#------------------------------------------------------------------------------
#$Date: 2016-03-22 10:40:54 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178880 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/09/4110956.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_4110956
loop_
_publ_author_name
'Vladimir V. Grushin'
'William J. Marshall'
_publ_section_title
;
 Facile Ar-CF3 Bond Formation at Pd. Strikingly Different Outcomes of
 Reductive Elimination from [(Ph3P)2Pd(CF3)Ph] and [(Xantphos)Pd(CF3)Ph]
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12644
_journal_page_last               12645
_journal_paper_doi               10.1021/ja064935c
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C60 H52 F O P2 Pd'
_chemical_formula_weight         976.36
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 94.173(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.9076(15)
_cell_length_b                   9.1883(9)
_cell_length_c                   32.968(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4806.0(8)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0752
_diffrn_reflns_av_sigmaI/netI    0.0565
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            72416
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    0.498
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_description       needle
_exptl_crystal_F_000             2020
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.048
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         12007
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0409
_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)+(0.0351P)²+1.5349P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0822
_refine_ls_wR_factor_ref         0.0916
_reflns_number_gt                8792
_reflns_number_total             12007
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja064935csi20060711_084551.cif
_cod_data_source_block           06075
_cod_database_code               4110956
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Pd1 Pd 0.431104(11) 0.863759(19) 0.137754(5) 0.02031(6) Uani 1 1 d .
P1 P 0.49144(4) 0.72080(6) 0.189228(19) 0.02027(13) Uani 1 1 d .
P2 P 0.31886(4) 0.92378(7) 0.092638(19) 0.02310(14) Uani 1 1 d .
F1 F 0.38186(9) 0.99376(15) 0.18173(4) 0.0289(3) Uani 1 1 d .
O1 O 0.30581(10) 0.70932(17) 0.16433(5) 0.0211(3) Uani 1 1 d .
C1 C 0.48997(15) 0.7548(3) 0.09628(7) 0.0245(5) Uani 1 1 d .
C2 C 0.55825(17) 0.8228(3) 0.07995(8) 0.0338(6) Uani 1 1 d .
H2A H 0.5738 0.9162 0.0884 0.041 Uiso 1 1 calc R
C3 C 0.6032(2) 0.7527(4) 0.05126(9) 0.0492(8) Uani 1 1 d .
H3A H 0.6485 0.7994 0.0406 0.059 Uiso 1 1 calc R
C4 C 0.5813(2) 0.6145(4) 0.03851(9) 0.0541(9) Uani 1 1 d .
H4A H 0.6119 0.5673 0.0194 0.065 Uiso 1 1 calc R
C5 C 0.5143(2) 0.5473(3) 0.05408(8) 0.0427(8) Uani 1 1 d .
H5A H 0.4990 0.4541 0.0453 0.051 Uiso 1 1 calc R
C6 C 0.46863(17) 0.6159(3) 0.08287(8) 0.0307(6) Uani 1 1 d .
H6A H 0.4233 0.5682 0.0932 0.037 Uiso 1 1 calc R
C7 C 0.32101(15) 0.6791(2) 0.20549(7) 0.0197(5) Uani 1 1 d .
C8 C 0.40514(15) 0.6775(2) 0.22088(7) 0.0202(5) Uani 1 1 d .
C9 C 0.42205(16) 0.6414(3) 0.26195(7) 0.0244(5) Uani 1 1 d .
H9A H 0.4774 0.6414 0.2732 0.029 Uiso 1 1 calc R
C10 C 0.35718(17) 0.6058(3) 0.28589(8) 0.0275(6) Uani 1 1 d .
H10A H 0.3692 0.5803 0.3130 0.033 Uiso 1 1 calc R
C11 C 0.27441(17) 0.6080(3) 0.26972(8) 0.0269(6) Uani 1 1 d .
H11A H 0.2314 0.5832 0.2861 0.032 Uiso 1 1 calc R
C12 C 0.25455(15) 0.6470(2) 0.22916(7) 0.0216(5) Uani 1 1 d .
C13 C 0.16345(15) 0.6483(3) 0.21113(8) 0.0253(5) Uani 1 1 d .
C14 C 0.15704(15) 0.7318(2) 0.17076(7) 0.0239(5) Uani 1 1 d .
