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#$Date: 2016-03-21 18:51:55 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178827 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/81/4108167.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_4108167
loop_
_publ_author_name
'Miguel Baya'
'Jennifer Houghton'
'Denes Konya'
'Yohan Champouret'
'Jean-Claude Daran'
'Karina Q. Almeida Leñero'
'Lodewijk Schoon'
'Wilhelmus P. Mul'
'A. Bart van Oort'
'Nicolaas Meijboom'
'Eite Drent'
'A. Guy Orpen'
'Rinaldo Poli'
_publ_contact_author_address
;
Laboratoire de Chimie de Coordination
UPR-CNRS 8241
205, route de Narbonne
31077 Toulouse cedex, France
;
_publ_contact_author_email       ' daran@lcc-toulouse.fr '
_publ_contact_author_fax         ' (33) 5 61 55 30 03 '
_publ_contact_author_name        'Daran, Jean-Claude'
_publ_contact_author_phone       ' (33) 5 61 33 31 74 '
_publ_section_title
;
 Pd(I) Phosphine Carbonyl and Hydride Complexes Implicated in the
 Palladium-Catalyzed Oxo Process
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10612
_journal_page_last               10624
_journal_paper_doi               10.1021/ja8012903
_journal_volume                  130
_journal_year                    2008
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C54 H96 P6 Pd3, C2 F6 O6 S2'
_chemical_formula_sum            'C56 H96 F6 O6 P6 Pd3 S2'
_chemical_formula_weight         1548.47
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           173
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   23.452(3)
_cell_length_b                   23.452(3)
_cell_length_c                   10.6808(15)
_cell_measurement_reflns_used    8680
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.2
_cell_measurement_theta_min      2.1
_cell_volume                     5087.4(12)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart 1000'
_diffrn_measurement_method       'φ and ω'
_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  0.0865
_diffrn_reflns_av_sigmaI/netI    0.0693
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            26852
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    1.106
_exptl_absorpt_correction_T_max  0.862090
_exptl_absorpt_correction_T_min  0.411857
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Siemens, 1996)'
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_description       needle
_exptl_crystal_F_000             2772
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.109
_refine_diff_density_min         -1.263
_refine_diff_density_rms         0.160
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.20(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         5829
_refine_ls_number_restraints     493
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0888
_refine_ls_R_factor_gt           0.0752
_refine_ls_shift/su_max          0.048
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0509P)²+64.3170P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1853
_refine_ls_wR_factor_ref         0.1907
_reflns_number_gt                4832
_reflns_number_total             5829
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja8012903-file003_2.cif
_cod_data_source_block           '[Pd3(BCOPE)3H2](OTF)2'
_cod_original_cell_volume        5087.4(11)
_cod_database_code               4108167
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, 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 0.74668(3) 0.36655(4) 0.48903(13) 0.0264(2) Uani 1 1 d U . .
P1 P 0.83380(13) 0.37234(14) 0.5927(3) 0.0268(6) Uani 1 1 d DU . .
P2 P 0.82302(14) 0.46031(14) 0.3793(3) 0.0288(7) Uani 1 1 d DU . .
C1 C 0.9078(5) 0.4307(6) 0.5064(16) 0.047(3) Uani 1 1 d DU . .
H1A H 0.9466 0.4470 0.5623 0.057 Uiso 1 1 calc R . .
H1B H 0.9146 0.4076 0.4353 0.057 Uiso 1 1 calc R . .
C2 C 0.9032(5) 0.4885(6) 0.4572(15) 0.055(4) Uani 1 1 d DU . .
H2A H 0.9393 0.5135 0.3968 0.066 Uiso 1 1 calc R . .
H2B H 0.9082 0.5183 0.5273 0.066 Uiso 1 1 calc R . .
C111 C 0.8406(5) 0.3989(5) 0.7559(10) 0.037(2) Uani 1 1 d DU . .
H111 H 0.8382 0.4403 0.7563 0.044 Uiso 1 1 calc R . .
C112 C 0.7782(6) 0.3454(5) 0.8225(12) 0.040(3) Uani 1 1 d DU . .
H11A H 0.7392 0.3427 0.7808 0.048 Uiso 1 1 calc R . .
H11B H 0.7786 0.3596 0.9100 0.048 Uiso 1 1 calc R . .
C113 C 0.7701(7) 0.2756(6) 0.8244(12) 0.043(3) Uani 1 1 d DU . .
H11C H 0.8013 0.2754 0.8866 0.051 Uiso 1 1 calc R . .
