#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:32:49 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180144 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/41/7104121.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_7104121
loop_
_publ_author_name
'Blug, Matthias'
'Guibert, Clément'
'Le Goff, Xavier-Frederic'
'Mézailles, Nicolas'
'Le Floch, Pascal'
_publ_section_title
;
 1-phosphabarrelene complexes of palladium and their use in
 Suzuki-Miyaura coupling reactions.
;
_journal_issue                   2
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              201
_journal_page_last               203
_journal_paper_doi               10.1039/b814886d
_journal_volume                  34
_journal_year                    2008
_chemical_formula_moiety         'C38 H58 P2 Pd Si4'
_chemical_formula_sum            'C38 H58 P2 Pd Si4'
_chemical_formula_weight         795.54
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.310(1)
_cell_length_b                   18.846(1)
_cell_length_c                   43.610(1)
_cell_measurement_reflns_used    149884
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     8473.5(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0(1)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0872
_diffrn_reflns_av_sigmaI/netI    0.0712
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_number            44281
_diffrn_reflns_theta_full        28.70
_diffrn_reflns_theta_max         28.70
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    0.651
_exptl_absorpt_correction_T_max  0.9744
_exptl_absorpt_correction_T_min  0.7367
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Denzo/Scalepack (Otwinowski & Minor, 1996)'
_exptl_crystal_colour            'Pale Yellow'
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             3344
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.710
_refine_diff_density_min         -1.876
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         10810
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0918
_refine_ls_R_factor_gt           0.0647
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1630P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1956
_refine_ls_wR_factor_ref         0.2271
_reflns_number_gt                7801
_reflns_number_total             10810
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b814886d.txt
_cod_data_source_block           mb462
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_original_sg_symbol_H-M      'Pbca '
_cod_database_code               7104121
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, 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 0.97886(3) -0.046189(15) -0.121103(7) 0.02931(13) Uani 1 1 d . . .
P1 P 1.07464(9) 0.00605(5) -0.16230(2) 0.0282(2) Uani 1 1 d . . .
P2 P 0.83210(9) -0.07048(5) -0.08382(2) 0.0279(2) Uani 1 1 d . . .
Si1 Si 1.14345(11) -0.14216(6) -0.19591(3) 0.0378(3) Uani 1 1 d . . .
Si2 Si 1.30037(12) 0.07198(6) -0.12166(3) 0.0369(3) Uani 1 1 d . . .
Si3 Si 1.03750(10) -0.13246(6) -0.03599(3) 0.0331(3) Uani 1 1 d . . .
Si4 Si 0.67972(11) -0.17091(6) -0.13063(3) 0.0337(3) Uani 1 1 d . . .
C1 C 1.1294(4) -0.04281(19) -0.19705(10) 0.0343(9) Uani 1 1 d . . .
C2 C 1.1606(4) 0.0005(2) -0.22063(10) 0.0408(10) Uani 1 1 d . . .
C3 C 1.1598(4) 0.0810(2) -0.21442(10) 0.0405(10) Uani 1 1 d . . .
H3 H 1.1911 0.1073 -0.2329 0.049 Uiso 1 1 calc R . .
C4 C 1.2482(4) 0.0960(2) -0.18698(10) 0.0371(9) Uani 1 1 d . . .
C5 C 1.2192(4) 0.0654(2) -0.15953(10) 0.0341(8) Uani 1 1 d . . .
C6 C 0.9673(4) 0.0690(2) -0.18183(9) 0.0324(8) Uani 1 1 d . . .
C7 C 0.8414(4) 0.0845(2) -0.17336(11) 0.0386(9) Uani 1 1 d . . .
H7 H 0.8031 0.0616 -0.1562 0.046 Uiso 1 1 calc R . .
C8 C 0.7706(5) 0.1345(2) -0.19037(11) 0.0476(11) Uani 1 1 d . . .
H8 H 0.6824 0.1434 -0.1853 0.057 Uiso 1 1 calc R . .
C9 C 0.8264(5) 0.1701(2) -0.21386(12) 0.0528(13) Uani 1 1 d . . .
H9 H 0.7791 0.2063 -0.2241 0.063 Uiso 1 1 calc R . .
