso 1 1 calc R . .
H82B H 1.2442 0.9309 0.2730 0.146 Uiso 1 1 calc R . .
H82C H 1.2855 0.9002 0.1888 0.146 Uiso 1 1 calc R . .
C83 C 1.1138(5) 0.8146(4) 0.0744(4) 0.0865(18) Uani 1 1 d . . .
H83A H 1.1710 0.8175 0.0498 0.130 Uiso 1 1 calc R . .
H83B H 1.0613 0.8220 0.0396 0.130 Uiso 1 1 calc R . .
H83C H 1.0936 0.7580 0.0766 0.130 Uiso 1 1 calc R . .
C84 C 1.1457(5) 1.0608(4) 0.3221(5) 0.093(2) Uani 1 1 d . . .
H84A H 1.1895 1.0590 0.2833 0.139 Uiso 1 1 calc R . .
H84B H 1.1687 1.0384 0.3621 0.139 Uiso 1 1 calc R . .
H84C H 1.1439 1.1208 0.3531 0.139 Uiso 1 1 calc R . .
C85 C 1.0083(5) 1.0368(4) 0.2075(4) 0.0847(18) Uani 1 1 d . . .
H85A H 1.0143 1.0991 0.2361 0.127 Uiso 1 1 calc R . .
H85B H 0.9405 1.0055 0.1806 0.127 Uiso 1 1 calc R . .
H85C H 1.0473 1.0268 0.1644 0.127 Uiso 1 1 calc R . .
Cl4 Cl 0.5939(2) 1.36859(19) -0.0060(3) 0.1844(16) Uani 1 1 d . . .
C100 C 0.6116(9) 1.3365(10) -0.1129(9) 0.194(6) Uani 1 1 d . . .
H10A H 0.5883 1.2725 -0.1431 0.233 Uiso 1 1 calc R . .
H10B H 0.5720 1.3614 -0.1421 0.233 Uiso 1 1 calc R . .
Cl3 Cl 0.7257(2) 1.3677(3) -0.1189(2) 0.1757(14) 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 0.0033 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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
C1 Pd1 P2 92.43(18) . . ?
C1 Pd1 Cl1 176.3(2) . . ?
P2 Pd1 Cl1 85.91(8) . . ?
C1 Pd1 As1 90.98(18) . . ?
P2 Pd1 As1 173.45(4) . . ?
Cl1 Pd1 As1 91.00(7) . . ?
C1 Pd1 Pd2 126.05(19) . . ?
P2 Pd1 Pd2 100.56(8) . . ?
Cl1 Pd1 Pd2 51.26(7) . . ?
As1 Pd1 Pd2 81.89(7) . . ?
C2 Pd2 P1 92.94(19) . . ?
C2 Pd2 Cl1 176.3(2) . . ?
P1 Pd2 Cl1 85.34(8) . . ?
C2 Pd2 As2 90.63(19) . . ?
P1 Pd2 As2 173.44(4) . . ?
Cl1 Pd2 As2 91.41(7) . . ?
C2 Pd2 Pd1 126.1(2) . . ?
P1 Pd2 Pd1 100.49(8) . . ?
Cl1 Pd2 Pd1 51.22(8) . . ?
As2 Pd2 Pd1 81.76(8) . . ?
C3 P1 C81 106.7(3) . . ?
C3 P1 C80 105.0(3) . . ?
C81 P1 C80 101.8(3) . . ?
C3 P1 Pd2 109.48(19) . . ?
C81 P1 Pd2 120.1(2) . . ?
C80 P1 Pd2 112.6(2) . . ?
C4 P2 C71 106.2(3) . . ?
C4 P2 C70 105.2(3) . . ?
C71 P2 C70 102.2(3) . . ?
C4 P2 Pd1 108.7(2) . . ?
C71 P2 Pd1 121.4(2) . . ?
C70 P2 Pd1 111.8(2) . . ?
C3 As1 C51 103.7(2) . . ?
C3 As1 C50 99.2(2) . . ?
C51 As1 C50 109.9(3) . . ?
C3 As1 Pd1 112.02(18) . . ?
C51 As1 Pd1 121.04(17) . . ?
C50 As1 Pd1 108.74(18) . . ?
C4 As2 C60 104.4(3) . . ?
C4 As2 C61 99.1(3) . . ?
C60 As2 C61 110.5(3) . . ?
C4 As2 Pd2 111.6(2) . . ?
C60 As2 Pd2 120.9(2) . . ?
C61 As2 Pd2 108.2(2) . . ?
Pd1 Cl1 Pd2 77.51(10) . . ?
C40 B C10 109.8(5) . . ?
C40 B C20 104.0(4) . . ?
C10 B C20 113.5(5) . . ?
C40 B C30 114.4(4) . . ?
C10 B C30 104.4(4) . . ?