H11D H 0.7251 0.2441 0.8539 0.051 Uiso 1 1 calc R . .
C114 C 0.7814(6) 0.2503(5) 0.6985(12) 0.032(3) Uani 1 1 d DU . .
H11E H 0.7420 0.2363 0.6453 0.039 Uiso 1 1 calc R . .
H11F H 0.7852 0.2108 0.7151 0.039 Uiso 1 1 calc R . .
C115 C 0.8429(4) 0.3005(5) 0.6241(11) 0.028(2) Uani 1 1 d DU . .
H115 H 0.8422 0.2800 0.5416 0.034 Uiso 1 1 calc R . .
C116 C 0.9111(5) 0.3228(5) 0.6857(11) 0.033(2) Uani 1 1 d DU . .
H11G H 0.9161 0.2837 0.6967 0.040 Uiso 1 1 calc R . .
H11H H 0.9460 0.3531 0.6275 0.040 Uiso 1 1 calc R . .
C117 C 0.9220(7) 0.3577(6) 0.8146(12) 0.042(3) Uani 1 1 d DU . .
H11I H 0.8934 0.3247 0.8774 0.050 Uiso 1 1 calc R . .
H11J H 0.9682 0.3748 0.8405 0.050 Uiso 1 1 calc R . .
C118 C 0.9076(6) 0.4154(6) 0.8161(13) 0.037(3) Uani 1 1 d DU . .
H11K H 0.9434 0.4533 0.7711 0.045 Uiso 1 1 calc R . .
H11L H 0.9081 0.4291 0.9040 0.045 Uiso 1 1 calc R . .
C211 C 0.8166(5) 0.5346(5) 0.3582(13) 0.037(2) Uani 1 1 d DU . .
H211 H 0.8115 0.5485 0.4440 0.044 Uiso 1 1 calc R . .
C212 C 0.8798(6) 0.5919(6) 0.3050(14) 0.042(3) Uani 1 1 d DU . .
H21A H 0.9165 0.6018 0.3630 0.050 Uiso 1 1 calc R . .
H21B H 0.8748 0.6314 0.3014 0.050 Uiso 1 1 calc R . .
C213 C 0.8984(6) 0.5789(6) 0.1715(16) 0.047(3) Uani 1 1 d U . .
H21C H 0.9434 0.6147 0.1514 0.057 Uiso 1 1 calc R . .
H21D H 0.8681 0.5813 0.1101 0.057 Uiso 1 1 calc R . .
C214 C 0.8959(6) 0.5098(6) 0.1536(14) 0.048(3) Uani 1 1 d DU . .
H21E H 0.8973 0.5017 0.0630 0.058 Uiso 1 1 calc R . .
H21F H 0.9356 0.5127 0.1926 0.058 Uiso 1 1 calc R . .
C215 C 0.8334(5) 0.4500(6) 0.2118(10) 0.041(3) Uani 1 1 d DU . .
H215 H 0.8392 0.4107 0.2038 0.049 Uiso 1 1 calc R . .
C216 C 0.7674(6) 0.4320(6) 0.1492(13) 0.044(3) Uani 1 1 d DU . .
H21G H 0.7322 0.3913 0.1886 0.052 Uiso 1 1 calc R . .
H21H H 0.7696 0.4222 0.0598 0.052 Uiso 1 1 calc R . .
C217 C 0.7478(6) 0.4866(7) 0.1579(13) 0.041(3) Uani 1 1 d U . .
H21I H 0.7767 0.5231 0.1011 0.049 Uiso 1 1 calc R . .
H21J H 0.7021 0.4680 0.1273 0.049 Uiso 1 1 calc R . .
C218 C 0.7523(6) 0.5150(6) 0.2896(15) 0.043(3) Uani 1 1 d DU . .
H21K H 0.7470 0.5542 0.2827 0.051 Uiso 1 1 calc R . .
H21L H 0.7153 0.4818 0.3406 0.051 Uiso 1 1 calc R . .
