#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:22:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179787 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/83/7008392.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_7008392
loop_
_publ_author_name
'Tuba, Róbert'
'Tesevic, Verona'
'Dinh, Long V.'
'Hampel, Frank'
'Gladysz, J. A.'
_publ_section_title
;
 Synthesis, structure, and reactivity of fluorous
 phosphorus/carbon/phosphorus pincer ligands and metal complexes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2275
_journal_page_last               2283
_journal_paper_doi               10.1039/b502309b
_journal_year                    2005
_chemical_formula_sum            'C50 H23 F71 O2 P2 Pd'
_chemical_formula_weight         2173.02
_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                 115.522(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.2920(9)
_cell_length_b                   19.3960(11)
_cell_length_c                   20.5830(11)
_cell_measurement_reflns_used    12378
_cell_measurement_temperature    173(2)
_cell_volume                     6950.4(7)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL NT'
_computing_publication_material  'SHELXTL NT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0616
_diffrn_reflns_av_sigmaI/netI    0.0828
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            23414
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    0.546
_exptl_absorpt_correction_T_max  0.8986
_exptl_absorpt_correction_T_min  0.8755
_exptl_absorpt_correction_type   'empirical (Scalepack)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.077
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4216
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.764
_refine_diff_density_min         -1.096
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1135
_refine_ls_number_reflns         12099
_refine_ls_number_restraints     67
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1731
_refine_ls_R_factor_gt           0.1124
_refine_ls_shift/su_max          1.318
_refine_ls_shift/su_mean         0.051
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1800P)²+39.9702P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2973
_refine_ls_wR_factor_ref         0.3413
_reflns_number_gt                6854
_reflns_number_total             12099
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b502309b.txt
_cod_data_source_block           vt02
_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_original_cell_volume        6950.3(6)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7008392
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.09548(5) 0.11176(4) 0.17664(5) 0.0474(3) Uani 1 1 d . . .
P1 P 0.12263(16) 0.00743(15) 0.23255(16) 0.0482(7) Uani 1 1 d . . .
O1 O 0.1933(5) 0.1546(5) 0.2629(6) 0.084(3) Uani 1 1 d . . .
C1 C 0.2041(9) 0.2118(13) 0.2741(9) 0.093(5) Uani 1 1 d . . .
F1 F 0.2875(10) 0.2101(14) 0.4054(11) 0.245(11) Uani 1 1 d . . .
P2 P 0.04125(19) 0.20606(16) 0.10506(19) 0.0596(8) Uani 1 1 d . . .
O2 O 0.1634(11) 0.2644(8) 0.2456(9) 0.145(6) Uani 1 1 d . . .
C2 C 0.2885(13) 0.2254(16) 0.3439(15) 0.152(12) Uani 1 1 d . . .
F2 F 0.2955(12) 0.2889(8) 0.3427(16) 0.35(2) Uani 1 1 d . . .
F3 F 0.3408(8) 0.1886(9) 0.3508(11) 0.189(7) Uani 1 1 d . . .
C11 C 0.0085(6) 0.0603(6) 0.0997(6) 0.046(2) Uani 1 1 d . . .
C12A C 0.0606(6) -0.0516(6) 0.1634(6) 0.054(3) Uani 1 1 d . . .
H12A H 0.0906 -0.0766 0.1421 0.065 Uiso 1 1 calc R . .
H12B H 0.0381 -0.0858 0.1845 0.065 Uiso 1 1 calc R . .
C12 C -0.0021(6) -0.0100(6) 0.1062(6) 0.052(3) Uani 1 1 d . . .
C13 C -0.0687(6) -0.0438(7) 0.0593(6) 0.056(3) Uani 1 1 d . . .
H13A H -0.0755 -0.0916 0.0650 0.067 Uiso 1 1 calc R . .
C14 C -0.1246(7) -0.0066(7) 0.0045(6) 0.060(3) Uani 1 1 d . . .
H14A H -0.1716 -0.0282 -0.0259 0.072 Uiso 1 1 calc R . .
C15 C -0.1128(7) 0.0618(8) -0.0065(6) 0.062(3) Uani 1 1 d . . .
H15A H -0.1502 0.0859 -0.0464 0.075 Uiso 1 1 calc R . .
C16 C -0.0475(6) 0.0954(6) 0.0395(6) 0.054(3) Uani 1 1 d . . .
C16A C -0.0284(7) 0.1670(6) 0.0218(7) 0.063(3) Uani 1 1 d . . .