C20 B C30 110.9(5) . . ?
P1 C3 As1 119.2(3) . . ?
P2 C4 As2 118.5(3) . . ?
C11 C10 C15 115.0(5) . . ?
C11 C10 B 123.3(5) . . ?
C15 C10 B 121.7(5) . . ?
C12 C11 C10 122.7(5) . . ?
C11 C12 C13 120.2(5) . . ?
C11 C12 C16 120.3(6) . . ?
C13 C12 C16 119.6(6) . . ?
C14 C13 C12 118.3(6) . . ?
C15 C14 C13 120.5(5) . . ?
C15 C14 C17 118.9(6) . . ?
C13 C14 C17 120.4(6) . . ?
C14 C15 C10 123.0(5) . . ?
F1 C16 F3 105.5(7) . . ?
F1 C16 F2 105.3(6) . . ?
F3 C16 F2 105.7(6) . . ?
F1 C16 C12 113.3(6) . . ?
F3 C16 C12 112.6(6) . . ?
F2 C16 C12 113.7(7) . . ?
F6^ C17 F4 128.4(10) . . ?
F6^ C17 F5 50.9(11) . . ?
F4 C17 F5 111.2(8) . . ?
F6^ C17 F4^ 119.8(16) . . ?
F4 C17 F4^ 30.2(10) . . ?
F5 C17 F4^ 132.3(10) . . ?
F6^ C17 F6 50.7(12) . . ?
F4 C17 F6 103.7(7) . . ?
F5 C17 F6 99.9(7) . . ?
F4^ C17 F6 78.4(12) . . ?
F6^ C17 F5^ 104.5(13) . . ?
F4 C17 F5^ 67.7(8) . . ?
F5 C17 F5^ 55.2(8) . . ?
F4^ C17 F5^ 97.8(12) . . ?
F6 C17 F5^ 142.4(8) . . ?
F6^ C17 C14 117.0(9) . . ?
F4 C17 C14 114.0(6) . . ?
F5 C17 C14 115.6(6) . . ?
F4^ C17 C14 109.0(10) . . ?
F6 C17 C14 110.9(6) . . ?
F5^ C17 C14 105.8(8) . . ?
C21 C20 C25 114.8(5) . . ?
C21 C20 B 120.0(5) . . ?
C25 C20 B 125.1(5) . . ?
C22 C21 C20 123.7(5) . . ?
C21 C22 C23 119.8(6) . . ?
C21 C22 C26 120.5(5) . . ?
C23 C22 C26 119.6(5) . . ?
C24 C23 C22 118.7(5) . . ?
C23 C24 C25 121.2(5) . . ?
C23 C24 C27 118.5(5) . . ?
C25 C24 C27 120.3(6) . . ?
C24 C25 C20 121.8(6) . . ?
F9 C26 F7 106.5(5) . . ?
F9 C26 F8 106.0(6) . . ?
F7 C26 F8 104.2(5) . . ?
F9 C26 C22 113.7(5) . . ?
F7 C26 C22 112.6(6) . . ?
F8 C26 C22 113.1(5) . . ?
F12^ C27 F11^ 114.0(14) . . ?
F12^ C27 F10 126.5(13) . . ?
F11^ C27 F10 53.4(10) . . ?
F12^ C27 F12 28.9(9) . . ?
F11^ C27 F12 127.8(10) . . ?
F10 C27 F12 110.7(8) . . ?
F12^ C27 F11 76.3(11) . . ?
F11^ C27 F11 52.2(10) . . ?
F10 C27 F11 104.5(7) . . ?
F12 C27 F11 103.9(7) . . ?
F12^ C27 C24 117.4(12) . . ?
F11^ C27 C24 117.5(10) . . ?
F10 C27 C24 112.1(7) . . ?
F12 C27 C24 114.4(6) . . ?
F11 C27 C24 110.6(6) . . ?
F12^ C27 F10^ 99.0(13) . . ?
F11^ C27 F10^ 94.7(12) . . ?
F10 C27 F10^ 44.2(8) . . ?
F12 C27 F10^ 73.0(10) . . ?
F11 C27 F10^ 136.9(8) . . ?
C24 C27 F10^ 109.4(7) . . ?
C35 C30 C31 114.9(5) . . ?
C35 C30 B 123.7(4) . . ?
C31 C30 B 121.0(5) . . ?
C32 C31 C30 122.8(5) . . ?
C33 C32 C31 120.7(5) . . ?
C33 C32 C36 117.8(5) . . ?
C31 C32 C36 121.4(5) . . ?
C34 C33 C32 118.1(5) . . ?
C33 C34 C35 120.8(5) . . ?
C33 C34 C37 119.3(5) . . ?
C35 C34 C37 119.9(5) . . ?
C34 C35 C30 122.7(5) . . ?
F15 C36 F13 106.6(6) . . ?