Pd2 Pd 0.93437(10) 0.00615(13) 0.2660(2) 0.0470(6) Uani 0.50 1 d PU A -1
P3 P 0.8351(3) -0.0456(3) 0.1604(8) 0.0380(16) Uani 0.50 1 d PDU A -1
P4 P 0.8933(3) 0.0615(4) 0.3769(8) 0.0362(16) Uani 0.50 1 d PDU A -1
C21 C 0.7782(10) -0.0283(13) 0.253(3) 0.059(7) Uani 0.50 1 d PDU A -1
H21M H 0.7417 -0.0336 0.1981 0.070 Uiso 0.50 1 calc PR A -1
H21N H 0.7589 -0.0606 0.3217 0.070 Uiso 0.50 1 calc PR A -1
C22 C 0.8126(10) 0.0401(13) 0.306(3) 0.057(7) Uani 0.50 1 d PDU A -1
H22A H 0.7842 0.0435 0.3712 0.068 Uiso 0.50 1 calc PR A -1
H22B H 0.8195 0.0720 0.2394 0.068 Uiso 0.50 1 calc PR A -1
C311 C 0.8402(11) -0.0192(12) -0.0034(18) 0.050(5) Uani 0.50 1 d PDU A -1
H311 H 0.8666 0.0299 -0.0058 0.060 Uiso 0.50 1 calc PR A -1
C312 C 0.8785(13) -0.0459(15) -0.071(3) 0.053(6) Uani 0.50 1 d PDU A -1
H31A H 0.8821 -0.0335 -0.1604 0.064 Uiso 0.50 1 calc PR A -1
H31B H 0.9236 -0.0249 -0.0360 0.064 Uiso 0.50 1 calc PR A -1
C313 C 0.848(2) -0.1188(19) -0.062(4) 0.066(8) Uani 0.50 1 d PU A -1
H31C H 0.8801 -0.1297 -0.0996 0.080 Uiso 0.50 1 calc PR A -1
H31D H 0.8093 -0.1380 -0.1173 0.080 Uiso 0.50 1 calc PR A -1
C314 C 0.8262(17) -0.1565(16) 0.060(3) 0.054(7) Uani 0.50 1 d PU A -1
H31E H 0.8651 -0.1470 0.1117 0.065 Uiso 0.50 1 calc PR A -1
H31F H 0.8012 -0.2044 0.0432 0.065 Uiso 0.50 1 calc PR A -1
C315 C 0.7790(13) -0.1344(8) 0.137(3) 0.047(6) Uani 0.50 1 d PDU A -1
H315 H 0.7681 -0.1565 0.2211 0.057 Uiso 0.50 1 calc PR A -1
C316 C 0.7158(15) -0.1550(15) 0.068(4) 0.046(7) Uani 0.50 1 d PDU A -1
H31G H 0.6813 -0.1625 0.1298 0.055 Uiso 0.50 1 calc PR A -1
H31H H 0.7022 -0.1977 0.0264 0.055 Uiso 0.50 1 calc PR A -1
C317 C 0.7173(14) -0.1050(15) -0.036(3) 0.036(7) Uani 0.50 1 d PU A -1
H31I H 0.7027 -0.1305 -0.1146 0.043 Uiso 0.50 1 calc PR A -1
H31J H 0.6822 -0.0954 -0.0119 0.043 Uiso 0.50 1 calc PR A -1
C318 C 0.7749(13) -0.0409(13) -0.069(3) 0.055(7) Uani 0.50 1 d PDU A -1
H31K H 0.7629 -0.0066 -0.0543 0.066 Uiso 0.50 1 calc PR A -1
H31L H 0.7824 -0.0415 -0.1602 0.066 Uiso 0.50 1 calc PR A -1
C411 C 0.8772(12) 0.0378(13) 0.5440(16) 0.045(5) Uani 0.50 1 d PDU A -1
H411 H 0.8528 -0.0112 0.5541 0.054 Uiso 0.50 1 calc PR A -1
C412 C 0.9471(12) 0.0689(13) 0.601(2) 0.050(6) Uani 0.50 1 d PDU A -1
H41A H 0.9423 0.0576 0.6907 0.060 Uiso 0.50 1 calc PR A -1
H41B H 0.9696 0.0472 0.5612 0.060 Uiso 0.50 1 calc PR A -1
C413 C 0.9918(13) 0.1417(12) 0.589(3) 0.049(6) Uani 0.50 1 d PDU A -1
H41C H 0.9745 0.1627 0.6467 0.059 Uiso 0.50 1 calc PR A -1
H41D H 1.0352 0.1517 0.6229 0.059 Uiso 0.50 1 calc PR A -1
C414 C 1.0040(12) 0.1759(15) 0.467(2) 0.047(6) Uani 0.50 1 d PDU A -1
