#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:44:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179153 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/14/4311449.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_4311449
loop_
_publ_author_name
'Eddie Y. Y. Chan'
'Qian-Feng Zhang'
'Yiu-Keung Sau'
'Samuel M. F. Lo'
'Herman H. Y. Sung'
'Ian D. Williams'
'Richard K. Haynes'
'Wa-Hung Leung'
_publ_section_title
;
 Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary
 Phosphine Oxide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4921
_journal_page_last               4926
_journal_paper_doi               10.1021/ic049744u
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C40 H56 B2 F4 O4 P4 Pd2 S4 W'
_chemical_formula_weight         1347.24
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_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                 112.281(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.9250(17)
_cell_length_b                   10.5019(12)
_cell_length_c                   16.9680(19)
_cell_measurement_reflns_used    2165
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.73
_cell_measurement_theta_min      2.30
_cell_volume                     2461.0(5)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.619 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega 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  0.0580
_diffrn_reflns_av_sigmaI/netI    0.1064
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12257
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    3.408
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.818
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.406
_refine_diff_density_min         -1.014
_refine_diff_density_rms         0.156
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.005(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.843
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         6599
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.843
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0010P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0739
_reflns_number_gt                5281
_reflns_number_total             6599
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049744usi20040227_075416.cif
_cod_data_source_block           (WS4)[Pd(tBuPhO)BF2]2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4311449
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.77107(3) 0.55645(4) 0.74333(3) 0.01423(10) Uani 1 1 d . . .
Pd1 Pd 0.76321(6) 0.67776(6) 0.89611(5) 0.01312(19) Uani 1 1 d . . .
Pd2 Pd 0.76605(6) 0.44138(6) 0.58374(5) 0.01410(19) Uani 1 1 d . . .
P1 P 0.7973(2) 0.8807(2) 0.95078(16) 0.0140(6) Uani 1 1 d . . .
P2 P 0.6991(2) 0.6217(2) 0.99626(17) 0.0154(6) Uani 1 1 d . . .
P3 P 0.6636(2) 0.4445(3) 0.44245(16) 0.0162(6) Uani 1 1 d . . .
P4 P 0.8768(2) 0.3230(2) 0.55182(16) 0.0164(6) Uani 1 1 d . . .
S1 S 0.8018(2) 0.7561(2) 0.78081(17) 0.0219(7) Uani 1 1 d . . .
S2 S 0.7455(2) 0.4639(2) 0.84838(17) 0.0231(7) Uani 1 1 d . . .
S3 S 0.6447(2) 0.5373(3) 0.62399(16) 0.0238(7) Uani 1 1 d . . .
S4 S 0.8912(2) 0.4627(3) 0.72258(16) 0.0236(6) Uani 1 1 d . . .
O1 O 0.7567(5) 0.9158(6) 1.0204(4) 0.0204(17) Uani 1 1 d . . .
O2 O 0.7281(5) 0.7142(5) 1.0743(4) 0.0153(16) Uani 1 1 d . . .
O3 O 0.8384(5) 0.2430(6) 0.4685(4) 0.0179(16) Uani 1 1 d . . .
O4 O 0.6949(5) 0.3558(6) 0.3832(4) 0.0189(17) Uani 1 1 d . . .
C11 C 0.7402(8) 1.0072(10) 0.8732(6) 0.022(3) Uani 1 1 d . . .
C12 C 0.7772(7) 1.0568(11) 0.8161(5) 0.022(2) Uani 1 1 d . . .
H12A H 0.8368 1.0257 0.8157 0.026 Uiso 1 1 calc R . .
C13 C 0.7276(9) 1.1520(10) 0.7594(7) 0.027(3) Uani 1 1 d . . .
H13A H 0.7526 1.1841 0.7195 0.033 Uiso 1 1 calc R . .
C14 C 0.6440(8) 1.1988(9) 0.7606(7) 0.025(3) Uani 1 1 d . . .
H14A H 0.6100 1.2634 0.7215 0.030 Uiso 1 1 calc R . .