F15 C36 F14 105.6(6) . . ?
F13 C36 F14 103.4(6) . . ?
F15 C36 C32 114.8(6) . . ?
F13 C36 C32 113.1(6) . . ?
F14 C36 C32 112.4(6) . . ?
F16^ C37 F17 123.8(9) . . ?
F16^ C37 F18 62.2(8) . . ?
F17 C37 F18 111.3(9) . . ?
F16^ C37 F17^ 106.9(9) . . ?
F17 C37 F17^ 29.3(7) . . ?
F18 C37 F17^ 128.4(8) . . ?
F16^ C37 F18^ 101.4(8) . . ?
F17 C37 F18^ 74.2(9) . . ?
F18 C37 F18^ 43.6(5) . . ?
F17^ C37 F18^ 100.9(8) . . ?
F16^ C37 F16 37.8(6) . . ?
F17 C37 F16 107.1(8) . . ?
F18 C37 F16 99.6(9) . . ?
F17^ C37 F16 80.1(7) . . ?
F18^ C37 F16 133.3(8) . . ?
F16^ C37 C34 117.1(7) . . ?
F17 C37 C34 115.7(9) . . ?
F18 C37 C34 113.6(6) . . ?
F17^ C37 C34 115.4(8) . . ?
F18^ C37 C34 113.0(6) . . ?
F16 C37 C34 108.0(6) . . ?
C45 C40 C41 115.2(5) . . ?
C45 C40 B 126.3(5) . . ?
C41 C40 B 118.3(5) . . ?
C42 C41 C40 123.2(6) . . ?
C41 C42 C43 119.9(6) . . ?
C41 C42 C46 119.1(6) . . ?
C43 C42 C46 120.9(6) . . ?
C44 C43 C42 118.6(5) . . ?
C43 C44 C45 121.0(5) . . ?
C43 C44 C47 119.9(6) . . ?
C45 C44 C47 119.0(6) . . ?
C44 C45 C40 122.1(6) . . ?
F20 C46 F21 114.2(8) . . ?
F20 C46 F19 101.3(8) . . ?
F21 C46 F19 97.8(7) . . ?
F20 C46 C42 114.7(7) . . ?
F21 C46 C42 116.5(8) . . ?
F19 C46 C42 109.5(8) . . ?
F23^ C47 F22 124.1(12) . . ?
F23^ C47 F23 70.8(14) . . ?
F22 C47 F23 108.2(7) . . ?
F23^ C47 F22^ 114.7(17) . . ?
F22 C47 F22^ 62.5(12) . . ?
F23 C47 F22^ 51.1(12) . . ?
F23^ C47 F24^ 103.6(16) . . ?
F22 C47 F24^ 38.9(9) . . ?
F23 C47 F24^ 137.5(11) . . ?
F22^ C47 F24^ 100.9(15) . . ?
F23^ C47 F24 34.0(12) . . ?
F22 C47 F24 104.9(7) . . ?
F23 C47 F24 103.3(8) . . ?
F22^ C47 F24 135.1(11) . . ?
F24^ C47 F24 73.1(12) . . ?
F23^ C47 C44 116.3(12) . . ?
F22 C47 C44 114.6(7) . . ?
F23 C47 C44 113.1(6) . . ?
F22^ C47 C44 112.3(10) . . ?
F24^ C47 C44 107.0(11) . . ?
F24 C47 C44 111.9(6) . . ?
C52 C50 C54 111.7(5) . . ?
C52 C50 C53 109.6(5) . . ?
C54 C50 C53 108.0(5) . . ?
C52 C50 As1 113.8(4) . . ?
C54 C50 As1 107.0(4) . . ?
C53 C50 As1 106.5(4) . . ?
C57 C51 C56 110.0(5) . . ?
C57 C51 C55 108.7(5) . . ?
C56 C51 C55 110.4(5) . . ?
C57 C51 As1 112.3(4) . . ?
C56 C51 As1 110.0(4) . . ?
C55 C51 As1 105.3(4) . . ?
C62 C60 C63 109.4(6) . . ?
C62 C60 C64 109.8(6) . . ?
C63 C60 C64 109.1(6) . . ?
C62 C60 As2 106.4(4) . . ?
C63 C60 As2 111.8(5) . . ?
C64 C60 As2 110.4(5) . . ?
C66 C61 C67 109.9(6) . . ?
C66 C61 C65 111.1(6) . . ?
C67 C61 C65 107.5(6) . . ?
C66 C61 As2 114.1(5) . . ?
C67 C61 As2 106.9(5) . . ?
C65 C61 As2 107.0(5) . . ?
C72 C70 C73 110.9(6) . . ?
C72 C70 P2 116.6(5) . . ?
C73 C70 P2 109.7(4) . . ?
C75 C71 C74 109.7(6) . . ?