C15 C 0.07978(16) 0.7770(3) 0.15271(8) 0.0316(6) Uani 1 1 d .
H15A H 0.0307 0.7506 0.1645 0.038 Uiso 1 1 calc R
C16 C 0.07391(17) 0.8603(3) 0.11767(8) 0.0346(6) Uani 1 1 d .
H16A H 0.0214 0.8866 0.1057 0.041 Uiso 1 1 calc R
C17 C 0.14642(16) 0.9041(3) 0.10064(8) 0.0301(6) Uani 1 1 d .
H17A H 0.1424 0.9657 0.0782 0.036 Uiso 1 1 calc R
C18 C 0.22559(15) 0.8578(3) 0.11645(7) 0.0236(5) Uani 1 1 d .
C19 C 0.22808(15) 0.7676(2) 0.15104(7) 0.0220(5) Uani 1 1 d .
C20 C 0.13337(18) 0.4905(3) 0.20466(9) 0.0395(7) Uani 1 1 d .
H20A H 0.1686 0.4421 0.1864 0.059 Uiso 1 1 calc R
H20B H 0.0761 0.4902 0.1932 0.059 Uiso 1 1 calc R
H20C H 0.1366 0.4405 0.2303 0.059 Uiso 1 1 calc R
C21 C 0.10775(17) 0.7227(3) 0.24134(9) 0.0374(7) Uani 1 1 d .
H21A H 0.1275 0.8202 0.2465 0.056 Uiso 1 1 calc R
H21B H 0.1106 0.6689 0.2664 0.056 Uiso 1 1 calc R
H21C H 0.0505 0.7255 0.2300 0.056 Uiso 1 1 calc R
C22 C 0.53248(15) 0.5428(3) 0.17618(7) 0.0221(5) Uani 1 1 d .
C23 C 0.48414(17) 0.4182(3) 0.17875(8) 0.0294(6) Uani 1 1 d .
H23A H 0.4320 0.4235 0.1898 0.035 Uiso 1 1 calc R
C24 C 0.5127(2) 0.2852(3) 0.16504(9) 0.0399(7) Uani 1 1 d .
H24A H 0.4794 0.2025 0.1665 0.048 Uiso 1 1 calc R
C25 C 0.59045(19) 0.2763(3) 0.14932(9) 0.0399(7) Uani 1 1 d .
H25A H 0.6100 0.1873 0.1404 0.048 Uiso 1 1 calc R
C26 C 0.63909(17) 0.3995(3) 0.14684(8) 0.0344(6) Uani 1 1 d .
H26A H 0.6918 0.3932 0.1365 0.041 Uiso 1 1 calc R
C27 C 0.61021(16) 0.5327(3) 0.15961(7) 0.0290(6) Uani 1 1 d .
H27A H 0.6429 0.6158 0.1571 0.035 Uiso 1 1 calc R
C28 C 0.57121(15) 0.8033(3) 0.22439(7) 0.0235(5) Uani 1 1 d .
C29 C 0.63433(16) 0.7263(3) 0.24646(8) 0.0309(6) Uani 1 1 d .
H29A H 0.6378 0.6258 0.2437 0.037 Uiso 1 1 calc R
C30 C 0.69233(18) 0.7995(3) 0.27266(9) 0.0414(7) Uani 1 1 d .
H30A H 0.7342 0.7478 0.2876 0.050 Uiso 1 1 calc R
C31 C 0.68784(19) 0.9485(3) 0.27651(9) 0.0444(8) Uani 1 1 d .
H31A H 0.7270 0.9975 0.2939 0.053 Uiso 1 1 calc R
C32 C 0.62511(19) 1.0252(3) 0.25458(9) 0.0431(7) Uani 1 1 d .
H32A H 0.6221 1.1258 0.2573 0.052 Uiso 1 1 calc R
C33 C 0.56711(16) 0.9539(3) 0.22876(8) 0.0323(6) Uani 1 1 d .
H33A H 0.5250 1.0064 0.2142 0.039 Uiso 1 1 calc R
C34 C 0.31108(18) 0.8476(3) 0.04128(7) 0.0303(6) Uani 1 1 d .
C35 C 0.3778(2) 0.8741(3) 0.01720(8) 0.0420(7) Uani 1 1 d .