H16A H -0.0755 0.1956 0.0009 0.076 Uiso 1 1 calc R . .
H16B H -0.0066 0.1639 -0.0137 0.076 Uiso 1 1 calc R . .
C21 C 0.2223(6) -0.0226(7) 0.2668(6) 0.057(3) Uani 1 1 d . . .
H21A H 0.2541 0.0025 0.3117 0.068 Uiso 1 1 calc R . .
H21B H 0.2243 -0.0723 0.2785 0.068 Uiso 1 1 calc R . .
C22 C 0.2548(6) -0.0120(9) 0.2142(7) 0.077(4) Uani 1 1 d . . .
H22A H 0.2302 -0.0458 0.1747 0.093 Uiso 1 1 calc R . .
H22B H 0.2392 0.0345 0.1930 0.093 Uiso 1 1 calc R . .
C23 C 0.3380(6) -0.0178(6) 0.2392(7) 0.054(3) Uani 1 1 d . . .
F23B F 0.3682(7) -0.0681(8) 0.2817(8) 0.173(7) Uani 1 1 d . . .
F23A F 0.3680(7) 0.0337(10) 0.2868(8) 0.195(8) Uani 1 1 d . . .
C24 C 0.3698(6) -0.0097(7) 0.1852(7) 0.058(3) Uani 1 1 d . . .
F24B F 0.3430(7) 0.0465(9) 0.1509(9) 0.204(9) Uani 1 1 d . . .
F24A F 0.3383(6) -0.0554(11) 0.1363(7) 0.203(9) Uani 1 1 d . . .
C25 C 0.4567(6) -0.0128(6) 0.2076(7) 0.054(3) Uani 1 1 d . . .
F25B F 0.4798(5) -0.0734(5) 0.2380(6) 0.118(4) Uani 1 1 d . . .
F25A F 0.4919(5) 0.0321(6) 0.2610(5) 0.114(4) Uani 1 1 d . . .
C26 C 0.4841(6) -0.0032(6) 0.1497(6) 0.048(2) Uani 1 1 d . . .
F26B F 0.4483(4) -0.0464(4) 0.0965(4) 0.077(2) Uani 1 1 d . . .
F26A F 0.4608(4) 0.0620(4) 0.1213(4) 0.078(2) Uani 1 1 d . . .
C27 C 0.5714(6) -0.0072(6) 0.1727(6) 0.051(3) Uani 1 1 d . . .
F27B F 0.6067(4) 0.0382(4) 0.2254(4) 0.0672(19) Uani 1 1 d . . .
F27A F 0.5937(4) -0.0709(3) 0.2007(4) 0.0666(19) Uani 1 1 d . . .
C28 C 0.5996(6) 0.0011(6) 0.1146(6) 0.050(3) Uani 1 1 d . . .
F28B F 0.5642(4) -0.0438(3) 0.0607(3) 0.0593(16) Uani 1 1 d . . .
F28A F 0.5762(4) 0.0664(3) 0.0848(4) 0.0659(18) Uani 1 1 d . . .
C29 C 0.6849(6) -0.0017(6) 0.1385(6) 0.052(3) Uani 1 1 d . . .
F29B F 0.7207(3) 0.0451(3) 0.1890(3) 0.0568(16) Uani 1 1 d . . .
F29A F 0.7097(4) -0.0657(3) 0.1671(4) 0.0671(18) Uani 1 1 d . . .
C30 C 0.7168(7) 0.0043(7) 0.0805(7) 0.066(3) Uani 1 1 d . . .
F30C F 0.6878(5) -0.0401(4) 0.0292(4) 0.081(2) Uani 1 1 d . . .
F30B F 0.6944(5) 0.0685(4) 0.0481(4) 0.084(2) Uani 1 1 d . . .
F30A F 0.7901(4) 0.0068(5) 0.1104(4) 0.086(2) Uani 1 1 d . . .
C31 C 0.0985(6) -0.0039(7) 0.3087(6) 0.052(3) Uani 1 1 d . . .
H31A H 0.1110 -0.0516 0.3271 0.063 Uiso 1 1 calc R . .
H31B H 0.1301 0.0279 0.3479 0.063 Uiso 1 1 calc R . .
C32 C 0.0139(6) 0.0100(6) 0.2877(6) 0.049(3) Uani 1 1 d . . .
H32A H 0.0019 0.0587 0.2725 0.059 Uiso 1 1 calc R . .
H32B H -0.0180 -0.0197 0.2466 0.059 Uiso 1 1 calc R . .