C15 C 0.6081(8) 1.1528(10) 0.8187(7) 0.024(3) Uani 1 1 d . . .
H15A H 0.5495 1.1865 0.8199 0.028 Uiso 1 1 calc R . .
C16 C 0.6559(7) 1.0591(12) 0.8748(6) 0.022(2) Uani 1 1 d . . .
H16A H 0.6310 1.0295 0.9153 0.026 Uiso 1 1 calc R . .
C21 C 0.9303(8) 0.9079(8) 1.0042(6) 0.017(2) Uani 1 1 d . . .
C22 C 0.9872(8) 0.9022(10) 0.9460(6) 0.024(3) Uani 1 1 d . . .
H22A H 1.0561 0.9163 0.9798 0.036 Uiso 1 1 calc R . .
H22B H 0.9635 0.9684 0.9022 0.036 Uiso 1 1 calc R . .
H22C H 0.9785 0.8184 0.9187 0.036 Uiso 1 1 calc R . .
C23 C 0.9442(7) 1.0393(10) 1.0477(6) 0.026(3) Uani 1 1 d . . .
H23A H 1.0135 1.0565 1.0772 0.039 Uiso 1 1 calc R . .
H23B H 0.9127 1.0398 1.0890 0.039 Uiso 1 1 calc R . .
H23C H 0.9151 1.1051 1.0046 0.039 Uiso 1 1 calc R . .
C24 C 0.9655(8) 0.8021(9) 1.0720(6) 0.021(3) Uani 1 1 d . . .
H24A H 1.0356 0.8100 1.1031 0.031 Uiso 1 1 calc R . .
H24B H 0.9508 0.7187 1.0442 0.031 Uiso 1 1 calc R . .
H24C H 0.9326 0.8104 1.1119 0.031 Uiso 1 1 calc R . .
C31 C 0.5660(8) 0.6261(10) 0.9446(7) 0.024(3) Uani 1 1 d . . .
C32 C 0.5362(8) 0.7582(9) 0.8999(6) 0.024(3) Uani 1 1 d . . .
H32A H 0.4656 0.7621 0.8711 0.036 Uiso 1 1 calc R . .
H32B H 0.5661 0.7691 0.8579 0.036 Uiso 1 1 calc R . .
H32C H 0.5583 0.8261 0.9425 0.036 Uiso 1 1 calc R . .
C33 C 0.5267(8) 0.5222(10) 0.8780(6) 0.029(3) Uani 1 1 d . . .
H33A H 0.4560 0.5288 0.8517 0.044 Uiso 1 1 calc R . .
H33B H 0.5447 0.4387 0.9052 0.044 Uiso 1 1 calc R . .
H33C H 0.5541 0.5322 0.8342 0.044 Uiso 1 1 calc R . .
C34 C 0.5226(8) 0.6137(10) 1.0124(6) 0.026(3) Uani 1 1 d . . .
H34A H 0.4518 0.6156 0.9851 0.038 Uiso 1 1 calc R . .
H34B H 0.5448 0.6845 1.0527 0.038 Uiso 1 1 calc R . .
H34C H 0.5432 0.5329 1.0428 0.038 Uiso 1 1 calc R . .
C41 C 0.7270(7) 0.4716(8) 1.0546(6) 0.013(2) Uani 1 1 d . . .
C42 C 0.7419(8) 0.4731(9) 1.1411(7) 0.022(3) Uani 1 1 d . . .
H42A H 0.7421 0.5527 1.1678 0.027 Uiso 1 1 calc R . .
C43 C 0.7563(9) 0.3648(10) 1.1886(6) 0.024(3) Uani 1 1 d . . .
H43A H 0.7654 0.3702 1.2470 0.029 Uiso 1 1 calc R . .
C44 C 0.7576(8) 0.2464(9) 1.1522(7) 0.024(3) Uani 1 1 d . . .
H44A H 0.7676 0.1709 1.1853 0.029 Uiso 1 1 calc R . .
C45 C 0.7442(8) 0.2407(10) 1.0673(7) 0.025(3) Uani 1 1 d . . .