H35A H 0.4230 0.9310 0.0272 0.050 Uiso 1 1 calc R
C36 C 0.3774(3) 0.8159(4) -0.02174(9) 0.0554(10) Uani 1 1 d .
H36A H 0.4217 0.8355 -0.0378 0.066 Uiso 1 1 calc R
C37 C 0.3120(3) 0.7301(4) -0.03638(9) 0.0617(11) Uani 1 1 d .
H37A H 0.3126 0.6896 -0.0622 0.074 Uiso 1 1 calc R
C38 C 0.2452(3) 0.7033(3) -0.01313(9) 0.0543(10) Uani 1 1 d .
H38A H 0.2005 0.6459 -0.0235 0.065 Uiso 1 1 calc R
C39 C 0.2443(2) 0.7618(3) 0.02582(8) 0.0375(7) Uani 1 1 d .
H39A H 0.1991 0.7434 0.0415 0.045 Uiso 1 1 calc R
C40 C 0.29441(16) 1.1168(3) 0.08498(8) 0.0263(5) Uani 1 1 d .
C41 C 0.27613(19) 1.1801(3) 0.04731(9) 0.0394(7) Uani 1 1 d .
H41A H 0.2747 1.1230 0.0240 0.047 Uiso 1 1 calc R
C42 C 0.2599(2) 1.3281(3) 0.04410(10) 0.0483(8) Uani 1 1 d .
H42A H 0.2482 1.3699 0.0186 0.058 Uiso 1 1 calc R
C43 C 0.26091(19) 1.4137(3) 0.07856(11) 0.0477(8) Uani 1 1 d .
H43A H 0.2490 1.5126 0.0764 0.057 Uiso 1 1 calc R
C44 C 0.2796(2) 1.3518(3) 0.11601(11) 0.0490(8) Uani 1 1 d .
H44A H 0.2810 1.4095 0.1392 0.059 Uiso 1 1 calc R
C45 C 0.29647(19) 1.2039(3) 0.11957(9) 0.0395(7) Uani 1 1 d .
H45A H 0.3092 1.1631 0.1451 0.047 Uiso 1 1 calc R
C46 C 0.5001(4) -0.0917(5) 0.39218(17) 0.0987(18) Uani 1 1 d .
H46A H 0.4643 -0.1627 0.3806 0.118 Uiso 1 1 calc R
C47 C 0.5707(5) -0.0527(7) 0.37417(16) 0.107(2) Uani 1 1 d .
H47A H 0.5828 -0.0971 0.3499 0.129 Uiso 1 1 calc R
C48 C 0.6243(3) 0.0501(7) 0.3908(2) 0.1065(19) Uani 1 1 d .
H48A H 0.6730 0.0750 0.3785 0.128 Uiso 1 1 calc R
C49 C 0.6051(4) 0.1159(6) 0.4262(2) 0.0983(16) Uani 1 1 d .
H49A H 0.6407 0.1872 0.4379 0.118 Uiso 1 1 calc R
C50 C 0.5350(4) 0.0779(6) 0.44420(15) 0.0923(15) Uani 1 1 d .
H50A H 0.5225 0.1228 0.4683 0.111 Uiso 1 1 calc R
C51 C 0.4825(3) -0.0252(6) 0.42739(16) 0.0907(15) Uani 1 1 d .
H51A H 0.4343 -0.0507 0.4400 0.109 Uiso 1 1 calc R
C52 C 0.6239(2) 0.4398(4) 0.31819(11) 0.0570(9) Uani 1 1 d .
H52A H 0.5850 0.4159 0.2968 0.068 Uiso 1 1 calc R
C53 C 0.7010(3) 0.3767(4) 0.32116(12) 0.0640(10) Uani 1 1 d .
H53A H 0.7151 0.3093 0.3017 0.077 Uiso 1 1 calc R
C54 C 0.7582(2) 0.4118(4) 0.35262(13) 0.0701(12) Uani 1 1 d .
H54A H 0.8117 0.3705 0.3540 0.084 Uiso 1 1 calc R
C55 C 0.7370(2) 0.5079(4) 0.38212(11) 0.0574(9) Uani 1 1 d .