C33 C -0.0051(6) -0.0042(5) 0.3507(6) 0.042(2) Uani 1 1 d . . .
F33B F 0.0158(4) -0.0685(4) 0.3760(4) 0.070(2) Uani 1 1 d . . .
F33A F 0.0360(4) 0.0399(4) 0.4056(3) 0.0645(18) Uani 1 1 d . . .
C34 C -0.0904(6) 0.0059(5) 0.3335(6) 0.044(2) Uani 1 1 d . . .
F34B F -0.1110(4) 0.0698(3) 0.3103(4) 0.0632(18) Uani 1 1 d . . .
F34A F -0.1318(3) -0.0388(4) 0.2801(3) 0.0587(16) Uani 1 1 d . . .
C35 C -0.1116(6) -0.0092(5) 0.3970(6) 0.046(2) Uani 1 1 d . . .
F35B F -0.0924(4) -0.0713(3) 0.4212(4) 0.0657(19) Uani 1 1 d . . .
F35A F -0.0718(3) 0.0359(4) 0.4507(3) 0.0596(17) Uani 1 1 d . . .
C36 C -0.1979(6) 0.0024(5) 0.3805(6) 0.044(2) Uani 1 1 d . . .
F36B F -0.2199(4) 0.0661(3) 0.3561(4) 0.0643(18) Uani 1 1 d . . .
F36A F -0.2405(4) -0.0412(4) 0.3260(3) 0.0608(17) Uani 1 1 d . . .
C37 C -0.2207(6) -0.0128(5) 0.4427(5) 0.042(2) Uani 1 1 d . . .
F37B F -0.1994(4) -0.0765(3) 0.4661(4) 0.0649(19) Uani 1 1 d . . .
F37A F -0.1772(4) 0.0314(4) 0.4985(4) 0.070(2) Uani 1 1 d . . .
C38 C -0.3041(6) -0.0010(5) 0.4277(6) 0.047(2) Uani 1 1 d . . .
F38B F -0.3236(4) 0.0636(4) 0.4070(5) 0.079(2) Uani 1 1 d . . .
F38A F -0.3478(4) -0.0405(5) 0.3730(4) 0.085(2) Uani 1 1 d . . .
C39 C -0.3255(7) -0.0189(9) 0.4898(7) 0.072(4) Uani 1 1 d . . .
F39B F -0.3050(8) -0.0798(7) 0.5117(9) 0.198(9) Uani 1 1 d . . .
F39A F -0.2845(6) 0.0291(10) 0.5431(6) 0.180(7) Uani 1 1 d . . .
C40 C -0.4048(9) -0.0071(8) 0.4808(9) 0.077(4) Uani 1 1 d . . .
F40C F -0.4320(8) 0.0521(8) 0.4556(10) 0.187(8) Uani 1 1 d . . .
F40B F -0.4526(8) -0.0433(12) 0.4283(8) 0.218(10) Uani 1 1 d . . .
F40A F -0.4172(5) -0.0224(7) 0.5350(5) 0.127(4) Uani 1 1 d . . .
C41 C 0.1014(7) 0.2638(6) 0.0809(8) 0.066(3) Uani 1 1 d D . .
H41A H 0.0693 0.2868 0.0347 0.079 Uiso 1 1 calc R . .
H41B H 0.1233 0.2999 0.1182 0.079 Uiso 1 1 calc R . .
C42 C 0.1651(7) 0.2258(6) 0.0739(7) 0.068(3) Uani 1 1 d D . .
H42A H 0.1422 0.1899 0.0365 0.082 Uiso 1 1 calc R . .
H42B H 0.1954 0.2018 0.1200 0.082 Uiso 1 1 calc R . .
C43 C 0.2189(7) 0.2678(6) 0.0555(7) 0.061(3) Uani 1 1 d D . .
F43B F 0.1770(5) 0.3063(4) -0.0043(6) 0.103(3) Uani 1 1 d . . .
F43A F 0.2515(6) 0.3140(5) 0.1077(6) 0.109(3) Uani 1 1 d . . .
C44 C 0.2776(6) 0.2295(6) 0.0403(7) 0.060(3) Uani 1 1 d D . .
F44B F 0.2453(5) 0.1813(5) -0.0066(7) 0.122(4) Uani 1 1 d . . .
F44A F 0.3219(6) 0.1931(6) 0.1016(6) 0.124(4) Uani 1 1 d . . .
C45 C 0.3320(7) 0.2701(6) 0.0200(7) 0.065(3) Uani 1 1 d D . .
