#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/05/4070598.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_4070598
loop_
_publ_author_name
'Tanabe, Makoto'
'Mutou, Kohji'
'Mintcheva, Neli'
'Osakada, Kohtaro'
_publ_section_title
;
 Preparation and NMR Studies of Palladium Complexes with a
 Silsesquioxanate Ligand
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              519
_journal_paper_doi               10.1021/om700827f
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C51 H88 F5 O12 P2 Pd Si7 '
_chemical_formula_sum            'C51 H88 F5 O12 P2 Pd Si7'
_chemical_formula_weight         1353.19
_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'
_cell_angle_alpha                102.186(7)
_cell_angle_beta                 99.416(5)
_cell_angle_gamma                91.966(7)
_cell_formula_units_Z            2
_cell_length_a                   13.700(6)
_cell_length_b                   14.054(6)
_cell_length_c                   17.196(7)
_cell_measurement_reflns_used    6360
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3185(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.881
_diffrn_measured_fraction_theta_max 0.881
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20863
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_exptl_absorpt_coefficient_mu    0.542
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.821
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1418.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.04
_refine_diff_density_min         -1.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     797
_refine_ls_number_reflns         10188
_refine_ls_R_factor_gt           0.0603
_refine_ls_shift/su_max          0.0008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo² + 3.0000σ(Fo²) + 0.5000]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1326
_reflns_number_gt                10091
_reflns_number_total             12827
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om700827f-file001.cif
_cod_data_source_block           PdC6F5(Cy7Si7O10(OH)2)(PMe3)2
_cod_original_formula_sum        'C51 H88 F5 O12 P2 Pd Si7 '
_cod_database_code               4070598
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
Pd1 Pd 0.65777(3) 1.10839(2) 0.82650(2) 0.01762(9) Uani 1.00 1 d .
P1 P 0.78281(9) 1.23056(8) 0.88449(8) 0.0204(3) Uani 1.00 1 d .
P2 P 0.53127(9) 0.98402(8) 0.79132(8) 0.0203(3) Uani 1.00 1 d .
Si1 Si 0.76449(9) 1.00046(9) 0.67543(8) 0.0195(3) Uani 1.00 1 d .
Si2 Si 0.76572(10) 0.76918(9) 0.61405(8) 0.0199(3) Uani 1.00 1 d .
Si3 Si 0.98633(9) 0.78890(9) 0.59661(8) 0.0184(3) Uani 1.00 1 d .
Si4 Si 0.99032(9) 1.01153(9) 0.66889(8) 0.0181(3) Uani 1.00 1 d .
Si5 Si 0.82178(10) 0.70430(9) 0.78088(8) 0.0217(3) Uani 1.00 1 d .
Si6 Si 1.04032(9) 0.74422(9) 0.77083(8) 0.0185(3) Uani 1.00 1 d .
Si7 Si 1.02307(9) 0.96658(9) 0.84320(8) 0.0186(3) Uani 1.00 1 d .
F1 F 0.6162(2) 1.1601(2) 1.00778(17) 0.0346(8) Uani 1.00 1 d .
F2 F 0.5035(2) 1.2917(2) 1.0800(2) 0.0521(11) Uani 1.00 1 d .
F3 F 0.3905(2) 1.4035(2) 0.9927(2) 0.0543(11) Uani 1.00 1 d .
F4 F 0.3886(2) 1.3766(2) 0.8306(2) 0.0432(10) Uani 1.00 1 d .
F5 F 0.5009(2) 1.2441(2) 0.75657(17) 0.0316(8) Uani 1.00 1 d .
O1 O 0.7621(2) 1.0258(2) 0.77077(19) 0.0199(8) Uani 1.00 1 d .
O2 O 0.7463(2) 0.8828(2) 0.6383(2) 0.0284(9) Uani 1.00 1 d .
O3 O 0.8685(2) 0.7579(2) 0.5777(2) 0.0264(9) Uani 1.00 1 d .
O4 O 1.0037(2) 0.9067(2) 0.61089(19) 0.0243(9) Uani 1.00 1 d .
O5 O 0.8737(2) 1.0346(2) 0.65904(19) 0.0222(8) Uani 1.00 1 d .
O6 O 0.8073(3) 0.7951(2) 0.8523(2) 0.0397(12) Uani 1.00 1 d .
O7 O 0.9395(2) 0.6861(2) 0.7806(2) 0.0251(9) Uani 1.00 1 d .
O8 O 1.0511(2) 0.8527(2) 0.82906(19) 0.0235(8) Uani 1.00 1 d .
O9 O 0.9102(2) 0.9715(2) 0.8614(2) 0.0212(9) Uani 1.00 1 d .
O10 O 0.7749(2) 0.7234(2) 0.6932(2) 0.0401(11) Uani 1.00 1 d .
O11 O 1.0349(2) 0.7541(2) 0.67791(19) 0.0229(8) Uani 1.00 1 d .
O12 O 1.0313(2) 1.0072(2) 0.76215(19) 0.0226(8) Uani 1.00 1 d .