H45A H 0.7470 0.1614 1.0412 0.031 Uiso 1 1 calc R . .
C46 C 0.7264(8) 0.3543(10) 1.0199(7) 0.025(3) Uani 1 1 d . . .
H46A H 0.7134 0.3490 0.9607 0.030 Uiso 1 1 calc R . .
C51 C 0.5339(8) 0.4076(9) 0.4149(6) 0.020(3) Uani 1 1 d . . .
C52 C 0.4749(8) 0.5230(10) 0.4221(7) 0.032(3) Uani 1 1 d . . .
H52A H 0.4072 0.4978 0.4071 0.048 Uiso 1 1 calc R . .
H52B H 0.4786 0.5899 0.3832 0.048 Uiso 1 1 calc R . .
H52C H 0.5011 0.5551 0.4807 0.048 Uiso 1 1 calc R . .
C53 C 0.5246(8) 0.2953(10) 0.4707(6) 0.027(3) Uani 1 1 d . . .
H53A H 0.4560 0.2756 0.4561 0.041 Uiso 1 1 calc R . .
H53B H 0.5542 0.3190 0.5309 0.041 Uiso 1 1 calc R . .
H53C H 0.5576 0.2203 0.4603 0.041 Uiso 1 1 calc R . .
C54 C 0.4919(8) 0.3619(10) 0.3201(6) 0.027(3) Uani 1 1 d . . .
H54A H 0.4231 0.3410 0.3034 0.040 Uiso 1 1 calc R . .
H54B H 0.5272 0.2863 0.3141 0.040 Uiso 1 1 calc R . .
H54C H 0.4989 0.4300 0.2833 0.040 Uiso 1 1 calc R . .
C61 C 0.6687(7) 0.6006(8) 0.3988(6) 0.018(2) Uani 1 1 d . . .
C62 C 0.6691(8) 0.6133(10) 0.3180(6) 0.025(3) Uani 1 1 d . . .
H62A H 0.6683 0.5391 0.2856 0.030 Uiso 1 1 calc R . .
C63 C 0.6706(8) 0.7326(10) 0.2830(7) 0.028(3) Uani 1 1 d . . .
H63A H 0.6706 0.7398 0.2272 0.034 Uiso 1 1 calc R . .
C64 C 0.6722(8) 0.8404(11) 0.3300(7) 0.030(3) Uani 1 1 d . . .
H64A H 0.6714 0.9219 0.3055 0.036 Uiso 1 1 calc R . .
C65 C 0.6750(9) 0.8315(11) 0.4117(7) 0.035(3) Uani 1 1 d . . .
H65A H 0.6783 0.9062 0.4443 0.042 Uiso 1 1 calc R . .
C66 C 0.6729(9) 0.7099(10) 0.4468(8) 0.027(3) Uani 1 1 d . . .
H66A H 0.6744 0.7027 0.5031 0.033 Uiso 1 1 calc R . .
C71 C 0.9229(7) 0.1960(9) 0.6300(6) 0.019(2) Uani 1 1 d . . .
C72 C 0.8703(8) 0.0809(10) 0.6107(7) 0.028(3) Uani 1 1 d . . .
H72A H 0.8128 0.0743 0.5610 0.034 Uiso 1 1 calc R . .
C73 C 0.9039(9) -0.0255(10) 0.6664(8) 0.031(3) Uani 1 1 d . . .
H73A H 0.8688 -0.1033 0.6551 0.037 Uiso 1 1 calc R . .
C74 C 0.9882(10) -0.0130(10) 0.7368(7) 0.033(3) Uani 1 1 d . . .
H74A H 1.0131 -0.0845 0.7727 0.040 Uiso 1 1 calc R . .
C75 C 1.0378(10) 0.1019(10) 0.7567(7) 0.035(3) Uani 1 1 d . . .
H75A H 1.0942 0.1099 0.8072 0.042 Uiso 1 1 calc R . .
C76 C 1.0042(8) 0.2055(10) 0.7018(7) 0.027(3) Uani 1 1 d . . .