C75 C71 P2 114.6(5) . . ?
C74 C71 P2 110.5(5) . . ?
C83 C80 C82 110.2(6) . . ?
C83 C80 P1 116.6(4) . . ?
C82 C80 P1 109.8(4) . . ?
C85 C81 C84 110.0(5) . . ?
C85 C81 P1 114.7(4) . . ?
C84 C81 P1 110.1(5) . . ?
Cl3 C100 Cl4 113.8(7) . . ?
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 C1 2.052(6) . ?
Pd1 P2 2.306(2) . ?
Pd1 Cl1 2.459(2) . ?
Pd1 As1 2.4823(18) . ?
Pd1 Pd2 3.079(4) . ?
Pd2 C2 2.064(6) . ?
Pd2 P1 2.301(2) . ?
Pd2 Cl1 2.460(3) . ?
Pd2 As2 2.4678(18) . ?
P1 C3 1.827(6) . ?
P1 C81 1.860(6) . ?
P1 C80 1.865(6) . ?
P2 C4 1.835(7) . ?
P2 C71 1.857(6) . ?
P2 C70 1.878(6) . ?
As1 C3 1.984(6) . ?
As1 C51 2.015(6) . ?
As1 C50 2.032(6) . ?
As2 C4 1.987(6) . ?
As2 C60 2.017(7) . ?
As2 C61 2.024(7) . ?
B C40 1.636(8) . ?
B C10 1.636(9) . ?
B C20 1.637(8) . ?
B C30 1.648(8) . ?
F1 C16 1.315(9) . ?
F2 C16 1.337(10) . ?
F3 C16 1.332(8) . ?
F4 C17 1.289(10) . ?
F5 C17 1.311(9) . ?
F6 C17 1.401(10) . ?
F4^ C17 1.32(2) . ?
F5^ C17 1.471(17) . ?
F6^ C17 1.140(15) . ?
F7 C26 1.335(7) . ?
F8 C26 1.341(8) . ?
F9 C26 1.313(7) . ?
F10 C27 1.303(10) . ?
F11 C27 1.377(9) . ?
F12 C27 1.309(11) . ?
F10^ C27 1.511(18) . ?
F11^ C27 1.282(16) . ?
F12^ C27 1.25(2) . ?
F13 C36 1.311(10) . ?
F14 C36 1.329(8) . ?
F15 C36 1.311(8) . ?
F17 C37 1.263(13) . ?
F18 C37 1.321(10) . ?
F16 C37 1.395(11) . ?
F16^ C37 1.259(12) . ?
F17^ C37 1.337(13) . ?
F18^ C37 1.394(10) . ?
F19 C46 1.408(11) . ?
F20 C46 1.275(10) . ?
F21 C46 1.278(9) . ?
F22 C47 1.308(9) . ?
F23 C47 1.311(10) . ?
F24 C47 1.362(10) . ?
F22^ C47 1.31(2) . ?
F23^ C47 1.23(3) . ?
F24^ C47 1.36(2) . ?
C10 C11 1.392(8) . ?
C10 C15 1.407(8) . ?
C11 C12 1.386(8) . ?
C12 C13 1.391(8) . ?
C12 C16 1.484(9) . ?
C13 C14 1.382(9) . ?
C14 C15 1.369(8) . ?
C14 C17 1.496(8) . ?
C20 C21 1.396(8) . ?
C20 C25 1.415(8) . ?
C21 C22 1.383(8) . ?
C22 C23 1.392(8) . ?
C22 C26 1.480(9) . ?
C23 C24 1.370(9) . ?
C24 C25 1.393(8) . ?
C24 C27 1.496(9) . ?
C30 C35 1.398(7) . ?
C30 C31 1.401(7) . ?
C31 C32 1.387(8) . ?
C32 C33 1.386(8) . ?
C32 C36 1.489(8) . ?
C33 C34 1.377(7) . ?
C34 C35 1.393(7) . ?
C34 C37 1.484(8) . ?
C40 C45 1.398(8) . ?
C40 C41 1.414(8) . ?
C41 C42 1.378(8) . ?
C42 C43 1.395(9) . ?
C42 C46 1.476(10) . ?
C43 C44 1.379(9) . ?
C44 C45 1.394(8) . ?
C44 C47 1.497(9) . ?
C50 C52 1.512(9) . ?
C50 C54 1.533(8) . ?
C50 C53 1.539(9) . ?
C51 C57 1.525(8) . ?
C51 C56 1.534(8) . ?
C51 C55 1.544(9) . ?
C60 C62 1.517(10) . ?
C60 C63 1.533(9) . ?
C60 C64 1.538(9) . ?
C61 C66 1.517(10) . ?
C61 C67 1.521(10) . ?
C61 C65 1.546(10) . ?
C70 C72 1.498(9) . ?
C70 C73 1.534(10) . ?