C1 C 0.5631(3) 1.1959(3) 0.8798(2) 0.0216(12) Uani 1.00 1 d .
C2 C 0.5588(3) 1.2116(3) 0.9615(3) 0.0265(13) Uani 1.00 1 d .
C3 C 0.5032(4) 1.2800(4) 1.0000(3) 0.0349(15) Uani 1.00 1 d .
C4 C 0.4464(4) 1.3366(3) 0.9557(3) 0.0338(15) Uani 1.00 1 d .
C5 C 0.4452(3) 1.3220(3) 0.8740(3) 0.0318(14) Uani 1.00 1 d .
C6 C 0.5027(3) 1.2535(3) 0.8374(2) 0.0228(12) Uani 1.00 1 d .
C7 C 0.5595(3) 0.8671(3) 0.7337(3) 0.0321(14) Uani 1.00 1 d .
C8 C 0.4951(4) 0.9520(3) 0.8807(3) 0.0345(15) Uani 1.00 1 d .
C9 C 0.4139(3) 1.0102(3) 0.7358(3) 0.0342(15) Uani 1.00 1 d .
C10 C 0.8561(3) 1.1984(3) 0.9719(2) 0.0280(13) Uani 1.00 1 d .
C11 C 0.7505(3) 1.3547(3) 0.9235(3) 0.0326(14) Uani 1.00 1 d .
C12 C 0.8713(3) 1.2481(3) 0.8202(2) 0.0276(13) Uani 1.00 1 d .
C13 C 0.6684(3) 1.0591(3) 0.6146(2) 0.0245(13) Uani 1.00 1 d .
C14 C 0.6754(3) 1.1713(3) 0.6317(2) 0.0275(13) Uani 1.00 1 d .
C15 C 0.6010(4) 1.1948(4) 0.5637(3) 0.0419(17) Uani 1.00 1 d .
C16 C 0.6026(4) 1.1110(4) 0.4903(3) 0.0359(15) Uani 1.00 1 d .
C17 C 0.6637(4) 1.0325(3) 0.5225(3) 0.0342(15) Uani 1.00 1 d .
C18 C 0.6636(3) 0.7018(3) 0.5354(3) 0.0273(13) Uani 1.00 1 d .
C19 C 0.6763(6) 0.5923(5) 0.5096(6) 0.112(3) Uani 1.00 1 d .
C20 C 0.5961(8) 0.5554(5) 0.4369(5) 0.099(3) Uani 1.00 1 d .
C21 C 0.6079(6) 0.6367(5) 0.3931(5) 0.083(3) Uani 1.00 1 d .
C22 C 0.6605(5) 0.7294(5) 0.4549(4) 0.065(2) Uani 1.00 1 d .
C23 C 1.0414(3) 0.7286(3) 0.5098(2) 0.0243(12) Uani 1.00 1 d .
C24 C 1.0175(4) 0.6172(3) 0.4833(3) 0.0328(14) Uani 1.00 1 d .
C25 C 1.0930(4) 0.5820(4) 0.4300(4) 0.0449(18) Uani 1.00 1 d .
C26 C 1.1867(5) 0.6443(4) 0.4711(5) 0.074(2) Uani 1.00 1 d .
C27 C 1.1572(4) 0.7379(4) 0.5223(4) 0.0429(17) Uani 1.00 1 d .
C28 C 1.0643(3) 1.1082(3) 0.6422(2) 0.0210(12) Uani 1.00 1 d .
C29 C 1.1771(3) 1.0908(3) 0.6486(3) 0.0328(15) Uani 1.00 1 d .
C30 C 1.2314(5) 1.1871(4) 0.6912(7) 0.103(3) Uani 1.00 1 d .
C31 C 1.1614(4) 1.2658(3) 0.6924(4) 0.0417(17) Uani 1.00 1 d .
C32 C 1.0630(3) 1.2113(3) 0.6966(3) 0.0277(13) Uani 1.00 1 d .
C33 C 0.7528(3) 0.5970(3) 0.7966(2) 0.0222(12) Uani 1.00 1 d .
C34 C 0.6387(3) 0.6082(3) 0.7863(3) 0.0329(15) Uani 1.00 1 d .
C35 C 0.5935(3) 0.5058(3) 0.7761(3) 0.0356(15) Uani 1.00 1 d .
C36 C 0.6572(4) 0.4430(3) 0.7221(3) 0.0416(16) Uani 1.00 1 d .
C37 C 0.7593(3) 0.4983(3) 0.7381(3) 0.0306(14) Uani 1.00 1 d .
C38 C 1.1494(3) 0.6756(3) 0.7963(2) 0.0260(13) Uani 1.00 1 d .
C39 C 1.1494(4) 0.5740(3) 0.7401(3) 0.0456(18) Uani 1.00 1 d .
C40 C 1.2601(5) 0.5565(5) 0.7466(6) 0.084(3) Uani 1.00 1 d .
C41 C 1.3112(4) 0.6511(4) 0.7499(4) 0.058(2) Uani 1.00 1 d .
C42 C 1.2498(3) 0.7295(4) 0.7914(3) 0.0371(15) Uani 1.00 1 d .