H76A H 1.0386 0.2838 0.7149 0.032 Uiso 1 1 calc R . .
C81 C 0.9768(8) 0.4180(9) 0.5388(7) 0.021(2) Uani 1 1 d . . .
C82 C 1.0511(7) 0.3266(10) 0.5288(7) 0.027(3) Uani 1 1 d . . .
H82A H 1.1039 0.3753 0.5223 0.041 Uiso 1 1 calc R . .
H82B H 1.0201 0.2734 0.4783 0.041 Uiso 1 1 calc R . .
H82C H 1.0772 0.2723 0.5794 0.041 Uiso 1 1 calc R . .
C83 C 1.0259(9) 0.5127(10) 0.6105(7) 0.032(3) Uani 1 1 d . . .
H83A H 1.0775 0.5574 0.5994 0.049 Uiso 1 1 calc R . .
H83B H 1.0536 0.4669 0.6647 0.049 Uiso 1 1 calc R . .
H83C H 0.9781 0.5745 0.6134 0.049 Uiso 1 1 calc R . .
C84 C 0.9255(8) 0.4899(10) 0.4530(6) 0.022(3) Uani 1 1 d . . .
H84A H 0.9728 0.5426 0.4407 0.032 Uiso 1 1 calc R . .
H84B H 0.8742 0.5443 0.4574 0.032 Uiso 1 1 calc R . .
H84C H 0.8971 0.4280 0.4070 0.032 Uiso 1 1 calc R . .
F1 F 0.8129(5) 0.8715(5) 1.1659(3) 0.0270(16) Uani 1 1 d . . .
F2 F 0.6521(5) 0.9012(5) 1.0917(4) 0.0276(16) Uani 1 1 d . . .
F3 F 0.6859(5) 0.1492(5) 0.4337(4) 0.0286(15) Uani 1 1 d . . .
F4 F 0.7472(4) 0.1785(5) 0.3307(3) 0.0274(15) Uani 1 1 d . . .
B1 B 0.7376(10) 0.8507(11) 1.0894(8) 0.018(3) Uani 1 1 d . . .
B2 B 0.7405(11) 0.2261(12) 0.4028(8) 0.025(3) 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'
B B 0.0013 0.0007 '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'
W W -0.8490 6.8722 '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
S2 W1 S4 109.73(11) . . ?
S2 W1 S1 105.75(10) . . ?
S4 W1 S1 112.56(11) . . ?
S2 W1 S3 110.95(11) . . ?
S4 W1 S3 106.28(10) . . ?
S1 W1 S3 111.64(11) . . ?
S2 W1 Pd1 52.74(7) . . ?
S4 W1 Pd1 130.40(7) . . ?
S1 W1 Pd1 53.19(7) . . ?
S3 W1 Pd1 123.26(7) . . ?
S2 W1 Pd2 128.05(7) . . ?
S4 W1 Pd2 53.34(7) . . ?
S1 W1 Pd2 126.20(7) . . ?
S3 W1 Pd2 53.03(7) . . ?
Pd1 W1 Pd2 176.21(3) . . ?
P1 Pd1 P2 91.66(9) . . ?
P1 Pd1 S2 173.95(11) . . ?
P2 Pd1 S2 89.23(9) . . ?
P1 Pd1 S1 85.77(9) . . ?
P2 Pd1 S1 169.46(11) . . ?
S2 Pd1 S1 94.40(9) . . ?
P1 Pd1 W1 132.99(7) . . ?
P2 Pd1 W1 134.72(7) . . ?
S2 Pd1 W1 47.30(6) . . ?
S1 Pd1 W1 47.25(6) . . ?
P4 Pd2 P3 90.87(10) . . ?
P4 Pd2 S3 171.93(10) . . ?
P3 Pd2 S3 90.89(10) . . ?
P4 Pd2 S4 85.41(10) . . ?
P3 Pd2 S4 169.54(10) . . ?
S3 Pd2 S4 94.15(9) . . ?
P4 Pd2 W1 132.22(7) . . ?
P3 Pd2 W1 136.70(8) . . ?