C71 C75 1.527(10) . ?
C71 C74 1.542(10) . ?
C80 C83 1.536(9) . ?
C80 C82 1.536(10) . ?
C81 C85 1.516(9) . ?
C81 C84 1.541(9) . ?
Cl4 C100 1.808(15) . ?
C100 Cl3 1.659(13) . ?
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 Pd1 Pd2 C2 -6.4(3) . . . . ?
P2 Pd1 Pd2 C2 -107.3(2) . . . . ?
Cl1 Pd1 Pd2 C2 176.7(2) . . . . ?
As1 Pd1 Pd2 C2 78.9(2) . . . . ?
C1 Pd1 Pd2 P1 -107.9(2) . . . . ?
P2 Pd1 Pd2 P1 151.20(6) . . . . ?
Cl1 Pd1 Pd2 P1 75.24(8) . . . . ?
As1 Pd1 Pd2 P1 -22.63(5) . . . . ?
C1 Pd1 Pd2 Cl1 176.9(2) . . . . ?
P2 Pd1 Pd2 Cl1 75.97(8) . . . . ?
As1 Pd1 Pd2 Cl1 -97.87(7) . . . . ?
C1 Pd1 Pd2 As2 78.3(2) . . . . ?
P2 Pd1 Pd2 As2 -22.55(5) . . . . ?
Cl1 Pd1 Pd2 As2 -98.52(7) . . . . ?
As1 Pd1 Pd2 As2 163.61(3) . . . . ?
C2 Pd2 P1 C3 -122.8(3) . . . . ?
Cl1 Pd2 P1 C3 53.9(2) . . . . ?
As2 Pd2 P1 C3 114.3(4) . . . . ?
Pd1 Pd2 P1 C3 4.74(19) . . . . ?
C2 Pd2 P1 C81 1.1(3) . . . . ?
Cl1 Pd2 P1 C81 177.8(2) . . . . ?
As2 Pd2 P1 C81 -121.8(4) . . . . ?
Pd1 Pd2 P1 C81 128.6(2) . . . . ?
C2 Pd2 P1 C80 120.9(3) . . . . ?
Cl1 Pd2 P1 C80 -62.4(2) . . . . ?
As2 Pd2 P1 C80 -2.0(5) . . . . ?
Pd1 Pd2 P1 C80 -111.6(2) . . . . ?
C1 Pd1 P2 C4 -124.5(3) . . . . ?
Cl1 Pd1 P2 C4 52.2(2) . . . . ?
As1 Pd1 P2 C4 114.3(4) . . . . ?
Pd2 Pd1 P2 C4 2.9(2) . . . . ?
C1 Pd1 P2 C71 -1.0(3) . . . . ?
Cl1 Pd1 P2 C71 175.8(3) . . . . ?
As1 Pd1 P2 C71 -122.2(5) . . . . ?
Pd2 Pd1 P2 C71 126.4(3) . . . . ?
C1 Pd1 P2 C70 119.8(3) . . . . ?
Cl1 Pd1 P2 C70 -63.4(2) . . . . ?
As1 Pd1 P2 C70 -1.4(5) . . . . ?
Pd2 Pd1 P2 C70 -112.8(2) . . . . ?
C1 Pd1 As1 C3 162.7(3) . . . . ?
P2 Pd1 As1 C3 -76.0(5) . . . . ?
Cl1 Pd1 As1 C3 -14.25(17) . . . . ?
Pd2 Pd1 As1 C3 36.36(18) . . . . ?
C1 Pd1 As1 C51 39.9(3) . . . . ?
P2 Pd1 As1 C51 161.2(4) . . . . ?
Cl1 Pd1 As1 C51 -137.1(2) . . . . ?
Pd2 Pd1 As1 C51 -86.5(2) . . . . ?
C1 Pd1 As1 C50 -88.7(3) . . . . ?
P2 Pd1 As1 C50 32.6(4) . . . . ?
Cl1 Pd1 As1 C50 94.36(19) . . . . ?
Pd2 Pd1 As1 C50 144.96(17) . . . . ?
C2 Pd2 As2 C4 164.2(3) . . . . ?
P1 Pd2 As2 C4 -72.8(4) . . . . ?
Cl1 Pd2 As2 C4 -12.7(2) . . . . ?
Pd1 Pd2 As2 C4 37.8(2) . . . . ?
C2 Pd2 As2 C60 41.0(3) . . . . ?
P1 Pd2 As2 C60 164.0(4) . . . . ?
Cl1 Pd2 As2 C60 -135.9(2) . . . . ?
Pd1 Pd2 As2 C60 -85.4(2) . . . . ?
C2 Pd2 As2 C61 -87.9(3) . . . . ?
P1 Pd2 As2 C61 35.1(4) . . . . ?
Cl1 Pd2 As2 C61 95.3(2) . . . . ?