H41E H 1.0343 0.1674 0.4164 0.056 Uiso 0.50 1 calc PR A -1
H41F H 1.0250 0.2240 0.4807 0.056 Uiso 0.50 1 calc PR A -1
C415 C 0.9398(11) 0.1517(8) 0.397(3) 0.047(5) Uani 0.50 1 d PDU A -1
H415 H 0.9515 0.1712 0.3112 0.056 Uiso 0.50 1 calc PR A -1
C416 C 0.8823(18) 0.1591(17) 0.441(3) 0.048(7) Uani 0.50 1 d PDU A -1
H41G H 0.8429 0.1295 0.3909 0.058 Uiso 0.50 1 calc PR A -1
H41H H 0.8925 0.2049 0.4255 0.058 Uiso 0.50 1 calc PR A -1
C417 C 0.8665(13) 0.1428(12) 0.582(3) 0.040(7) Uani 0.50 1 d PDU A -1
H41I H 0.9069 0.1694 0.6318 0.048 Uiso 0.50 1 calc PR A -1
H41J H 0.8333 0.1547 0.6082 0.048 Uiso 0.50 1 calc PR A -1
C418 C 0.8399(14) 0.0690(11) 0.607(3) 0.049(6) Uani 0.50 1 d PDU A -1
H41K H 0.7934 0.0444 0.5799 0.059 Uiso 0.50 1 calc PR A -1
H41L H 0.8405 0.0629 0.6989 0.059 Uiso 0.50 1 calc PR A -1
S1 S 0.6449(2) 0.6209(2) 0.1808(5) 0.0630(11) Uani 1 1 d DU . .
F1 F 0.6209(9) 0.6376(7) 0.4116(11) 0.169(7) Uani 1 1 d DU . .
F2 F 0.5709(5) 0.6618(6) 0.2813(16) 0.144(6) Uani 1 1 d DU . .
F3 F 0.6693(5) 0.7254(4) 0.3143(11) 0.093(3) Uani 1 1 d DU . .
O1 O 0.7042(7) 0.6282(8) 0.2208(17) 0.154(8) Uani 1 1 d DU . .
O2 O 0.6507(7) 0.6606(7) 0.0765(12) 0.107(5) Uani 1 1 d DU . .
O3 O 0.5900(7) 0.5579(5) 0.1740(14) 0.101(5) Uani 1 1 d DU . .
C19 C 0.6265(6) 0.6622(6) 0.2988(14) 0.063(3) Uani 1 1 d DU . .
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'
O O 0.0106 0.0060 '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'
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
P1 Pd1 P2 86.85(11) . .
P1 Pd1 Pd1 149.54(9) . 2_655
P2 Pd1 Pd1 102.39(8) . 2_655
P1 Pd1 Pd1 123.31(8) . 3_665
P2 Pd1 Pd1 146.46(8) . 3_665
Pd1 Pd1 Pd1 60.0 2_655 3_665
C1 P1 C115 106.0(5) . .
C1 P1 C111 109.6(7) . .
C115 P1 C111 96.2(5) . .
C1 P1 Pd1 106.7(4) . .
C115 P1 Pd1 123.4(3) . .
C111 P1 Pd1 114.1(3) . .
C211 P2 C215 94.8(6) . .
C211 P2 C2 105.4(6) . .
C215 P2 C2 107.9(6) . .
C211 P2 Pd1 124.5(4) . .
C215 P2 Pd1 116.9(4) . .
C2 P2 Pd1 105.9(4) . .
C2 C1 P1 112.2(8) . .
C1 C2 P2 110.6(8) . .
C112 C111 C118 116.2(10) . .
C112 C111 P1 106.0(7) . .
C118 C111 P1 112.6(8) . .
C111 C112 C113 115.4(10) . .
C114 C113 C112 116.1(11) . .
C113 C114 C115 115.3(10) . .
C114 C115 C116 116.6(10) . .
C114 C115 P1 107.5(7) . .
C116 C115 P1 109.9(7) . .
C117 C116 C115 114.9(10) . .
C118 C117 C116 114.8(10) . .
C117 C118 C111 114.3(9) . .
C212 C211 C218 117.7(11) . .
C212 C211 P2 112.2(8) . .
C218 C211 P2 108.0(8) . .
C211 C212 C213 114.1(11) . .
C212 C213 C214 115.7(11) . .
C215 C214 C213 113.7(10) . .
C216 C215 C214 115.9(11) . .
C216 C215 P2 106.1(8) . .
C214 C215 P2 113.3(9) . .
C215 C216 C217 114.6(10) . .