S3 Pd2 W1 47.18(6) . . ?
S4 Pd2 W1 47.05(6) . . ?
O1 P1 C11 99.5(4) . . ?
O1 P1 C21 104.0(4) . . ?
C11 P1 C21 110.9(5) . . ?
O1 P1 Pd1 115.7(3) . . ?
C11 P1 Pd1 114.2(3) . . ?
C21 P1 Pd1 111.7(3) . . ?
O2 P2 C41 98.3(4) . . ?
O2 P2 C31 106.8(4) . . ?
C41 P2 C31 105.2(5) . . ?
O2 P2 Pd1 113.8(3) . . ?
C41 P2 Pd1 123.0(3) . . ?
C31 P2 Pd1 108.4(3) . . ?
O4 P3 C61 101.9(4) . . ?
O4 P3 C51 104.6(4) . . ?
C61 P3 C51 106.7(4) . . ?
O4 P3 Pd2 114.7(3) . . ?
C61 P3 Pd2 108.9(3) . . ?
C51 P3 Pd2 118.5(3) . . ?
O3 P4 C71 100.0(4) . . ?
O3 P4 C81 102.4(4) . . ?
C71 P4 C81 112.2(5) . . ?
O3 P4 Pd2 117.3(3) . . ?
C71 P4 Pd2 109.4(3) . . ?
C81 P4 Pd2 114.6(3) . . ?
W1 S1 Pd1 79.55(8) . . ?
W1 S2 Pd1 79.97(8) . . ?
W1 S3 Pd2 79.79(9) . . ?
W1 S4 Pd2 79.61(9) . . ?
B1 O1 P1 137.6(6) . . ?
B1 O2 P2 137.6(6) . . ?
B2 O3 P4 132.1(7) . . ?
B2 O4 P3 128.1(7) . . ?
C16 C11 C12 118.2(10) . . ?
C16 C11 P1 116.7(8) . . ?
C12 C11 P1 125.0(8) . . ?
C11 C12 C13 120.4(10) . . ?
C14 C13 C12 120.3(10) . . ?
C13 C14 C15 119.8(10) . . ?
C16 C15 C14 120.6(11) . . ?
C15 C16 C11 120.6(10) . . ?
C22 C21 C24 109.8(8) . . ?
C22 C21 C23 109.7(8) . . ?
C24 C21 C23 110.0(8) . . ?
C22 C21 P1 115.4(7) . . ?
C24 C21 P1 104.5(7) . . ?
C23 C21 P1 107.1(7) . . ?
C33 C31 C34 110.2(9) . . ?
C33 C31 C32 108.5(9) . . ?
C34 C31 C32 108.6(8) . . ?
C33 C31 P2 112.2(8) . . ?
C34 C31 P2 109.2(8) . . ?
C32 C31 P2 108.0(7) . . ?
C46 C41 C42 115.8(9) . . ?
C46 C41 P2 125.7(7) . . ?
C42 C41 P2 118.2(7) . . ?
C43 C42 C41 122.6(9) . . ?
C42 C43 C44 120.6(9) . . ?
C45 C44 C43 118.8(10) . . ?
C44 C45 C46 118.8(10) . . ?
C41 C46 C45 123.4(10) . . ?
C52 C51 C53 111.4(9) . . ?
C52 C51 C54 107.8(9) . . ?
C53 C51 C54 107.5(8) . . ?
C52 C51 P3 113.1(7) . . ?
C53 C51 P3 109.4(7) . . ?
C54 C51 P3 107.3(7) . . ?
C62 C61 C66 119.0(9) . . ?
C62 C61 P3 120.6(7) . . ?
C66 C61 P3 120.4(8) . . ?
C61 C62 C63 121.2(9) . . ?
C64 C63 C62 119.5(10) . . ?
C65 C64 C63 120.9(11) . . ?
C64 C65 C66 119.3(11) . . ?
C61 C66 C65 120.0(10) . . ?
C76 C71 C72 120.0(10) . . ?
C76 C71 P4 124.2(8) . . ?
C72 C71 P4 115.8(8) . . ?