F45A F 0.2914(8) 0.3048(8) -0.0375(11) 0.204(9) Uani 1 1 d . . .
F45B F 0.3631(11) 0.3174(9) 0.0639(11) 0.223(10) Uani 1 1 d . . .
C46 C 0.3886(7) 0.2346(6) 0.0002(8) 0.076(4) Uani 1 1 d D . .
F46B F 0.4114(12) 0.1752(9) 0.0333(13) 0.233(12) Uani 1 1 d D . .
F46A F 0.3526(12) 0.1921(14) -0.0550(16) 0.35(2) Uani 1 1 d D . .
C47 C 0.4435(7) 0.2660(6) -0.0213(8) 0.083(4) Uani 1 1 d D . .
F47A F 0.4086(10) 0.3206(7) -0.0629(12) 0.212(9) Uani 1 1 d D . .
F47B F 0.4777(13) 0.3150(11) 0.0289(12) 0.240(11) Uani 1 1 d D . .
C48 C 0.4983(7) 0.2360(6) -0.0442(7) 0.087(5) Uani 1 1 d D . .
F48B F 0.5292(8) 0.1808(7) 0.0009(8) 0.161(5) Uani 1 1 d D . .
F48A F 0.4622(10) 0.1924(7) -0.1029(9) 0.214(9) Uani 1 1 d D . .
C49 C 0.5514(9) 0.2719(10) -0.0656(9) 0.174(11) Uani 1 1 d D . .
F49B F 0.5093(14) 0.3139(7) -0.1230(9) 0.289(14) Uani 1 1 d D . .
F49A F 0.5927(11) 0.3121(11) -0.0057(11) 0.251(11) Uani 1 1 d D . .
C50 C 0.6062(10) 0.2405(9) -0.0880(11) 0.124(8) Uani 1 1 d D . .
F50C F 0.6446(10) 0.1943(10) -0.0421(12) 0.221(9) Uani 1 1 d D . .
F50B F 0.5694(14) 0.2097(11) -0.1465(9) 0.236(10) Uani 1 1 d D . .
F50A F 0.6555(9) 0.2816(11) -0.0812(15) 0.271(13) Uani 1 1 d D . .
C51 C -0.0168(8) 0.2625(7) 0.1334(8) 0.068(3) Uani 1 1 d . . .
H51A H 0.0175 0.2899 0.1756 0.081 Uiso 1 1 calc R . .
H51B H -0.0460 0.2951 0.0939 0.081 Uiso 1 1 calc R . .
C52 C -0.0706(7) 0.2230(6) 0.1520(7) 0.064(3) Uani 1 1 d . . .
H52A H -0.0965 0.1883 0.1139 0.076 Uiso 1 1 calc R . .
H52B H -0.0411 0.1980 0.1976 0.076 Uiso 1 1 calc R . .
C53 C -0.1301(7) 0.2663(5) 0.1604(6) 0.052(3) Uani 1 1 d . . .
F53B F -0.0987(5) 0.3204(4) 0.2027(6) 0.103(3) Uani 1 1 d . . .
F53A F -0.1757(5) 0.2940(6) 0.0954(6) 0.112(3) Uani 1 1 d . . .
C54 C -0.1818(7) 0.2285(5) 0.1857(6) 0.052(3) Uani 1 1 d . . .
F54B F -0.2184(6) 0.1784(5) 0.1396(7) 0.133(5) Uani 1 1 d . . .
F54A F -0.1376(6) 0.1954(5) 0.2458(6) 0.122(4) Uani 1 1 d . . .
C55 C -0.2401(6) 0.2704(5) 0.2019(6) 0.047(2) Uani 1 1 d . . .
F55B F -0.2040(5) 0.3166(4) 0.2509(5) 0.091(3) Uani 1 1 d . . .
F55A F -0.2845(5) 0.3044(5) 0.1416(5) 0.098(3) Uani 1 1 d . . .
C56 C -0.2931(6) 0.2265(5) 0.2250(6) 0.048(3) Uani 1 1 d . . .
F56B F -0.3390(5) 0.1882(4) 0.1691(5) 0.087(3) Uani 1 1 d . . .
F56A F -0.2517(5) 0.1862(4) 0.2781(5) 0.088(3) Uani 1 1 d . . .
C57 C -0.3476(6) 0.2716(6) 0.2465(6) 0.050(3) Uani 1 1 d . . .
F57B F -0.3888(5) 0.3118(4) 0.1939(5) 0.096(3) Uani 1 1 d . . .