C43 C 1.1166(3) 1.0383(3) 0.9276(2) 0.0208(11) Uani 1.00 1 d .
C44 C 1.1116(3) 1.1511(3) 0.9415(3) 0.0269(13) Uani 1.00 1 d .
C45 C 1.2181(4) 1.1932(3) 0.9503(4) 0.0430(17) Uani 1.00 1 d .
C46 C 1.2839(4) 1.1119(4) 0.9666(4) 0.0440(17) Uani 1.00 1 d .
C47 C 1.2247(3) 1.0202(3) 0.9164(3) 0.0305(14) Uani 1.00 1 d .
C48 C 0.9492(5) 0.5394(4) 0.0566(4) 0.049(2) Uani 1.00 1 d .
C49 C 0.9426(4) 0.5761(4) -0.0122(4) 0.0473(18) Uani 1.00 1 d .
C50 C 0.8953(8) 0.5742(8) 0.1096(9) 0.160(6) Uani 1.00 1 d .
C51 C 1.0049(4) 0.4639(4) 0.0693(4) 0.0502(19) Uani 1.00 1 d .
H1 H 0.869(4) 0.983(4) 0.832(3) 0.042(19) Uiso 1.00 1 c .
H2 H 0.836(4) 0.837(4) 0.859(4) 0.04(2) Uiso 1.00 1 c .
H3 H 0.5434 0.8657 0.6775 0.037 Uiso 1.00 1 c R
H4 H 0.5217 0.8160 0.7459 0.038 Uiso 1.00 1 c R
H5 H 0.6282 0.8585 0.7474 0.038 Uiso 1.00 1 c R
H6 H 0.5341 0.9019 0.8955 0.043 Uiso 1.00 1 c R
H7 H 0.4269 0.9296 0.8691 0.043 Uiso 1.00 1 c R
H8 H 0.5054 1.0078 0.9241 0.043 Uiso 1.00 1 c R
H9 H 0.3725 1.0371 0.7729 0.040 Uiso 1.00 1 c R
H10 H 0.3820 0.9515 0.7016 0.040 Uiso 1.00 1 c R
H11 H 0.4259 1.0555 0.7040 0.040 Uiso 1.00 1 c R
H12 H 0.8286 1.2237 1.0186 0.034 Uiso 1.00 1 c R
H13 H 0.9224 1.2252 0.9790 0.034 Uiso 1.00 1 c R
H14 H 0.8556 1.1294 0.9638 0.034 Uiso 1.00 1 c R
H15 H 0.7455 1.3901 0.8818 0.038 Uiso 1.00 1 c R
H16 H 0.8005 1.3862 0.9673 0.038 Uiso 1.00 1 c R
H17 H 0.6887 1.3522 0.9416 0.038 Uiso 1.00 1 c R
H18 H 0.9245 1.2075 0.8281 0.033 Uiso 1.00 1 c R
H19 H 0.8964 1.3144 0.8335 0.033 Uiso 1.00 1 c R
H20 H 0.8394 1.2314 0.7652 0.032 Uiso 1.00 1 c R
H21 H 0.6057 1.0390 0.6248 0.030 Uiso 1.00 1 c R
H22 H 0.6581 1.1979 0.6828 0.032 Uiso 1.00 1 c R
H23 H 0.7404 1.1959 0.6305 0.032 Uiso 1.00 1 c R
H24 H 0.5366 1.1974 0.5775 0.050 Uiso 1.00 1 c R
H25 H 0.6202 1.2555 0.5526 0.050 Uiso 1.00 1 c R
H26 H 0.5370 1.0849 0.4667 0.043 Uiso 1.00 1 c R
H27 H 0.6330 1.1337 0.4511 0.043 Uiso 1.00 1 c R
H28 H 0.7285 1.0345 0.5097 0.040 Uiso 1.00 1 c R
H29 H 0.6317 0.9693 0.5003 0.040 Uiso 1.00 1 c R
H30 H 0.6018 0.7117 0.5530 0.031 Uiso 1.00 1 c R
H31 H 0.7400 0.5818 0.4956 0.113 Uiso 1.00 1 c R
H32 H 0.6682 0.5604 0.5519 0.113 Uiso 1.00 1 c R
H33 H 0.6087 0.4938 0.4064 0.112 Uiso 1.00 1 c R
H34 H 0.5323 0.5514 0.4514 0.112 Uiso 1.00 1 c R
H35 H 0.6470 0.6167 0.3525 0.093 Uiso 1.00 1 c R
H36 H 0.5445 0.6515 0.3688 0.093 Uiso 1.00 1 c R
H37 H 0.6233 0.7848 0.4521 0.075 Uiso 1.00 1 c R
H38 H 0.7255 0.7426 0.4455 0.075 Uiso 1.00 1 c R
H39 H 1.0168 0.7565 0.4653 0.031 Uiso 1.00 1 c R
H40 H 1.0248 0.5881 0.5288 0.038 Uiso 1.00 1 c R
H41 H 0.9519 0.6023 0.4537 0.038 Uiso 1.00 1 c R
H42 H 1.1025 0.5149 0.4276 0.057 Uiso 1.00 1 c R
H43 H 1.0726 0.5918 0.3769 0.057 Uiso 1.00 1 c R
H44 H 1.2273 0.6103 0.5047 0.088 Uiso 1.00 1 c R