H55A H 0.7750 0.5273 0.4043 0.069 Uiso 1 1 calc R
C56 C 0.6603(2) 0.5747(4) 0.37895(10) 0.0546(9) Uani 1 1 d .
H56A H 0.6464 0.6433 0.3981 0.065 Uiso 1 1 calc R
C57 C 0.6037(2) 0.5391(4) 0.34690(12) 0.0629(10) Uani 1 1 d .
H57A H 0.5509 0.5832 0.3447 0.076 Uiso 1 1 calc R
C58 C 0.9722(3) 0.1013(4) 0.02695(12) 0.0648(10) Uani 1 1 d .
H58A H 0.9536 0.1695 0.0451 0.078 Uiso 1 1 calc R
C59 C 1.0521(2) 0.1127(4) 0.01321(11) 0.0604(10) Uani 1 1 d .
H59A H 1.0874 0.1888 0.0221 0.073 Uiso 1 1 calc R
C60 C 0.9207(3) -0.0108(4) 0.01370(12) 0.0651(10) Uani 1 1 d .
H60A H 0.8670 -0.0185 0.0229 0.078 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'
F F 0.0171 0.0103 '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'
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
C1 Pd1 F1 173.24(8) . .
C1 Pd1 P1 91.59(7) . .
F1 Pd1 P1 88.38(4) . .
C1 Pd1 P2 93.34(7) . .
F1 Pd1 P2 89.94(4) . .
P1 Pd1 P2 150.98(2) . .
C28 P1 C22 106.19(11) . .
C28 P1 C8 104.17(11) . .
C22 P1 C8 103.66(11) . .
C28 P1 Pd1 117.78(8) . .
C22 P1 Pd1 118.39(8) . .
C8 P1 Pd1 104.78(8) . .
C34 P2 C40 104.12(11) . .
C34 P2 C18 105.54(12) . .
C40 P2 C18 102.10(11) . .
C34 P2 Pd1 120.19(9) . .
C40 P2 Pd1 117.89(8) . .
C18 P2 Pd1 104.93(8) . .
C19 O1 C7 118.23(18) . .
C6 C1 C2 118.0(2) . .
C6 C1 Pd1 124.6(2) . .
C2 C1 Pd1 117.35(19) . .
C3 C2 C1 120.6(3) . .
C4 C3 C2 120.5(3) . .
C5 C4 C3 119.4(3) . .
C4 C5 C6 120.9(3) . .
C1 C6 C5 120.6(3) . .
O1 C7 C12 120.3(2) . .
O1 C7 C8 116.8(2) . .
C12 C7 C8 122.8(2) . .
C7 C8 C9 117.7(2) . .
C7 C8 P1 122.01(18) . .
C9 C8 P1 120.27(18) . .
C10 C9 C8 120.6(2) . .
C9 C10 C11 120.3(2) . .
C10 C11 C12 121.0(2) . .
C7 C12 C11 117.6(2) . .
C7 C12 C13 121.3(2) . .
C11 C12 C13 121.1(2) . .
C12 C13 C14 110.09(19) . .
C12 C13 C20 108.9(2) . .
C14 C13 C20 110.6(2) . .
C12 C13 C21 109.0(2) . .
C14 C13 C21 109.5(2) . .
C20 C13 C21 108.7(2) . .
C19 C14 C15 117.1(2) . .
C19 C14 C13 121.4(2) . .
C15 C14 C13 121.5(2) . .
C16 C15 C14 121.8(2) . .
C17 C16 C15 119.6(2) . .
C16 C17 C18 121.2(2) . .
C17 C18 C19 117.0(2) . .
C17 C18 P2 118.45(19) . .
C19 C18 P2 124.48(18) . .
C14 C19 O1 119.9(2) . .
C14 C19 C18 123.0(2) . .
O1 C19 C18 117.0(2) . .
C23 C22 C27 118.9(2) . .
C23 C22 P1 121.12(19) . .
C27 C22 P1 119.74(19) . .
C22 C23 C24 120.7(3) . .
C25 C24 C23 119.9(3) . .
C26 C25 C24 119.8(3) . .
C25 C26 C27 120.6(3) . .
C26 C27 C22 120.2(3) . .
C29 C28 C33 119.3(2) . .
C29 C28 P1 124.37(19) . .