F57A F -0.3055(5) 0.3101(4) 0.3020(5) 0.093(3) Uani 1 1 d . . .
C58 C -0.4042(7) 0.2286(6) 0.2672(7) 0.054(3) Uani 1 1 d . . .
F58B F -0.4510(5) 0.1942(5) 0.2115(5) 0.104(3) Uani 1 1 d . . .
F58A F -0.3640(6) 0.1801(5) 0.3156(6) 0.111(3) Uani 1 1 d . . .
C59 C -0.4507(10) 0.2695(7) 0.2964(10) 0.083(4) Uani 1 1 d . . .
F59B F -0.3987(7) 0.2954(7) 0.3644(7) 0.145(5) Uani 1 1 d . . .
F59A F -0.4820(8) 0.3204(6) 0.2581(9) 0.169(6) Uani 1 1 d . . .
C60 C -0.5092(10) 0.2345(9) 0.3137(10) 0.086(4) Uani 1 1 d . . .
F60A F -0.5321(8) 0.2683(6) 0.3533(8) 0.142(5) Uani 1 1 d . . .
F60C F -0.4853(8) 0.1720(7) 0.3472(9) 0.160(5) Uani 1 1 d . . .
F60B F -0.5623(7) 0.2096(9) 0.2589(8) 0.163(6) 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'
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'
Pd Pd -0.9988 1.0072 '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'
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
C11 Pd1 O1 173.2(4) . . ?
C11 Pd1 P1 83.6(3) . . ?
O1 Pd1 P1 89.9(3) . . ?
C11 Pd1 P2 84.0(3) . . ?
O1 Pd1 P2 102.7(3) . . ?
P1 Pd1 P2 166.98(12) . . ?
C12A P1 C21 109.2(6) . . ?
C12A P1 C31 105.7(5) . . ?
C21 P1 C31 104.2(5) . . ?
C12A P1 Pd1 103.5(4) . . ?
C21 P1 Pd1 116.8(4) . . ?
C31 P1 Pd1 116.8(4) . . ?
C1 O1 Pd1 124.9(13) . . ?
O1 C1 O2 132.1(18) . . ?
O1 C1 C2 111(2) . . ?
O2 C1 C2 117(2) . . ?
C51 P2 C16A 104.0(6) . . ?
C51 P2 C41 105.5(6) . . ?
C16A P2 C41 107.2(6) . . ?
C51 P2 Pd1 116.4(4) . . ?
C16A P2 Pd1 102.7(4) . . ?
C41 P2 Pd1 119.6(4) . . ?
F3 C2 F1 97(3) . . ?
F3 C2 F2 120(2) . . ?
F1 C2 F2 107(2) . . ?
F3 C2 C1 118.0(18) . . ?
F1 C2 C1 112.5(14) . . ?
F2 C2 C1 102(3) . . ?
C12 C11 C16 117.8(10) . . ?
C12 C11 Pd1 121.2(8) . . ?
C16 C11 Pd1 120.9(8) . . ?
C12 C12A P1 108.1(8) . . ?
C11 C12 C13 121.5(11) . . ?
C11 C12 C12A 119.8(10) . . ?
C13 C12 C12A 118.6(11) . . ?
C14 C13 C12 118.8(12) . . ?
C13 C14 C15 120.7(12) . . ?
C16 C15 C14 120.6(12) . . ?
C15 C16 C11 120.2(12) . . ?
C15 C16 C16A 120.8(11) . . ?
C11 C16 C16A 118.4(10) . . ?
C16 C16A P2 108.1(8) . . ?
C22 C21 P1 112.3(8) . . ?
C23 C22 C21 118.5(11) . . ?
F23B C23 F23A 98.2(14) . . ?
F23B C23 C22 114.2(12) . . ?
F23A C23 C22 105.4(11) . . ?
F23B C23 C24 112.2(10) . . ?
F23A C23 C24 106.1(10) . . ?
C22 C23 C24 118.0(11) . . ?
F24A C24 F24B 102.3(15) . . ?
F24A C24 C23 107.7(11) . . ?
F24B C24 C23 107.7(10) . . ?
F24A C24 C25 107.1(10) . . ?
F24B C24 C25 109.1(10) . . ?
C23 C24 C25 121.2(11) . . ?
F25B C25 F25A 104.1(11) . . ?
F25B C25 C26 108.9(9) . . ?
F25A C25 C26 110.1(9) . . ?
F25B C25 C24 106.2(10) . . ?