C218 C217 C216 115.1(11) . .
C211 C218 C217 114.4(11) . .
P4 Pd2 P3 87.2(3) . .
C315 P3 C311 98.2(15) . .
C315 P3 C21 97.6(13) . .
C311 P3 C21 111.3(14) . .
C315 P3 Pd2 128.5(11) . .
C311 P3 Pd2 114.1(8) . .
C21 P3 Pd2 105.7(8) . .
C415 P4 C411 98.5(13) . .
C415 P4 C22 107.2(12) . .
C411 P4 C22 106.4(14) . .
C415 P4 Pd2 122.3(10) . .
C411 P4 Pd2 114.1(8) . .
C22 P4 Pd2 107.3(8) . .
C22 C21 P3 112.0(16) . .
C21 C22 P4 112.0(16) . .
C312 C311 C318 110(2) . .
C312 C311 P3 105.5(16) . .
C318 C311 P3 116.2(18) . .
C313 C312 C311 114(2) . .
C312 C313 C314 124(3) . .
C313 C314 C315 109(3) . .
C316 C315 C314 111(3) . .
C316 C315 P3 117(2) . .
C314 C315 P3 102.0(18) . .
C315 C316 C317 117(3) . .
C318 C317 C316 126(3) . .
C317 C318 C311 119(2) . .
C412 C411 C418 109(2) . .
C412 C411 P4 103.1(16) . .
C418 C411 P4 111.0(19) . .
C413 C412 C411 119(2) . .
C414 C413 C412 121(3) . .
C413 C414 C415 110(2) . .
C416 C415 C414 125(3) . .
C416 C415 P4 96.7(17) . .
C414 C415 P4 113.2(17) . .
C415 C416 C417 113(3) . .
C418 C417 C416 111(3) . .
C417 C418 C411 117(2) . .
O1 S1 O3 119.0(8) . .
O1 S1 O2 113.7(9) . .
O3 S1 O2 113.1(8) . .
O1 S1 C19 102.6(8) . .
O3 S1 C19 105.6(7) . .
O2 S1 C19 99.9(8) . .
F1 C19 F2 104.3(13) . .
F1 C19 F3 103.4(12) . .
F2 C19 F3 102.8(11) . .
F1 C19 S1 114.2(10) . .
F2 C19 S1 114.0(10) . .
F3 C19 S1 116.6(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 P1 2.267(3) .
Pd1 P2 2.340(3) .
Pd1 Pd1 2.8280(12) 2_655
Pd1 Pd1 2.8280(12) 3_665
P1 C1 1.833(10) .
P1 C115 1.832(9) .
P1 C111 1.831(10) .
P2 C211 1.837(10) .
P2 C215 1.838(11) .
P2 C2 1.849(11) .
C1 C2 1.509(16) .
C111 C112 1.543(12) .
C111 C118 1.556(11) .
C112 C113 1.552(13) .
C113 C114 1.545(13) .
C114 C115 1.550(12) .
C115 C116 1.557(11) .
C116 C117 1.557(13) .
C117 C118 1.549(12) .
C211 C212 1.527(13) .
C211 C218 1.526(14) .
C212 C213 1.57(2) .
C213 C214 1.604(18) .
C214 C215 1.564(12) .
C215 C216 1.539(12) .
C216 C217 1.564(18) .
C217 C218 1.54(2) .
Pd2 P4 2.296(8) .
Pd2 P3 2.310(7) .
P3 C315 1.840(14) .
P3 C311 1.839(15) .
P3 C21 1.861(16) .
P4 C415 1.846(15) .
P4 C411 1.851(15) .
P4 C22 1.857(15) .
C21 C22 1.50(2) .
C311 C312 1.51(2) .
C311 C318 1.52(2) .
C312 C313 1.49(5) .
C313 C314 1.51(5) .
C314 C315 1.66(4) .
C315 C316 1.51(2) .
C316 C317 1.60(4) .
C317 C318 1.48(4) .
C411 C412 1.546(15) .
C411 C418 1.548(15) .
C412 C413 1.50(3) .
C413 C414 1.49(3) .
C414 C415 1.51(2) .
C415 C416 1.52(2) .
C416 C417 1.552(17) .
C417 C418 1.543(16) .
S1 O1 1.382(12) .
S1 O3 1.394(11) .
S1 O2 1.413(12) .
S1 C19 1.769(17) .
F1 C19 1.314(13) .
F2 C19 1.312(13) .
F3 C19 1.319(13) .