C33 C28 P1 116.35(19) . .
C28 C29 C30 120.0(3) . .
C31 C30 C29 120.1(3) . .
C30 C31 C32 119.9(3) . .
C33 C32 C31 120.5(3) . .
C32 C33 C28 120.2(3) . .
C39 C34 C35 119.0(3) . .
C39 C34 P2 123.7(2) . .
C35 C34 P2 117.3(2) . .
C36 C35 C34 120.4(3) . .
C37 C36 C35 120.1(3) . .
C36 C37 C38 120.4(3) . .
C37 C38 C39 120.3(3) . .
C34 C39 C38 119.8(3) . .
C41 C40 C45 119.0(2) . .
C41 C40 P2 124.1(2) . .
C45 C40 P2 116.91(19) . .
C40 C41 C42 120.4(3) . .
C43 C42 C41 120.3(3) . .
C44 C43 C42 119.5(3) . .
C43 C44 C45 120.6(3) . .
C44 C45 C40 120.1(3) . .
C47 C46 C51 118.9(5) . .
C46 C47 C48 121.4(5) . .
C47 C48 C49 118.6(6) . .
C50 C49 C48 120.3(6) . .
C49 C50 C51 120.4(5) . .
C50 C51 C46 120.4(5) . .
C53 C52 C57 119.5(3) . .
C52 C53 C54 120.2(4) . .
C53 C54 C55 120.3(3) . .
C56 C55 C54 120.0(3) . .
C55 C56 C57 118.9(3) . .
C52 C57 C56 121.0(3) . .
C60 C58 C59 119.7(4) . .
C60 C59 C58 119.8(4) 3_755 .
C58 C60 C59 120.5(4) . 3_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C1 1.984(2) .
Pd1 F1 2.0755(13) .
Pd1 P1 2.2998(6) .
Pd1 P2 2.3061(7) .
P1 C28 1.821(2) .
P1 C22 1.824(2) .
P1 C8 1.828(2) .
P2 C34 1.828(3) .
P2 C40 1.829(2) .
P2 C18 1.832(3) .
O1 C19 1.389(3) .
O1 C7 1.389(3) .
C1 C6 1.384(3) .
C1 C2 1.395(3) .
C2 C3 1.385(4) .
C3 C4 1.374(5) .
C4 C5 1.364(4) .
C5 C6 1.388(4) .
C7 C12 1.391(3) .
C7 C8 1.396(3) .
C8 C9 1.401(3) .
C9 C10 1.383(3) .
C10 C11 1.384(4) .
C11 C12 1.398(3) .
C12 C13 1.526(3) .
C13 C14 1.533(3) .
C13 C20 1.537(3) .
C13 C21 1.540(3) .
C14 C19 1.384(3) .
C14 C15 1.390(3) .
C15 C16 1.383(4) .
C16 C17 1.379(4) .
C17 C18 1.394(3) .
C18 C19 1.408(3) .
C22 C23 1.385(3) .
C22 C27 1.391(3) .
C23 C24 1.390(4) .
C24 C25 1.378(4) .
C25 C26 1.378(4) .
C26 C27 1.384(4) .
C28 C29 1.390(3) .
C28 C33 1.393(3) .
C29 C30 1.391(4) .
C30 C31 1.377(4) .
C31 C32 1.382(4) .
C32 C33 1.375(4) .
C34 C39 1.390(4) .
C34 C35 1.392(4) .
C35 C36 1.390(4) .
C36 C37 1.364(5) .
C37 C38 1.377(5) .
C38 C39 1.393(4) .
C40 C41 1.383(4) .
C40 C45 1.392(4) .
C41 C42 1.387(4) .
C42 C43 1.381(5) .
C43 C44 1.372(4) .
C44 C45 1.388(4) .
C46 C47 1.356(7) .
C46 C51 1.359(7) .
C47 C48 1.361(8) .
C48 C49 1.367(7) .
C49 C50 1.348(7) .
C50 C51 1.354(7) .
C52 C53 1.353(5) .
C52 C57 1.370(5) .
C53 C54 1.368(5) .
C54 C55 1.373(5) .
C55 C56 1.364(5) .
C56 C57 1.377(5) .
C58 C60 1.367(5) .
C58 C59 1.384(5) .