H45 H 1.2220 0.6597 0.4317 0.088 Uiso 1.00 1 c R
H46 H 1.1795 0.7932 0.5046 0.052 Uiso 1.00 1 c R
H47 H 1.1848 0.7437 0.5776 0.053 Uiso 1.00 1 c R
H48 H 1.0390 1.1112 0.5880 0.026 Uiso 1.00 1 c R
H49 H 1.1936 1.0425 0.6789 0.041 Uiso 1.00 1 c R
H50 H 1.1935 1.0707 0.5963 0.041 Uiso 1.00 1 c R
H51 H 1.2587 1.1844 0.7451 0.118 Uiso 1.00 1 c R
H52 H 1.2833 1.2004 0.6637 0.118 Uiso 1.00 1 c R
H53 H 1.1810 1.3178 0.7383 0.049 Uiso 1.00 1 c R
H54 H 1.1563 1.2907 0.6447 0.049 Uiso 1.00 1 c R
H55 H 1.0078 1.2437 0.6766 0.033 Uiso 1.00 1 c R
H56 H 1.0602 1.2070 0.7506 0.033 Uiso 1.00 1 c R
H57 H 0.7755 0.5898 0.8501 0.027 Uiso 1.00 1 c R
H58 H 0.6225 0.6501 0.8328 0.041 Uiso 1.00 1 c R
H59 H 0.6163 0.6336 0.7400 0.041 Uiso 1.00 1 c R
H60 H 0.5981 0.4879 0.8268 0.043 Uiso 1.00 1 c R
H61 H 0.5260 0.4999 0.7504 0.043 Uiso 1.00 1 c R
H62 H 0.6632 0.3810 0.7356 0.047 Uiso 1.00 1 c R
H63 H 0.6279 0.4344 0.6668 0.047 Uiso 1.00 1 c R
H64 H 0.7758 0.5091 0.6889 0.037 Uiso 1.00 1 c R
H65 H 0.8083 0.4619 0.7620 0.037 Uiso 1.00 1 c R
H66 H 1.1521 0.6672 0.8499 0.031 Uiso 1.00 1 c R
H67 H 1.1147 0.5256 0.7582 0.054 Uiso 1.00 1 c R
H68 H 1.1204 0.5744 0.6861 0.054 Uiso 1.00 1 c R
H69 H 1.2830 0.5341 0.7943 0.107 Uiso 1.00 1 c R
H70 H 1.2712 0.5098 0.7008 0.107 Uiso 1.00 1 c R
H71 H 1.3764 0.6556 0.7802 0.069 Uiso 1.00 1 c R
H72 H 1.3146 0.6589 0.6968 0.069 Uiso 1.00 1 c R
H73 H 1.2377 0.7779 0.7607 0.043 Uiso 1.00 1 c R
H74 H 1.2839 0.7591 0.8442 0.043 Uiso 1.00 1 c R
H75 H 1.1067 1.0195 0.9759 0.025 Uiso 1.00 1 c R
H76 H 1.0710 1.1677 0.8966 0.030 Uiso 1.00 1 c R
H77 H 1.0855 1.1755 0.9892 0.031 Uiso 1.00 1 c R
H78 H 1.2283 1.2116 0.9020 0.051 Uiso 1.00 1 c R
H79 H 1.2320 1.2484 0.9941 0.051 Uiso 1.00 1 c R
H80 H 1.3458 1.1195 0.9496 0.049 Uiso 1.00 1 c R
H81 H 1.2951 1.1105 1.0223 0.049 Uiso 1.00 1 c R
H82 H 1.2459 0.9644 0.9357 0.035 Uiso 1.00 1 c R
H83 H 1.2309 1.0116 0.8612 0.034 Uiso 1.00 1 c R
H84 H 0.9020 0.6282 -0.0193 0.054 Uiso 1.00 1 c R
H85 H 0.9310 0.6283 0.1475 0.188 Uiso 1.00 1 c R
H86 H 0.8795 0.5252 0.1369 0.188 Uiso 1.00 1 c R
H87 H 0.8359 0.5948 0.0832 0.188 Uiso 1.00 1 c R
H88 H 1.0068 0.4399 0.1171 0.056 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.999 1.007
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.082 0.070
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, 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 170.05(5) . .
P1 Pd1 O1 88.68(8) . .
P1 Pd1 C1 87.91(12) . .
P2 Pd1 O1 95.69(8) . .
P2 Pd1 C1 87.97(12) . .
O1 Pd1 C1 176.10(15) . .
Pd1 P1 C10 109.03(16) . .
Pd1 P1 C11 119.68(17) . .
Pd1 P1 C12 114.88(14) . .
C10 P1 C11 103.6(2) . .
C10 P1 C12 104.9(2) . .
C11 P1 C12 103.2(2) . .
Pd1 P2 C7 116.75(17) . .