C10 C 0.9521(5) 0.1543(2) -0.22318(11) 0.0466(11) Uani 1 1 d . . .
H10 H 0.9898 0.1778 -0.2403 0.056 Uiso 1 1 calc R . .
C11 C 1.0225(4) 0.1029(2) -0.20671(10) 0.0378(9) Uani 1 1 d . . .
C12 C 1.1976(7) -0.0204(3) -0.25310(11) 0.0638(15) Uani 1 1 d . . .
H12A H 1.2880 -0.0069 -0.2570 0.096 Uiso 1 1 calc R . .
H12B H 1.1408 0.0040 -0.2677 0.096 Uiso 1 1 calc R . .
H12C H 1.1880 -0.0718 -0.2556 0.096 Uiso 1 1 calc R . .
C13 C 1.3616(5) 0.1430(2) -0.19407(11) 0.0481(11) Uani 1 1 d . . .
H13A H 1.4053 0.1562 -0.1750 0.072 Uiso 1 1 calc R . .
H13B H 1.3312 0.1859 -0.2045 0.072 Uiso 1 1 calc R . .
H13C H 1.4225 0.1175 -0.2074 0.072 Uiso 1 1 calc R . .
C14 C 1.2858(6) -0.1738(3) -0.21904(13) 0.0641(15) Uani 1 1 d . . .
H14A H 1.3591 -0.1415 -0.2160 0.096 Uiso 1 1 calc R . .
H14B H 1.2623 -0.1748 -0.2408 0.096 Uiso 1 1 calc R . .
H14C H 1.3103 -0.2216 -0.2124 0.096 Uiso 1 1 calc R . .
C15 C 1.1806(4) -0.1701(2) -0.15622(11) 0.0465(11) Uani 1 1 d . . .
H15A H 1.1107 -0.1547 -0.1425 0.070 Uiso 1 1 calc R . .
H15B H 1.2625 -0.1484 -0.1497 0.070 Uiso 1 1 calc R . .
H15C H 1.1884 -0.2218 -0.1554 0.070 Uiso 1 1 calc R . .
C16 C 0.9895(5) -0.1810(3) -0.21009(13) 0.0506(12) Uani 1 1 d . . .
H16A H 0.9818 -0.2300 -0.2028 0.076 Uiso 1 1 calc R . .
H16B H 0.9892 -0.1805 -0.2326 0.076 Uiso 1 1 calc R . .
H16C H 0.9163 -0.1530 -0.2024 0.076 Uiso 1 1 calc R . .
C17 C 1.1917(6) 0.1221(3) -0.09509(11) 0.0680(17) Uani 1 1 d . . .
H17A H 1.1780 0.1702 -0.1031 0.102 Uiso 1 1 calc R . .
H17B H 1.2320 0.1248 -0.0748 0.102 Uiso 1 1 calc R . .
H17C H 1.1081 0.0976 -0.0935 0.102 Uiso 1 1 calc R . .
C18 C 1.4629(7) 0.1153(5) -0.12285(16) 0.102(3) Uani 1 1 d . . .
H18A H 1.5190 0.0898 -0.1373 0.153 Uiso 1 1 calc R . .
H18B H 1.5018 0.1141 -0.1024 0.153 Uiso 1 1 calc R . .
H18C H 1.4534 0.1646 -0.1295 0.153 Uiso 1 1 calc R . .
C19 C 1.3292(5) -0.0190(2) -0.10647(11) 0.0475(11) Uani 1 1 d . . .
H19A H 1.2465 -0.0444 -0.1050 0.071 Uiso 1 1 calc R . .
H19B H 1.3689 -0.0159 -0.0861 0.071 Uiso 1 1 calc R . .
H19C H 1.3875 -0.0447 -0.1203 0.071 Uiso 1 1 calc R . .
C20 C 0.8651(4) -0.10816(19) -0.04486(9) 0.0303(7) Uani 1 1 d . . .
C21 C 0.7591(4) -0.10937(19) -0.02704(9) 0.0333(8) Uani 1 1 d . . .
C22 C 0.6306(4) -0.0816(2) -0.04027(9) 0.0347(8) Uani 1 1 d . . .
H22 H 0.5590 -0.0864 -0.0249 0.042 Uiso 1 1 calc R . .