C71 C72 C73 119.5(11) . . ?
C74 C73 C72 118.5(11) . . ?
C73 C74 C75 121.6(10) . . ?
C74 C75 C76 119.4(12) . . ?
C71 C76 C75 121.0(11) . . ?
C82 C81 C83 110.4(10) . . ?
C82 C81 C84 108.8(8) . . ?
C83 C81 C84 110.3(9) . . ?
C82 C81 P4 108.8(7) . . ?
C83 C81 P4 114.5(7) . . ?
C84 C81 P4 103.7(7) . . ?
F1 B1 F2 110.0(9) . . ?
F1 B1 O2 108.2(9) . . ?
F2 B1 O2 110.5(10) . . ?
F1 B1 O1 110.0(10) . . ?
F2 B1 O1 107.5(9) . . ?
O2 B1 O1 110.7(8) . . ?
F4 B2 F3 112.4(10) . . ?
F4 B2 O3 109.6(10) . . ?
F3 B2 O3 109.9(9) . . ?
F4 B2 O4 108.4(9) . . ?
F3 B2 O4 109.3(10) . . ?
O3 B2 O4 107.1(9) . . ?
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
W1 S2 2.187(3) . ?
W1 S4 2.188(3) . ?
W1 S1 2.188(3) . ?
W1 S3 2.191(3) . ?
W1 Pd1 2.9305(9) . ?
W1 Pd2 2.9403(9) . ?
Pd1 P1 2.303(3) . ?
Pd1 P2 2.320(3) . ?
Pd1 S2 2.369(3) . ?
Pd1 S1 2.386(3) . ?
Pd2 P4 2.291(3) . ?
Pd2 P3 2.304(3) . ?
Pd2 S3 2.387(3) . ?
Pd2 S4 2.398(3) . ?
P1 O1 1.562(7) . ?
P1 C11 1.837(11) . ?
P1 C21 1.866(11) . ?
P2 O2 1.565(6) . ?
P2 C41 1.824(9) . ?
P2 C31 1.843(12) . ?
P3 O4 1.567(7) . ?
P3 C61 1.812(9) . ?
P3 C51 1.852(12) . ?
P4 O3 1.555(7) . ?
P4 C71 1.822(10) . ?
P4 C81 1.877(10) . ?
O1 B1 1.473(13) . ?
O2 B1 1.454(13) . ?
O3 B2 1.475(15) . ?
O4 B2 1.502(13) . ?
C11 C16 1.382(14) . ?
C11 C12 1.385(13) . ?
C12 C13 1.391(14) . ?
C13 C14 1.349(15) . ?
C14 C15 1.376(14) . ?
C15 C16 1.367(15) . ?
C21 C22 1.528(13) . ?
C21 C24 1.541(13) . ?
C21 C23 1.541(13) . ?
C31 C33 1.520(13) . ?
C31 C34 1.524(13) . ?
C31 C32 1.562(13) . ?
C41 C46 1.365(13) . ?
C41 C42 1.398(13) . ?
C42 C43 1.363(13) . ?
C43 C44 1.392(14) . ?
C44 C45 1.379(14) . ?
C45 C46 1.406(14) . ?
C51 C52 1.530(14) . ?
C51 C53 1.551(13) . ?
C51 C54 1.564(13) . ?
C61 C62 1.381(13) . ?
C61 C66 1.395(13) . ?
C62 C63 1.390(13) . ?
C63 C64 1.379(14) . ?
C64 C65 1.375(15) . ?
C65 C66 1.414(14) . ?
C71 C76 1.359(14) . ?
C71 C72 1.411(15) . ?
C72 C73 1.427(15) . ?
C73 C74 1.373(16) . ?
C74 C75 1.389(16) . ?
C75 C76 1.396(14) . ?
C81 C82 1.525(14) . ?
C81 C83 1.526(14) . ?
C81 C84 1.558(14) . ?
F1 B1 1.375(14) . ?
F2 B1 1.395(14) . ?
F3 B2 1.385(14) . ?
F4 B2 1.358(13) . ?