Pd1 P2 C8 111.45(16) . .
Pd1 P2 C9 116.79(17) . .
C7 P2 C8 102.8(2) . .
C7 P2 C9 104.5(2) . .
C8 P2 C9 102.8(2) . .
O1 Si1 O2 110.97(19) . .
O1 Si1 O5 110.05(16) . .
O1 Si1 C13 114.0(2) . .
O2 Si1 O5 107.02(17) . .
O2 Si1 C13 106.51(18) . .
O5 Si1 C13 108.0(2) . .
O2 Si2 O3 109.31(18) . .
O2 Si2 O10 109.3(2) . .
O2 Si2 C18 110.9(2) . .
O3 Si2 O10 109.52(19) . .
O3 Si2 C18 108.1(2) . .
O10 Si2 C18 109.7(2) . .
O3 Si3 O4 109.47(18) . .
O3 Si3 O11 108.48(19) . .
O3 Si3 C23 108.53(19) . .
O4 Si3 O11 109.58(16) . .
O4 Si3 C23 110.2(2) . .
O11 Si3 C23 110.6(2) . .
O4 Si4 O5 110.36(16) . .
O4 Si4 O12 108.70(17) . .
O4 Si4 C28 109.3(2) . .
O5 Si4 O12 109.28(18) . .
O5 Si4 C28 110.4(2) . .
O12 Si4 C28 108.75(18) . .
O6 Si5 O7 111.68(19) . .
O6 Si5 O10 110.9(2) . .
O6 Si5 C33 106.7(2) . .
O7 Si5 O10 107.5(2) . .
O7 Si5 C33 111.80(19) . .
O10 Si5 C33 108.1(2) . .
O7 Si6 O8 109.01(17) . .
O7 Si6 O11 110.24(17) . .
O7 Si6 C38 110.2(2) . .
O8 Si6 O11 109.04(18) . .
O8 Si6 C38 111.01(17) . .
O11 Si6 C38 107.4(2) . .
O8 Si7 O9 108.31(17) . .
O8 Si7 O12 109.31(17) . .
O8 Si7 C43 107.55(18) . .
O9 Si7 O12 110.15(19) . .
O9 Si7 C43 113.2(2) . .
O12 Si7 C43 108.2(2) . .
Pd1 O1 Si1 125.61(17) . .
Si1 O2 Si2 161.5(2) . .
Si2 O3 Si3 144.4(2) . .
Si3 O4 Si4 145.5(2) . .
Si1 O5 Si4 144.3(2) . .
Si5 O7 Si6 139.1(2) . .
Si6 O8 Si7 149.0(2) . .
Si2 O10 Si5 158.4(2) . .
Si3 O11 Si6 154.0(2) . .
Si4 O12 Si7 151.5(2) . .
Pd1 C1 C2 123.6(3) . .
Pd1 C1 C6 121.4(3) . .
C2 C1 C6 114.6(4) . .
F1 C2 C1 118.8(4) . .
F1 C2 C3 117.3(4) . .
C1 C2 C3 123.9(4) . .
F2 C3 C2 120.5(5) . .
F2 C3 C4 120.3(4) . .
C2 C3 C4 119.3(5) . .
F3 C4 C3 120.0(5) . .
F3 C4 C5 120.6(5) . .
C3 C4 C5 119.4(4) . .
F4 C5 C4 119.4(4) . .
F4 C5 C6 120.9(5) . .
C4 C5 C6 119.8(5) . .
F5 C6 C1 119.8(4) . .
F5 C6 C5 117.2(4) . .
C1 C6 C5 123.0(4) . .
Si1 C13 C14 117.1(3) . .
Si1 C13 C17 116.0(3) . .
C14 C13 C17 101.7(4) . .
C13 C14 C15 104.1(3) . .
C14 C15 C16 105.2(4) . .
C15 C16 C17 106.2(4) . .
C13 C17 C16 105.0(4) . .
Si2 C18 C19 114.0(4) . .
Si2 C18 C22 112.9(3) . .
C19 C18 C22 99.3(5) . .
C18 C19 C20 105.2(6) . .
C19 C20 C21 98.4(6) . .
C20 C21 C22 109.3(6) . .
C18 C22 C21 103.2(6) . .
Si3 C23 C24 114.8(3) . .
Si3 C23 C27 115.7(3) . .
C24 C23 C27 102.4(4) . .
C23 C24 C25 104.4(4) . .
C24 C25 C26 104.0(4) . .
C25 C26 C27 108.1(5) . .
C23 C27 C26 105.8(4) . .
Si4 C28 C29 113.8(3) . .
Si4 C28 C32 114.5(3) . .
C29 C28 C32 103.8(3) . .
C28 C29 C30 105.9(4) . .
C29 C30 C31 109.7(5) . .
C30 C31 C32 101.9(4) . .
C28 C32 C31 104.8(4) . .
Si5 C33 C34 112.3(3) . .
Si5 C33 C37 117.0(3) . .
C34 C33 C37 102.7(3) . .
C33 C34 C35 104.4(4) . .
C34 C35 C36 103.3(4) . .