C23 C 0.5993(4) -0.1245(2) -0.06980(9) 0.0337(8) Uani 1 1 d . . .
C24 C 0.6845(3) -0.12403(19) -0.09252(9) 0.0297(8) Uani 1 1 d . . .
C25 C 0.7498(4) 0.00918(19) -0.06972(8) 0.0298(7) Uani 1 1 d . . .
C26 C 0.7817(4) 0.0786(2) -0.07706(10) 0.0371(9) Uani 1 1 d . . .
H26 H 0.8497 0.0879 -0.0912 0.044 Uiso 1 1 calc R . .
C27 C 0.7143(5) 0.1346(2) -0.06380(10) 0.0417(10) Uani 1 1 d . . .
H27 H 0.7363 0.1821 -0.0688 0.050 Uiso 1 1 calc R . .
C28 C 0.6153(5) 0.1208(2) -0.04332(11) 0.0471(11) Uani 1 1 d . . .
H28 H 0.5695 0.1592 -0.0343 0.056 Uiso 1 1 calc R . .
C29 C 0.5815(5) 0.0514(2) -0.03576(10) 0.0415(10) Uani 1 1 d . . .
H29 H 0.5122 0.0423 -0.0220 0.050 Uiso 1 1 calc R . .
C30 C 0.6511(4) -0.0045(2) -0.04877(9) 0.0338(8) Uani 1 1 d . . .
C31 C 0.7495(5) -0.1326(2) 0.00597(9) 0.0420(10) Uani 1 1 d . . .
H31A H 0.8340 -0.1502 0.0129 0.063 Uiso 1 1 calc R . .
H31B H 0.6849 -0.1705 0.0078 0.063 Uiso 1 1 calc R . .
H31C H 0.7233 -0.0922 0.0187 0.063 Uiso 1 1 calc R . .
C32 C 0.4730(4) -0.1652(2) -0.06750(12) 0.0432(10) Uani 1 1 d . . .
H32A H 0.4437 -0.1785 -0.0881 0.065 Uiso 1 1 calc R . .
H32B H 0.4072 -0.1352 -0.0577 0.065 Uiso 1 1 calc R . .
H32C H 0.4863 -0.2081 -0.0552 0.065 Uiso 1 1 calc R . .
C33 C 1.1329(5) -0.0482(2) -0.03352(14) 0.0535(13) Uani 1 1 d . . .
H33A H 1.1087 -0.0225 -0.0148 0.080 Uiso 1 1 calc R . .
H33B H 1.1142 -0.0186 -0.0515 0.080 Uiso 1 1 calc R . .
H33C H 1.2257 -0.0593 -0.0330 0.080 Uiso 1 1 calc R . .
C34 C 1.0996(4) -0.1910(2) -0.06727(10) 0.0424(10) Uani 1 1 d . . .
H34A H 1.1892 -0.2049 -0.0627 0.064 Uiso 1 1 calc R . .
H34B H 1.0968 -0.1654 -0.0868 0.064 Uiso 1 1 calc R . .
H34C H 1.0453 -0.2336 -0.0687 0.064 Uiso 1 1 calc R . .
C35 C 1.0606(5) -0.1819(3) 0.00096(11) 0.0519(12) Uani 1 1 d . . .
H35A H 0.9979 -0.2209 0.0021 0.078 Uiso 1 1 calc R . .
H35B H 1.0471 -0.1495 0.0182 0.078 Uiso 1 1 calc R . .
H35C H 1.1488 -0.2011 0.0018 0.078 Uiso 1 1 calc R . .
C36 C 0.8325(4) -0.2231(2) -0.13365(11) 0.0429(10) Uani 1 1 d . . .
H36A H 0.8388 -0.2440 -0.1542 0.064 Uiso 1 1 calc R . .
H36B H 0.8322 -0.2609 -0.1182 0.064 Uiso 1 1 calc R . .
H36C H 0.9069 -0.1918 -0.1301 0.064 Uiso 1 1 calc R . .
C37 C 0.5430(5) -0.2356(3) -0.13562(15) 0.0573(14) Uani 1 1 d . . .