F25A C25 C24 108.9(9) . . ?
C26 C25 C24 117.8(10) . . ?
F26B C26 F26A 105.8(9) . . ?
F26B C26 C25 110.0(9) . . ?
F26A C26 C25 106.6(9) . . ?
F26B C26 C27 109.7(9) . . ?
F26A C26 C27 106.8(8) . . ?
C25 C26 C27 117.2(9) . . ?
F27B C27 F27A 107.5(9) . . ?
F27B C27 C28 109.7(9) . . ?
F27A C27 C28 106.0(8) . . ?
F27B C27 C26 109.0(8) . . ?
F27A C27 C26 106.4(9) . . ?
C28 C27 C26 117.8(10) . . ?
F28B C28 F28A 105.7(8) . . ?
F28B C28 C29 110.1(9) . . ?
F28A C28 C29 106.2(9) . . ?
F28B C28 C27 110.7(9) . . ?
F28A C28 C27 106.5(9) . . ?
C29 C28 C27 116.9(9) . . ?
F29B C29 F29A 108.5(9) . . ?
F29B C29 C28 111.1(9) . . ?
F29A C29 C28 107.7(9) . . ?
F29B C29 C30 107.7(9) . . ?
F29A C29 C30 102.4(9) . . ?
C28 C29 C30 118.8(10) . . ?
F30A C30 F30C 114.9(11) . . ?
F30A C30 F30B 104.3(10) . . ?
F30C C30 F30B 105.7(11) . . ?
F30A C30 C29 110.6(11) . . ?
F30C C30 C29 113.6(10) . . ?
F30B C30 C29 106.8(10) . . ?
C32 C31 P1 112.0(7) . . ?
C33 C32 C31 110.5(9) . . ?
F33B C33 F33A 106.8(8) . . ?
F33B C33 C32 111.1(9) . . ?
F33A C33 C32 109.1(8) . . ?
F33B C33 C34 108.5(7) . . ?
F33A C33 C34 106.9(8) . . ?
C32 C33 C34 114.1(9) . . ?
F34B C34 F34A 108.9(9) . . ?
F34B C34 C33 109.1(8) . . ?
F34A C34 C33 107.6(8) . . ?
F34B C34 C35 109.3(8) . . ?
F34A C34 C35 106.6(8) . . ?
C33 C34 C35 115.2(9) . . ?
F35B C35 F35A 108.6(9) . . ?
F35B C35 C34 111.2(8) . . ?
F35A C35 C34 107.6(8) . . ?
F35B C35 C36 108.5(8) . . ?
F35A C35 C36 105.0(8) . . ?
C34 C35 C36 115.5(9) . . ?
F36B C36 F36A 106.5(8) . . ?
F36B C36 C37 109.3(8) . . ?
F36A C36 C37 106.1(8) . . ?
F36B C36 C35 110.6(8) . . ?
F36A C36 C35 107.2(8) . . ?
C37 C36 C35 116.6(9) . . ?
F37B C37 F37A 107.0(8) . . ?
F37B C37 C38 110.4(8) . . ?
F37A C37 C38 106.5(8) . . ?
F37B C37 C36 109.0(8) . . ?
F37A C37 C36 106.2(8) . . ?
C38 C37 C36 117.1(8) . . ?
F38A C38 F38B 106.6(9) . . ?
F38A C38 C37 108.4(8) . . ?
F38B C38 C37 109.7(9) . . ?
F38A C38 C39 106.0(10) . . ?
F38B C38 C39 109.8(10) . . ?
C37 C38 C39 115.9(9) . . ?
F39B C39 F39A 111.0(14) . . ?
F39B C39 C40 109.8(13) . . ?
F39A C39 C40 101.5(12) . . ?
F39B C39 C38 110.4(11) . . ?
F39A C39 C38 103.8(11) . . ?
C40 C39 C38 119.6(12) . . ?
F40C C40 F40A 111.6(14) . . ?
F40C C40 F40B 97.4(18) . . ?
F40A C40 F40B 105.7(14) . . ?
F40C C40 C39 114.5(13) . . ?
F40A C40 C39 115.4(14) . . ?
F40B C40 C39 110.5(13) . . ?
C42 C41 P2 111.6(8) . . ?
C41 C42 C43 116.5(11) . . ?
F43A C43 F43B 104.5(10) . . ?
F43A C43 C44 111.5(10) . . ?
F43B C43 C44 106.9(9) . . ?
F43A C43 C42 107.5(10) . . ?