C35 C36 C37 106.6(3) . .
C33 C37 C36 107.0(4) . .
Si6 C38 C39 114.8(3) . .
Si6 C38 C42 113.0(3) . .
C39 C38 C42 104.0(4) . .
C38 C39 C40 103.1(4) . .
C39 C40 C41 106.1(5) . .
C40 C41 C42 106.5(6) . .
C38 C42 C41 106.4(4) . .
Si7 C43 C44 114.9(3) . .
Si7 C43 C47 113.1(3) . .
C44 C43 C47 104.8(3) . .
C43 C44 C45 106.1(3) . .
C44 C45 C46 105.8(4) . .
C45 C46 C47 103.5(4) . .
C43 C47 C46 104.0(3) . .
C49 C48 C50 118.5(8) . .
C49 C48 C51 123.2(7) . .
C50 C48 C51 118.2(9) . .
C48 C49 C51 118.3(6) . 2_765
C48 C51 C49 118.4(7) . 2_765
Si5 O6 H2 120(5) . .
Si7 O9 H1 122(5) . .
P2 C7 H3 109.5 . .
P2 C7 H4 109.5 . .
P2 C7 H5 109.5 . .
H3 C7 H4 109.5 . .
H3 C7 H5 109.5 . .
H4 C7 H5 109.5 . .
P2 C8 H6 109.5 . .
P2 C8 H7 109.5 . .
P2 C8 H8 109.5 . .
H6 C8 H7 109.5 . .
H6 C8 H8 109.5 . .
H7 C8 H8 109.5 . .
P2 C9 H9 109.5 . .
P2 C9 H10 109.5 . .
P2 C9 H11 109.5 . .
H9 C9 H10 109.5 . .
H9 C9 H11 109.5 . .
H10 C9 H11 109.5 . .
P1 C10 H12 109.5 . .
P1 C10 H13 109.5 . .
P1 C10 H14 109.5 . .
H12 C10 H13 109.5 . .
H12 C10 H14 109.5 . .
H13 C10 H14 109.5 . .
P1 C11 H15 109.5 . .
P1 C11 H16 109.5 . .
P1 C11 H17 109.5 . .
H15 C11 H16 109.5 . .
H15 C11 H17 109.5 . .
H16 C11 H17 109.5 . .
P1 C12 H18 109.5 . .
P1 C12 H19 109.5 . .
P1 C12 H20 109.5 . .
H18 C12 H19 109.5 . .
H18 C12 H20 109.5 . .
H19 C12 H20 109.5 . .
Si1 C13 H21 107.1 . .
C14 C13 H21 107.1 . .
C17 C13 H21 107.1 . .
C13 C14 H22 110.8 . .
C13 C14 H23 110.8 . .
C15 C14 H22 110.8 . .
C15 C14 H23 110.8 . .
H22 C14 H23 109.5 . .
C14 C15 H24 110.5 . .
C14 C15 H25 110.5 . .
C16 C15 H24 110.5 . .
C16 C15 H25 110.5 . .
H24 C15 H25 109.5 . .
C15 C16 H26 110.3 . .
C15 C16 H27 110.3 . .
C17 C16 H26 110.3 . .
C17 C16 H27 110.3 . .
H26 C16 H27 109.5 . .
C13 C17 H28 110.6 . .
C13 C17 H29 110.6 . .
C16 C17 H28 110.6 . .
C16 C17 H29 110.6 . .
H28 C17 H29 109.5 . .
Si2 C18 H30 110.1 . .
C19 C18 H30 110.1 . .
C22 C18 H30 110.1 . .
C18 C19 H31 110.5 . .
C18 C19 H32 110.5 . .
C20 C19 H31 110.5 . .
C20 C19 H32 110.5 . .
H31 C19 H32 109.5 . .
C19 C20 H33 112.2 . .
C19 C20 H34 112.1 . .
C21 C20 H33 112.2 . .
C21 C20 H34 112.1 . .
H33 C20 H34 109.5 . .
C20 C21 H35 109.5 . .
C20 C21 H36 109.6 . .
C22 C21 H35 109.5 . .
C22 C21 H36 109.6 . .
H35 C21 H36 109.5 . .
C18 C22 H37 111.0 . .
C18 C22 H38 111.0 . .
C21 C22 H37 111.0 . .
C21 C22 H38 111.0 . .
H37 C22 H38 109.5 . .
Si3 C23 H39 107.8 . .
C24 C23 H39 107.8 . .
C27 C23 H39 107.8 . .
C23 C24 H40 110.7 . .
C23 C24 H41 110.7 . .
C25 C24 H40 110.7 . .
C25 C24 H41 110.7 . .
H40 C24 H41 109.5 . .
C24 C25 H42 110.8 . .
C24 C25 H43 110.8 . .
C26 C25 H42 110.9 . .
C26 C25 H43 110.8 . .
H42 C25 H43 109.5 . .
C25 C26 H44 109.8 . .
C25 C26 H45 109.9 . .
C27 C26 H44 109.8 . .
C27 C26 H45 109.8 . .
H44 C26 H45 109.5 . .