H37A H 0.4601 -0.2105 -0.1341 0.086 Uiso 1 1 calc R . .
H37B H 0.5478 -0.2720 -0.1196 0.086 Uiso 1 1 calc R . .
H37C H 0.5498 -0.2583 -0.1558 0.086 Uiso 1 1 calc R . .
C38 C 0.6689(5) -0.1036(3) -0.16181(10) 0.0527(12) Uani 1 1 d . . .
H38A H 0.5928 -0.0734 -0.1584 0.079 Uiso 1 1 calc R . .
H38B H 0.6607 -0.1277 -0.1816 0.079 Uiso 1 1 calc R . .
H38C H 0.7474 -0.0743 -0.1618 0.079 Uiso 1 1 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 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'
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'
Si Si 0.0817 0.0704 '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
P2 Pd1 P1 160.65(4) . . ?
C6 P1 C1 97.19(19) . . ?
C6 P1 C5 97.15(18) . . ?
C1 P1 C5 96.15(19) . . ?
C6 P1 Pd1 112.65(14) . . ?
C1 P1 Pd1 124.10(13) . . ?
C5 P1 Pd1 123.69(14) . . ?
C25 P2 C24 97.68(17) . . ?
C25 P2 C20 95.20(17) . . ?
C24 P2 C20 97.35(17) . . ?
C25 P2 Pd1 112.61(13) . . ?
C24 P2 Pd1 120.52(13) . . ?
C20 P2 Pd1 127.28(13) . . ?
C15 Si1 C16 112.2(2) . . ?
C15 Si1 C14 104.5(2) . . ?
C16 Si1 C14 111.4(3) . . ?
C15 Si1 C1 108.9(2) . . ?
C16 Si1 C1 108.6(2) . . ?
C14 Si1 C1 111.3(2) . . ?
C5 Si2 C19 109.1(2) . . ?
C5 Si2 C18 114.2(2) . . ?
C19 Si2 C18 105.6(3) . . ?
C5 Si2 C17 108.4(2) . . ?
C19 Si2 C17 109.9(2) . . ?
C18 Si2 C17 109.6(4) . . ?
C34 Si3 C33 111.3(2) . . ?
C34 Si3 C20 108.57(19) . . ?
C33 Si3 C20 107.6(2) . . ?
C34 Si3 C35 106.9(2) . . ?
C33 Si3 C35 107.8(3) . . ?
C20 Si3 C35 114.7(2) . . ?
C36 Si4 C38 111.0(2) . . ?
C36 Si4 C37 106.5(2) . . ?
C38 Si4 C37 108.2(3) . . ?
C36 Si4 C24 106.76(19) . . ?
C38 Si4 C24 109.1(2) . . ?
C37 Si4 C24 115.3(2) . . ?
C2 C1 P1 113.2(3) . . ?
C2 C1 Si1 127.1(3) . . ?
P1 C1 Si1 119.7(2) . . ?
C1 C2 C12 127.8(4) . . ?
C1 C2 C3 117.3(4) . . ?
C12 C2 C3 114.9(4) . . ?
C11 C3 C4 109.4(3) . . ?
C11 C3 C2 108.2(3) . . ?
C4 C3 C2 108.4(3) . . ?
C11 C3 H3 110.2 . . ?
C4 C3 H3 110.2 . . ?
C2 C3 H3 110.2 . . ?
C5 C4 C13 127.1(4) . . ?
C5 C4 C3 118.6(4) . . ?
C13 C4 C3 114.4(4) . . ?
C4 C5 Si2 130.9(3) . . ?
C4 C5 P1 111.8(3) . . ?
Si2 C5 P1 117.3(2) . . ?
C7 C6 C11 120.0(4) . . ?
C7 C6 P1 125.5(3) . . ?
C11 C6 P1 114.5(3) . . ?
C6 C7 C8 119.3(4) . . ?
C6 C7 H7 120.3 . . ?
C8 C7 H7 120.3 . . ?
C9 C8 C7 120.7(5) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 120.8(4) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C9 C10 C11 118.6(4) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
C6 C11 C10 120.4(4) . . ?
C6 C11 C3 115.7(4) . . ?
C10 C11 C3 123.8(4) . . ?
C2 C12 H12A 109.5 . . ?