F43B C43 C42 108.8(10) . . ?
C44 C43 C42 117.0(10) . . ?
F44B C44 F44A 102.9(11) . . ?
F44B C44 C43 110.4(10) . . ?
F44A C44 C43 106.9(10) . . ?
F44B C44 C45 109.9(10) . . ?
F44A C44 C45 107.0(10) . . ?
C43 C44 C45 118.5(10) . . ?
F45B C45 F45A 101.1(15) . . ?
F45B C45 C46 111.0(12) . . ?
F45A C45 C46 102.5(11) . . ?
F45B C45 C44 111.1(11) . . ?
F45A C45 C44 107.9(11) . . ?
C46 C45 C44 120.9(10) . . ?
F46B C46 F46A 80.5(17) . . ?
F46B C46 C47 113.7(12) . . ?
F46A C46 C47 100.5(13) . . ?
F46B C46 C45 112.6(11) . . ?
F46A C46 C45 110.2(13) . . ?
C47 C46 C45 127.6(11) . . ?
C46 F46B F46A 50.2(9) . . ?
C46 F46A F46B 49.3(10) . . ?
F47A C47 F47B 83.0(15) . . ?
F47A C47 C48 110.0(11) . . ?
F47B C47 C48 110.2(13) . . ?
F47A C47 C46 107.1(11) . . ?
F47B C47 C46 104.1(12) . . ?
C48 C47 C46 131.5(11) . . ?
C47 F47A F47B 48.5(9) . . ?
C47 F47B F47A 48.4(8) . . ?
F48B C48 F48A 91.2(12) . . ?
F48B C48 C47 105.0(11) . . ?
F48A C48 C47 111.3(13) . . ?
F48B C48 C49 114.8(13) . . ?
F48A C48 C49 100.5(13) . . ?
C47 C48 C49 127.9(13) . . ?
F49A C49 F49B 109(2) . . ?
F49A C49 C48 102.1(13) . . ?
F49B C49 C48 108.1(16) . . ?
F49A C49 C50 107.5(14) . . ?
F49B C49 C50 102.5(16) . . ?
C48 C49 C50 126.8(17) . . ?
F50A C50 F50B 121(3) . . ?
F50A C50 F50C 101.6(18) . . ?
F50B C50 F50C 106.4(18) . . ?
F50A C50 C49 109.4(18) . . ?
F50B C50 C49 108.4(15) . . ?
F50C C50 C49 109.1(18) . . ?
C52 C51 P2 111.6(9) . . ?
C53 C52 C51 113.7(11) . . ?
F53B C53 F53A 104.6(10) . . ?
F53B C53 C52 111.3(10) . . ?
F53A C53 C52 108.2(10) . . ?
F53B C53 C54 109.9(9) . . ?
F53A C53 C54 106.9(10) . . ?
C52 C53 C54 115.2(9) . . ?
F54A C54 F54B 104.0(11) . . ?
F54A C54 C53 107.8(10) . . ?
F54B C54 C53 109.7(10) . . ?
F54A C54 C55 106.8(9) . . ?
F54B C54 C55 109.2(9) . . ?
C53 C54 C55 118.4(9) . . ?
F55B C55 F55A 107.0(10) . . ?
F55B C55 C54 109.6(9) . . ?
F55A C55 C54 107.2(9) . . ?
F55B C55 C56 110.0(9) . . ?
F55A C55 C56 108.1(9) . . ?
C54 C55 C56 114.7(9) . . ?
F56A C56 F56B 109.1(10) . . ?
F56A C56 C55 109.8(9) . . ?
F56B C56 C55 108.7(9) . . ?
F56A C56 C57 110.0(9) . . ?
F56B C56 C57 106.1(9) . . ?
C55 C56 C57 113.0(9) . . ?
F57B C57 F57A 108.2(10) . . ?
F57B C57 C58 107.3(9) . . ?
F57A C57 C58 108.0(9) . . ?
F57B C57 C56 110.2(9) . . ?
F57A C57 C56 108.9(9) . . ?
C58 C57 C56 114.0(9) . . ?
F58B C58 F58A 104.8(11) . . ?
F58B C58 C59 108.4(11) . . ?
F58A C58 C59 108.9(11) . . ?
F58B C58 C57 109.6(10) . . ?
F58A C58 C57 109.0(9) . . ?
C59 C58 C57 115.6(10) . . ?
F59A C59 F59B 106.7(14) . . ?
F59A C59 C58 112.1(14) . . ?