C23 C27 H46 110.4 . .
C23 C27 H47 110.4 . .
C26 C27 H46 110.4 . .
C26 C27 H47 110.4 . .
H46 C27 H47 109.5 . .
Si4 C28 H48 108.2 . .
C29 C28 H48 108.2 . .
C32 C28 H48 108.2 . .
C28 C29 H49 110.4 . .
C28 C29 H50 110.4 . .
C30 C29 H49 110.4 . .
C30 C29 H50 110.3 . .
H49 C29 H50 109.5 . .
C29 C30 H51 109.4 . .
C29 C30 H52 109.5 . .
C31 C30 H51 109.4 . .
C31 C30 H52 109.5 . .
H51 C30 H52 109.5 . .
C30 C31 H53 111.4 . .
C30 C31 H54 111.3 . .
C32 C31 H53 111.4 . .
C32 C31 H54 111.3 . .
H53 C31 H54 109.5 . .
C28 C32 H55 110.6 . .
C28 C32 H56 110.6 . .
C31 C32 H55 110.6 . .
C31 C32 H56 110.6 . .
H55 C32 H56 109.5 . .
Si5 C33 H57 108.2 . .
C34 C33 H57 108.2 . .
C37 C33 H57 108.2 . .
C33 C34 H58 110.7 . .
C33 C34 H59 110.7 . .
C35 C34 H58 110.7 . .
C35 C34 H59 110.7 . .
H58 C34 H59 109.5 . .
C34 C35 H60 111.0 . .
C34 C35 H61 111.0 . .
C36 C35 H60 111.0 . .
C36 C35 H61 111.0 . .
H60 C35 H61 109.5 . .
C35 C36 H62 110.2 . .
C35 C36 H63 110.2 . .
C37 C36 H62 110.2 . .
C37 C36 H63 110.2 . .
H62 C36 H63 109.5 . .
C33 C37 H64 110.1 . .
C33 C37 H65 110.1 . .
C36 C37 H64 110.1 . .
C36 C37 H65 110.1 . .
H64 C37 H65 109.5 . .
Si6 C38 H66 108.3 . .
C39 C38 H66 108.3 . .
C42 C38 H66 108.3 . .
C38 C39 H67 111.0 . .
C38 C39 H68 111.0 . .
C40 C39 H67 111.0 . .
C40 C39 H68 111.0 . .
H67 C39 H68 109.5 . .
C39 C40 H69 110.3 . .
C39 C40 H70 110.3 . .
C41 C40 H69 110.3 . .
C41 C40 H70 110.3 . .
H69 C40 H70 109.5 . .
C40 C41 H71 110.2 . .
C40 C41 H72 110.2 . .
C42 C41 H71 110.2 . .
C42 C41 H72 110.2 . .
H71 C41 H72 109.5 . .
C38 C42 H73 110.2 . .
C38 C42 H74 110.2 . .
C41 C42 H73 110.2 . .
C41 C42 H74 110.2 . .
H73 C42 H74 109.5 . .
Si7 C43 H75 107.9 . .
C44 C43 H75 107.9 . .
C47 C43 H75 107.9 . .
C43 C44 H76 110.3 . .
C43 C44 H77 110.3 . .
C45 C44 H76 110.3 . .
C45 C44 H77 110.3 . .
H76 C44 H77 109.5 . .
C44 C45 H78 110.4 . .
C44 C45 H79 110.4 . .
C46 C45 H78 110.4 . .
C46 C45 H79 110.4 . .
H78 C45 H79 109.5 . .
C45 C46 H80 110.9 . .
C45 C46 H81 110.9 . .
C47 C46 H80 110.9 . .
C47 C46 H81 110.9 . .
H80 C46 H81 109.5 . .
C43 C47 H82 110.8 . .
C43 C47 H83 110.8 . .
C46 C47 H82 110.8 . .
C46 C47 H83 110.8 . .
H82 C47 H83 109.5 . .
C48 C49 H84 120.8 . .
C51 C49 H84 120.8 2_765 .
C48 C50 H85 109.5 . .
C48 C50 H86 109.5 . .
C48 C50 H87 109.5 . .
H85 C50 H86 109.5 . .
H85 C50 H87 109.5 . .
H86 C50 H87 109.5 . .
C48 C51 H88 120.8 . .
C49 C51 H88 120.8 2_765 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 P1 2.3224(11) .
Pd1 P2 2.3297(11) .
Pd1 O1 2.098(3) .
Pd1 C1 2.014(4) .
P1 C10 1.815(5) .
P1 C11 1.829(4) .
P1 C12 1.813(5) .
P2 C7 1.821(4) .
P2 C8 1.827(6) .
P2 C9 1.822(5) .
Si1 O1 1.609(3) .
Si1 O2 1.636(3) .
Si1 O5 1.642(3) .
Si1 C13 1.870(5) .
Si2 O2 1.606(3) .
Si2 O3 1.632(3) .
Si2 O10 1.612(4) .
Si2 C18 1.853(4) .
Si3 O3 1.619(3) .
Si3 O4 1.625(3) .
Si3 O11 1.626(3) .