Pd1 Pd2 As2 C61 145.7(2) . . . . ?
C1 Pd1 Cl1 Pd2 -44(3) . . . . ?
P2 Pd1 Cl1 Pd2 -107.03(8) . . . . ?
As1 Pd1 Cl1 Pd2 78.76(8) . . . . ?
C2 Pd2 Cl1 Pd1 -45(3) . . . . ?
P1 Pd2 Cl1 Pd1 -107.45(8) . . . . ?
As2 Pd2 Cl1 Pd1 78.26(7) . . . . ?
C81 P1 C3 As1 -108.1(3) . . . . ?
C80 P1 C3 As1 144.4(3) . . . . ?
Pd2 P1 C3 As1 23.3(3) . . . . ?
C51 As1 C3 P1 84.6(4) . . . . ?
C50 As1 C3 P1 -162.2(3) . . . . ?
Pd1 As1 C3 P1 -47.5(3) . . . . ?
C71 P2 C4 As2 -105.7(4) . . . . ?
C70 P2 C4 As2 146.4(3) . . . . ?
Pd1 P2 C4 As2 26.5(4) . . . . ?
C60 As2 C4 P2 81.2(4) . . . . ?
C61 As2 C4 P2 -164.7(4) . . . . ?
Pd2 As2 C4 P2 -51.0(4) . . . . ?
C40 B C10 C11 -27.0(7) . . . . ?
C20 B C10 C11 -143.0(5) . . . . ?
C30 B C10 C11 96.1(6) . . . . ?
C40 B C10 C15 153.9(5) . . . . ?
C20 B C10 C15 37.9(7) . . . . ?
C30 B C10 C15 -82.9(6) . . . . ?
C15 C10 C11 C12 -3.0(8) . . . . ?
B C10 C11 C12 177.9(5) . . . . ?
C10 C11 C12 C13 -0.8(8) . . . . ?
C10 C11 C12 C16 178.3(6) . . . . ?
C11 C12 C13 C14 2.7(8) . . . . ?
C16 C12 C13 C14 -176.4(6) . . . . ?
C12 C13 C14 C15 -0.6(8) . . . . ?
C12 C13 C14 C17 -177.0(5) . . . . ?
C13 C14 C15 C10 -3.6(8) . . . . ?
C17 C14 C15 C10 172.9(5) . . . . ?
C11 C10 C15 C14 5.3(7) . . . . ?
B C10 C15 C14 -175.6(5) . . . . ?
C11 C12 C16 F1 -84.4(8) . . . . ?
C13 C12 C16 F1 94.7(8) . . . . ?
C11 C12 C16 F3 35.2(10) . . . . ?
C13 C12 C16 F3 -145.7(7) . . . . ?
C11 C12 C16 F2 155.4(6) . . . . ?
C13 C12 C16 F2 -25.5(8) . . . . ?
C15 C14 C17 F6^ 92.1(16) . . . . ?
C13 C14 C17 F6^ -91.3(16) . . . . ?
C15 C14 C17 F4 -79.9(9) . . . . ?
C13 C14 C17 F4 96.6(9) . . . . ?
C15 C14 C17 F5 149.4(8) . . . . ?
C13 C14 C17 F5 -34.0(10) . . . . ?
C15 C14 C17 F4^ -47.8(14) . . . . ?
C13 C14 C17 F4^ 128.7(13) . . . . ?
C15 C14 C17 F6 36.6(8) . . . . ?
C13 C14 C17 F6 -146.8(6) . . . . ?
C15 C14 C17 F5^ -152.1(9) . . . . ?
C13 C14 C17 F5^ 24.5(10) . . . . ?
C40 B C20 C21 72.9(6) . . . . ?
C10 B C20 C21 -167.8(5) . . . . ?
C30 B C20 C21 -50.6(6) . . . . ?
C40 B C20 C25 -102.4(6) . . . . ?
C10 B C20 C25 16.9(7) . . . . ?
C30 B C20 C25 134.1(5) . . . . ?
C25 C20 C21 C22 -1.3(8) . . . . ?
B C20 C21 C22 -177.1(5) . . . . ?
C20 C21 C22 C23 -1.0(8) . . . . ?
C20 C21 C22 C26 -176.8(5) . . . . ?
C21 C22 C23 C24 1.5(8) . . . . ?
C26 C22 C23 C24 177.4(6) . . . . ?
C22 C23 C24 C25 0.3(9) . . . . ?
C22 C23 C24 C27 -177.2(6) . . . . ?
C23 C24 C25 C20 -2.8(9) . . . . ?
C27 C24 C25 C20 174.7(6) . . . . ?
C21 C20 C25 C24 3.2(8) . . . . ?
B C20 C25 C24 178.7(5) . . . . ?
C21 C22 C26 F9 -156.3(6) . . . . ?