C59 C60 1.380(5) 3_755
C60 C59 1.381(5) 3_755
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_4
C1 Pd1 P1 C28 109.42(12) .
F1 Pd1 P1 C28 -63.82(10) .
P2 Pd1 P1 C28 -150.78(9) .
C1 Pd1 P1 C22 -20.57(12) .
F1 Pd1 P1 C22 166.19(10) .
P2 Pd1 P1 C22 79.23(10) .
C1 Pd1 P1 C8 -135.42(11) .
F1 Pd1 P1 C8 51.34(9) .
P2 Pd1 P1 C8 -35.62(9) .
C1 Pd1 P2 C34 6.41(13) .
F1 Pd1 P2 C34 -179.50(11) .
P1 Pd1 P2 C34 -92.95(11) .
C1 Pd1 P2 C40 -122.44(12) .
F1 Pd1 P2 C40 51.65(10) .
P1 Pd1 P2 C40 138.21(10) .
C1 Pd1 P2 C18 124.82(11) .
F1 Pd1 P2 C18 -61.09(9) .
P1 Pd1 P2 C18 25.47(10) .
F1 Pd1 C1 C6 163.6(5) .
P1 Pd1 C1 C6 74.0(2) .
P2 Pd1 C1 C6 -77.4(2) .
F1 Pd1 C1 C2 -15.6(8) .
P1 Pd1 C1 C2 -105.23(19) .
P2 Pd1 C1 C2 103.38(19) .
C6 C1 C2 C3 -0.2(4) .
Pd1 C1 C2 C3 179.1(2) .
C1 C2 C3 C4 -0.2(5) .
C2 C3 C4 C5 0.6(5) .
C3 C4 C5 C6 -0.7(5) .
C2 C1 C6 C5 0.1(4) .
Pd1 C1 C6 C5 -179.1(2) .
C4 C5 C6 C1 0.3(4) .
C19 O1 C7 C12 27.2(3) .
C19 O1 C7 C8 -155.1(2) .
O1 C7 C8 C9 -177.45(19) .
C12 C7 C8 C9 0.2(3) .
O1 C7 C8 P1 2.6(3) .
C12 C7 C8 P1 -179.75(17) .
C28 P1 C8 C7 148.70(19) .
C22 P1 C8 C7 -100.38(19) .
Pd1 P1 C8 C7 24.4(2) .
C28 P1 C8 C9 -31.2(2) .
C22 P1 C8 C9 79.7(2) .
Pd1 P1 C8 C9 -155.55(17) .
C7 C8 C9 C10 1.3(3) .
P1 C8 C9 C10 -178.76(18) .
C8 C9 C10 C11 -1.2(4) .
C9 C10 C11 C12 -0.4(4) .
O1 C7 C12 C11 175.8(2) .
C8 C7 C12 C11 -1.7(3) .
O1 C7 C12 C13 -1.8(3) .
C8 C7 C12 C13 -179.4(2) .
C10 C11 C12 C7 1.9(3) .
C10 C11 C12 C13 179.5(2) .
C7 C12 C13 C14 -17.3(3) .
C11 C12 C13 C14 165.1(2) .
C7 C12 C13 C20 104.0(3) .
C11 C12 C13 C20 -73.5(3) .
C7 C12 C13 C21 -137.5(2) .
C11 C12 C13 C21 44.9(3) .
C12 C13 C14 C19 13.4(3) .
C20 C13 C14 C19 -106.9(3) .
C21 C13 C14 C19 133.3(2) .
C12 C13 C14 C15 -165.4(2) .
C20 C13 C14 C15 74.2(3) .
C21 C13 C14 C15 -45.6(3) .
C19 C14 C15 C16 -3.1(4) .
C13 C14 C15 C16 175.8(2) .
C14 C15 C16 C17 -2.1(4) .
C15 C16 C17 C18 4.5(4) .
C16 C17 C18 C19 -1.6(4) .
C16 C17 C18 P2 -178.8(2) .
C34 P2 C18 C17 -65.2(2) .
C40 P2 C18 C17 43.4(2) .
Pd1 P2 C18 C17 166.89(18) .
C34 P2 C18 C19 117.7(2) .
C40 P2 C18 C19 -133.7(2) .