Si3 C23 1.842(5) .
Si4 O4 1.630(3) .
Si4 O5 1.630(3) .
Si4 O12 1.625(3) .
Si4 C28 1.846(5) .
Si5 O6 1.616(4) .
Si5 O7 1.643(3) .
Si5 O10 1.621(4) .
Si5 C33 1.844(5) .
Si6 O7 1.631(3) .
Si6 O8 1.624(3) .
Si6 O11 1.623(3) .
Si6 C38 1.848(5) .
Si7 O8 1.637(3) .
Si7 O9 1.628(3) .
Si7 O12 1.632(3) .
Si7 C43 1.858(4) .
F1 C2 1.363(6) .
F2 C3 1.349(6) .
F3 C4 1.351(6) .
F4 C5 1.356(6) .
F5 C6 1.364(5) .
C1 C2 1.386(7) .
C1 C6 1.402(6) .
C2 C3 1.374(7) .
C3 C4 1.387(8) .
C4 C5 1.375(8) .
C5 C6 1.380(6) .
C13 C14 1.538(6) .
C13 C17 1.537(7) .
C14 C15 1.521(7) .
C15 C16 1.538(7) .
C16 C17 1.548(8) .
C18 C19 1.533(8) .
C18 C22 1.508(10) .
C19 C20 1.509(12) .
C20 C21 1.514(13) .
C21 C22 1.564(9) .
C23 C24 1.544(6) .
C23 C27 1.564(7) .
C24 C25 1.519(8) .
C25 C26 1.509(8) .
C26 C27 1.526(9) .
C28 C29 1.562(6) .
C28 C32 1.553(6) .
C29 C30 1.501(7) .
C30 C31 1.488(8) .
C31 C32 1.548(7) .
C33 C34 1.561(6) .
C33 C37 1.547(6) .
C34 C35 1.511(7) .
C35 C36 1.542(8) .
C36 C37 1.532(7) .
C38 C39 1.547(6) .
C38 C42 1.570(7) .
C39 C40 1.534(10) .
C40 C41 1.467(10) .
C41 C42 1.536(8) .
C43 C44 1.558(6) .
C43 C47 1.547(6) .
C44 C45 1.527(7) .
C45 C46 1.524(8) .
C46 C47 1.514(6) .
C48 C49 1.378(11) .
C48 C50 1.293(16) .
C48 C51 1.362(9) .
C49 C51 1.350(10) 2_765
O6 H2 0.67(6) .
O9 H1 0.73(5) .
C7 H3 0.950 .
C7 H4 0.950 .
C7 H5 0.950 .
C8 H6 0.950 .
C8 H7 0.950 .
C8 H8 0.950 .
C9 H9 0.950 .
C9 H10 0.950 .
C9 H11 0.950 .
C10 H12 0.950 .
C10 H13 0.950 .
C10 H14 0.950 .
C11 H15 0.950 .
C11 H16 0.950 .
C11 H17 0.950 .
C12 H18 0.950 .
C12 H19 0.950 .
C12 H20 0.950 .
C13 H21 0.950 .
C14 H22 0.950 .
C14 H23 0.950 .
C15 H24 0.950 .
C15 H25 0.950 .
C16 H26 0.950 .
C16 H27 0.950 .
C17 H28 0.950 .
C17 H29 0.950 .
C18 H30 0.950 .
C19 H31 0.950 .
C19 H32 0.950 .
C20 H33 0.950 .
C20 H34 0.950 .
C21 H35 0.950 .
C21 H36 0.950 .
C22 H37 0.950 .
C22 H38 0.950 .
C23 H39 0.950 .
C24 H40 0.950 .
C24 H41 0.950 .
C25 H42 0.950 .
C25 H43 0.950 .
C26 H44 0.950 .
C26 H45 0.950 .
C27 H46 0.950 .
C27 H47 0.950 .
C28 H48 0.950 .
C29 H49 0.950 .
C29 H50 0.950 .
C30 H51 0.950 .
C30 H52 0.950 .
C31 H53 0.950 .
C31 H54 0.950 .
C32 H55 0.950 .
C32 H56 0.950 .
C33 H57 0.950 .
C34 H58 0.950 .
C34 H59 0.950 .
C35 H60 0.950 .
C35 H61 0.950 .
C36 H62 0.950 .
C36 H63 0.950 .
C37 H64 0.950 .
C37 H65 0.950 .
C38 H66 0.950 .
C39 H67 0.950 .
C39 H68 0.950 .
C40 H69 0.950 .
C40 H70 0.950 .
C41 H71 0.950 .
C41 H72 0.950 .
C42 H73 0.950 .
C42 H74 0.950 .
C43 H75 0.950 .
C44 H76 0.950 .
C44 H77 0.950 .
C45 H78 0.950 .
C45 H79 0.950 .
C46 H80 0.950 .
C46 H81 0.950 .
C47 H82 0.950 .
C47 H83 0.950 .
C49 H84 0.950 .
C50 H85 0.950 .
C50 H86 0.950 .
C50 H87 0.950 .
C51 H88 0.950 .