C2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C4 C13 H13A 109.5 . . ?
C4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si2 C17 H17A 109.5 . . ?
Si2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si2 C18 H18A 109.5 . . ?
Si2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 P2 112.6(3) . . ?
C21 C20 Si3 130.4(3) . . ?
P2 C20 Si3 116.9(2) . . ?
C20 C21 C31 127.7(4) . . ?
C20 C21 C22 118.6(3) . . ?
C31 C21 C22 113.6(3) . . ?
C30 C22 C21 107.3(3) . . ?
C30 C22 C23 109.0(3) . . ?
C21 C22 C23 108.2(3) . . ?
C30 C22 H22 110.7 . . ?
C21 C22 H22 110.7 . . ?
C23 C22 H22 110.7 . . ?
C24 C23 C32 128.6(4) . . ?
C24 C23 C22 118.6(4) . . ?
C32 C23 C22 112.7(3) . . ?
C23 C24 P2 113.1(3) . . ?
C23 C24 Si4 129.8(3) . . ?
P2 C24 Si4 117.04(19) . . ?
C26 C25 C30 120.0(4) . . ?
C26 C25 P2 125.9(3) . . ?
C30 C25 P2 114.0(3) . . ?
C25 C26 C27 120.1(4) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C28 C27 C26 119.7(4) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C29 120.9(4) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 H28 119.5 . . ?
C28 C29 C30 119.0(4) . . ?
C28 C29 H29 120.5 . . ?
C30 C29 H29 120.5 . . ?
C25 C30 C29 120.1(4) . . ?
C25 C30 C22 116.2(3) . . ?
C29 C30 C22 123.6(4) . . ?
C21 C31 H31A 109.5 . . ?
C21 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C21 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C23 C32 H32A 109.5 . . ?
C23 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C23 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si3 C33 H33A 109.5 . . ?
Si3 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si3 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si3 C34 H34A 109.5 . . ?
Si3 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si3 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si3 C35 H35A 109.5 . . ?
Si3 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si3 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si4 C36 H36A 109.5 . . ?
Si4 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si4 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si4 C37 H37A 109.5 . . ?
Si4 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si4 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si4 C38 H38A 109.5 . . ?
Si4 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si4 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
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 P2 2.2677(10) . ?
Pd1 P1 2.2743(10) . ?
P1 C6 1.833(4) . ?
P1 C1 1.861(4) . ?
P1 C5 1.867(4) . ?
P2 C25 1.831(4) . ?
P2 C24 1.865(4) . ?
P2 C20 1.873(4) . ?
Si1 C15 1.849(5) . ?
Si1 C16 1.854(5) . ?
Si1 C14 1.878(5) . ?
Si1 C1 1.879(4) . ?
Si2 C5 1.855(4) . ?
Si2 C19 1.863(4) . ?
Si2 C18 1.865(6) . ?
Si2 C17 1.868(5) . ?
Si3 C34 1.868(4) . ?
Si3 C33 1.872(4) . ?
Si3 C20 1.875(4) . ?
Si3 C35 1.877(5) . ?
Si4 C36 1.861(4) . ?
Si4 C38 1.862(5) . ?
Si4 C37 1.877(5) . ?
Si4 C24 1.883(4) . ?
C1 C2 1.352(6) . ?
C2 C12 1.519(6) . ?
C2 C3 1.541(6) . ?
C3 C11 1.512(6) . ?
C3 C4 1.531(6) . ?
C3 H3 1.0000 . ?
C4 C5 1.362(6) . ?
C4 C13 1.499(6) . ?
C6 C7 1.380(6) . ?
C6 C11 1.382(6) . ?
C7 C8 1.404(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.353(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.391(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.408(6) . ?
C10 H10 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.342(5) . ?
C21 C31 1.508(5) . ?
C21 C22 1.537(5) . ?
C22 C30 1.514(6) . ?
C22 C23 1.555(6) . ?
C22 H22 1.0000 . ?
C23 C24 1.324(5) . ?
C23 C32 1.514(5) . ?
C25 C26 1.386(5) . ?
C25 C30 1.391(6) . ?
C26 C27 1.389(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.381(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.392(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.396(5) . ?
C29 H29 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