Pd1 P2 C18 C19 -10.2(2) .
C15 C14 C19 O1 -171.3(2) .
C13 C14 C19 O1 9.8(3) .
C15 C14 C19 C18 6.2(4) .
C13 C14 C19 C18 -172.7(2) .
C7 O1 C19 C14 -31.3(3) .
C7 O1 C19 C18 151.1(2) .
C17 C18 C19 C14 -4.0(4) .
P2 C18 C19 C14 173.15(19) .
C17 C18 C19 O1 173.6(2) .
P2 C18 C19 O1 -9.3(3) .
C28 P1 C22 C23 129.7(2) .
C8 P1 C22 C23 20.3(2) .
Pd1 P1 C22 C23 -95.2(2) .
C28 P1 C22 C27 -56.6(2) .
C8 P1 C22 C27 -166.05(19) .
Pd1 P1 C22 C27 78.5(2) .
C27 C22 C23 C24 0.0(4) .
P1 C22 C23 C24 173.7(2) .
C22 C23 C24 C25 1.1(4) .
C23 C24 C25 C26 -0.7(4) .
C24 C25 C26 C27 -0.7(4) .
C25 C26 C27 C22 1.8(4) .
C23 C22 C27 C26 -1.4(4) .
P1 C22 C27 C26 -175.2(2) .
C22 P1 C28 C29 -19.4(3) .
C8 P1 C28 C29 89.7(2) .
Pd1 P1 C28 C29 -154.79(19) .
C22 P1 C28 C33 160.5(2) .
C8 P1 C28 C33 -90.4(2) .
Pd1 P1 C28 C33 25.1(2) .
C33 C28 C29 C30 0.2(4) .
P1 C28 C29 C30 -179.9(2) .
C28 C29 C30 C31 -0.6(4) .
C29 C30 C31 C32 0.6(5) .
C30 C31 C32 C33 -0.2(5) .
C31 C32 C33 C28 -0.2(4) .
C29 C28 C33 C32 0.2(4) .
P1 C28 C33 C32 -179.7(2) .
C40 P2 C34 C39 -105.5(2) .
C18 P2 C34 C39 1.6(2) .
Pd1 P2 C34 C39 119.8(2) .
C40 P2 C34 C35 76.8(2) .
C18 P2 C34 C35 -176.1(2) .
Pd1 P2 C34 C35 -58.0(2) .
C39 C34 C35 C36 0.2(4) .
P2 C34 C35 C36 178.1(2) .
C34 C35 C36 C37 -1.2(5) .
C35 C36 C37 C38 1.5(5) .
C36 C37 C38 C39 -0.9(5) .
C35 C34 C39 C38 0.3(4) .
P2 C34 C39 C38 -177.4(2) .
C37 C38 C39 C34 0.0(4) .
C34 P2 C40 C41 -0.8(3) .
C18 P2 C40 C41 -110.4(2) .
Pd1 P2 C40 C41 135.3(2) .
C34 P2 C40 C45 -179.3(2) .
C18 P2 C40 C45 71.0(2) .
Pd1 P2 C40 C45 -43.3(2) .
C45 C40 C41 C42 -0.2(4) .
P2 C40 C41 C42 -178.7(2) .
C40 C41 C42 C43 -0.7(5) .
C41 C42 C43 C44 1.1(5) .
C42 C43 C44 C45 -0.8(5) .
C43 C44 C45 C40 -0.1(5) .
C41 C40 C45 C44 0.6(4) .
P2 C40 C45 C44 179.2(2) .
C51 C46 C47 C48 0.6(8) .
C46 C47 C48 C49 -0.9(8) .
C47 C48 C49 C50 0.8(8) .
C48 C49 C50 C51 -0.3(8) .
C49 C50 C51 C46 0.0(7) .
C47 C46 C51 C50 -0.2(7) .
C57 C52 C53 C54 0.1(6) .
C52 C53 C54 C55 2.0(6) .
C53 C54 C55 C56 -3.6(6) .
C54 C55 C56 C57 3.0(6) .
C53 C52 C57 C56 -0.6(6) .
C55 C56 C57 C52 -0.9(6) .
C60 C58 C59 C60 -0.1(6) 3_755
C59 C58 C60 C59 0.1(6) 3_755