C23 C22 C26 F9 27.8(8) . . . . ?
C21 C22 C26 F7 -35.1(8) . . . . ?
C23 C22 C26 F7 149.1(5) . . . . ?
C21 C22 C26 F8 82.8(7) . . . . ?
C23 C22 C26 F8 -93.1(7) . . . . ?
C23 C24 C27 F12^ -128.7(13) . . . . ?
C25 C24 C27 F12^ 53.8(14) . . . . ?
C23 C24 C27 F11^ 13.3(16) . . . . ?
C25 C24 C27 F11^ -164.2(14) . . . . ?
C23 C24 C27 F10 72.3(9) . . . . ?
C25 C24 C27 F10 -105.2(9) . . . . ?
C23 C24 C27 F12 -160.7(7) . . . . ?
C25 C24 C27 F12 21.8(10) . . . . ?
C23 C24 C27 F11 -43.8(9) . . . . ?
C25 C24 C27 F11 138.6(7) . . . . ?
C23 C24 C27 F10^ 119.7(11) . . . . ?
C25 C24 C27 F10^ -57.8(12) . . . . ?
C40 B C30 C35 -139.2(5) . . . . ?
C10 B C30 C35 100.7(6) . . . . ?
C20 B C30 C35 -21.9(7) . . . . ?
C40 B C30 C31 48.6(7) . . . . ?
C10 B C30 C31 -71.6(6) . . . . ?
C20 B C30 C31 165.8(5) . . . . ?
C35 C30 C31 C32 0.5(8) . . . . ?
B C30 C31 C32 173.4(5) . . . . ?
C30 C31 C32 C33 0.0(9) . . . . ?
C30 C31 C32 C36 -179.5(6) . . . . ?
C31 C32 C33 C34 0.4(9) . . . . ?
C36 C32 C33 C34 179.8(6) . . . . ?
C32 C33 C34 C35 -1.3(8) . . . . ?
C32 C33 C34 C37 179.3(6) . . . . ?
C33 C34 C35 C30 1.8(8) . . . . ?
C37 C34 C35 C30 -178.7(5) . . . . ?
C31 C30 C35 C34 -1.4(8) . . . . ?
B C30 C35 C34 -174.1(5) . . . . ?
C33 C32 C36 F15 -163.5(6) . . . . ?
C31 C32 C36 F15 16.0(10) . . . . ?
C33 C32 C36 F13 73.9(8) . . . . ?
C31 C32 C36 F13 -106.6(8) . . . . ?
C33 C32 C36 F14 -42.7(9) . . . . ?
C31 C32 C36 F14 136.7(7) . . . . ?
C33 C34 C37 F16^ -78.6(10) . . . . ?
C35 C34 C37 F16^ 101.9(10) . . . . ?
C33 C34 C37 F17 121.6(10) . . . . ?
C35 C34 C37 F17 -57.9(11) . . . . ?
C33 C34 C37 F18 -8.9(11) . . . . ?
C35 C34 C37 F18 171.6(8) . . . . ?
C33 C34 C37 F17^ 154.2(8) . . . . ?
C35 C34 C37 F17^ -25.3(11) . . . . ?
C33 C34 C37 F18^ 38.7(10) . . . . ?
C35 C34 C37 F18^ -140.8(8) . . . . ?
C33 C34 C37 F16 -118.4(8) . . . . ?
C35 C34 C37 F16 62.1(9) . . . . ?
C10 B C40 C45 141.1(5) . . . . ?
C20 B C40 C45 -97.1(6) . . . . ?
C30 B C40 C45 24.0(8) . . . . ?
C10 B C40 C41 -44.1(6) . . . . ?
C20 B C40 C41 77.6(6) . . . . ?
C30 B C40 C41 -161.2(5) . . . . ?
C45 C40 C41 C42 -1.7(8) . . . . ?
B C40 C41 C42 -177.1(5) . . . . ?
C40 C41 C42 C43 1.6(9) . . . . ?
C40 C41 C42 C46 -175.5(7) . . . . ?
C41 C42 C43 C44 -0.3(9) . . . . ?
C46 C42 C43 C44 176.8(7) . . . . ?
C42 C43 C44 C45 -0.8(9) . . . . ?
C42 C43 C44 C47 176.4(6) . . . . ?
C43 C44 C45 C40 0.7(9) . . . . ?
C47 C44 C45 C40 -176.6(6) . . . . ?
C41 C40 C45 C44 0.5(8) . . . . ?
B C40 C45 C44 175.5(5) . . . . ?
C41 C42 C46 F20 50.0(12) . . . . ?
C43 C42 C46 F20 -127.1(9) . . . . ?
C41 C42 C46 F21 -172.8(7) . . . . ?
C43 C42 C46 F21 10.1(12) . . . . ?
C41 C42 C46 F19 -63.1(9) . . . . ?
C43 C42 C46 F19 119.8(7) . . . . ?
C43 C44 C47 F23^ 172.3(16) . . . . ?
C45 C44 C47 F23^ -10.4(18) . . . . ?
C43 C44 C47 F22 16.1(11) . . . . ?
C45 C44 C47 F22 -166.6(8) . . . . ?
C43 C44 C47 F23 -108.6(8) . . . . ?
C45 C44 C47 F23 68.7(9) . . . . ?
C43 C44 C47 F22^ -52.8(16) . . . . ?
C45 C44 C47 F22^ 124.5(15) . . . . ?
C43 C44 C47 F24^ 57.1(14) . . . . ?
C45 C44 C47 F24^ -125.6(14) . . . . ?
C43 C44 C47 F24 135.3(8) . . . . ?
C45 C44 C47 F24 -47.4(10) . . . . ?
C3 As1 C50 C52 -65.6(4) . . . . ?
C51 As1 C50 C52 42.7(5) . . . . ?
Pd1 As1 C50 C52 177.3(4) . . . . ?
C3 As1 C50 C54 170.6(4) . . . . ?
C51 As1 C50 C54 -81.1(4) . . . . ?
Pd1 As1 C50 C54 53.4(4) . . . . ?
C3 As1 C50 C53 55.3(4) . . . . ?
C51 As1 C50 C53 163.6(4) . . . . ?
Pd1 As1 C50 C53 -61.9(4) . . . . ?
C3 As1 C51 C57 33.0(5) . . . . ?
C50 As1 C51 C57 -72.2(5) . . . . ?
Pd1 As1 C51 C57 159.7(4) . . . . ?
C3 As1 C51 C56 155.9(4) . . . . ?
C50 As1 C51 C56 50.7(5) . . . . ?
Pd1 As1 C51 C56 -77.4(4) . . . . ?
C3 As1 C51 C55 -85.1(4) . . . . ?
C50 As1 C51 C55 169.7(3) . . . . ?
Pd1 As1 C51 C55 41.6(4) . . . . ?
C4 As2 C60 C62 -86.3(5) . . . . ?
C61 As2 C60 C62 168.1(4) . . . . ?
Pd2 As2 C60 C62 40.3(5) . . . . ?
C4 As2 C60 C63 33.1(6) . . . . ?
C61 As2 C60 C63 -72.5(6) . . . . ?
Pd2 As2 C60 C63 159.7(4) . . . . ?
C4 As2 C60 C64 154.7(5) . . . . ?
C61 As2 C60 C64 49.1(6) . . . . ?
Pd2 As2 C60 C64 -78.7(5) . . . . ?
C4 As2 C61 C66 -68.7(6) . . . . ?
C60 As2 C61 C66 40.4(6) . . . . ?
Pd2 As2 C61 C66 174.9(5) . . . . ?
C4 As2 C61 C67 53.0(5) . . . . ?
C60 As2 C61 C67 162.2(5) . . . . ?
Pd2 As2 C61 C67 -63.4(5) . . . . ?
C4 As2 C61 C65 167.9(5) . . . . ?
C60 As2 C61 C65 -82.9(5) . . . . ?
Pd2 As2 C61 C65 51.6(5) . . . . ?
C4 P2 C70 C72 -20.6(6) . . . . ?
C71 P2 C70 C72 -131.3(6) . . . . ?
Pd1 P2 C70 C72 97.2(5) . . . . ?
C4 P2 C70 C73 -147.7(5) . . . . ?
C71 P2 C70 C73 101.5(5) . . . . ?
Pd1 P2 C70 C73 -29.9(5) . . . . ?
C4 P2 C71 C75 -44.2(5) . . . . ?
C70 P2 C71 C75 65.8(6) . . . . ?
Pd1 P2 C71 C75 -168.9(4) . . . . ?
C4 P2 C71 C74 -168.8(5) . . . . ?
C70 P2 C71 C74 -58.8(5) . . . . ?
Pd1 P2 C71 C74 66.5(5) . . . . ?
C3 P1 C80 C83 -23.3(6) . . . . ?
C81 P1 C80 C83 -134.4(5) . . . . ?
Pd2 P1 C80 C83 95.7(5) . . . . ?
C3 P1 C80 C82 -149.5(5) . . . . ?
C81 P1 C80 C82 99.4(5) . . . . ?
Pd2 P1 C80 C82 -30.5(5) . . . . ?
C3 P1 C81 C85 -41.3(5) . . . . ?
C80 P1 C81 C85 68.4(5) . . . . ?
Pd2 P1 C81 C85 -166.5(4) . . . . ?
C3 P1 C81 C84 -166.0(4) . . . . ?
C80 P1 C81 C84 -56.3(5) . . . . ?
Pd2 P1 C81 C84 68.8(5) . . . . ?