F59B C59 C58 106.9(13) . . ?
F59A C59 C60 107.6(15) . . ?
F59B C59 C60 102.3(13) . . ?
C58 C59 C60 120.1(12) . . ?
F60B C60 F60A 113.8(15) . . ?
F60B C60 F60C 94.5(15) . . ?
F60A C60 F60C 105.6(16) . . ?
F60B C60 C59 112.0(16) . . ?
F60A C60 C59 115.5(14) . . ?
F60C C60 C59 113.5(14) . . ?
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 C11 2.008(11) . ?
Pd1 O1 2.126(9) . ?
Pd1 P1 2.275(3) . ?
Pd1 P2 2.298(3) . ?
P1 C12A 1.817(12) . ?
P1 C21 1.834(11) . ?
P1 C31 1.830(10) . ?
O1 C1 1.13(2) . ?
C1 O2 1.27(2) . ?
C1 C2 1.66(3) . ?
F1 C2 1.31(3) . ?
P2 C51 1.832(13) . ?
P2 C16A 1.825(13) . ?
P2 C41 1.829(12) . ?
C2 F3 1.19(3) . ?
C2 F2 1.24(3) . ?
C11 C12 1.393(16) . ?
C11 C16 1.417(15) . ?
C12A C12 1.508(16) . ?
C12 C13 1.394(15) . ?
C13 C14 1.382(17) . ?
C14 C15 1.382(18) . ?
C15 C16 1.370(16) . ?
C16 C16A 1.522(17) . ?
C21 C22 1.481(15) . ?
C22 C23 1.462(15) . ?
C23 F23B 1.271(14) . ?
C23 F23A 1.342(16) . ?
C23 C24 1.492(16) . ?
C24 F24A 1.282(16) . ?
C24 F24B 1.279(16) . ?
C24 C25 1.538(15) . ?
C25 F25B 1.316(14) . ?
C25 F25A 1.335(14) . ?
C25 C26 1.509(15) . ?
C26 F26B 1.315(12) . ?
C26 F26A 1.384(12) . ?
C26 C27 1.542(15) . ?
C27 F27B 1.334(13) . ?
C27 F27A 1.353(12) . ?
C27 C28 1.521(15) . ?
C28 F28B 1.343(12) . ?
C28 F28A 1.395(13) . ?
C28 C29 1.502(15) . ?
C29 F29B 1.326(12) . ?
C29 F29A 1.370(13) . ?
C29 C30 1.566(16) . ?
C30 F30A 1.277(14) . ?
C30 F30C 1.288(14) . ?
C30 F30B 1.390(16) . ?
C31 C32 1.521(14) . ?
C32 C33 1.516(14) . ?
C33 F33B 1.344(11) . ?
C33 F33A 1.367(12) . ?
C33 C34 1.540(14) . ?
C34 F34B 1.326(12) . ?
C34 F34A 1.358(12) . ?
C34 C35 1.555(14) . ?
C35 F35B 1.296(12) . ?
C35 F35A 1.359(12) . ?
C35 C36 1.566(14) . ?
C36 F36B 1.331(12) . ?
C36 F36A 1.362(12) . ?
C36 C37 1.550(14) . ?
C37 F37B 1.325(11) . ?
C37 F37A 1.388(12) . ?
C37 C38 1.520(14) . ?
C38 F38A 1.321(13) . ?
C38 F38B 1.326(12) . ?
C38 C39 1.543(16) . ?
C39 F39B 1.266(18) . ?
C39 F39A 1.395(19) . ?
C39 C40 1.477(18) . ?
C40 F40C 1.275(18) . ?
C40 F40A 1.273(17) . ?
C40 F40B 1.286(19) . ?
C41 C42 1.492(12) . ?
C42 C43 1.492(12) . ?
C43 F43A 1.331(14) . ?
C43 F43B 1.366(14) . ?
C43 C44 1.497(12) . ?
C44 F44B 1.294(15) . ?
C44 F44A 1.376(14) . ?
C44 C45 1.507(11) . ?
C45 F45B 1.245(16) . ?
C45 F45A 1.291(19) . ?
C45 C46 1.489(12) . ?
C46 F46B 1.315(12) . ?
C46 F46A 1.331(14) . ?
C46 C47 1.444(12) . ?
F46B F46A 1.71(3) . ?
C47 F47A 1.347(13) . ?
C47 F47B 1.349(13) . ?
C47 C48 1.452(12) . ?
F47A F47B 1.79(3) . ?
C48 F48B 1.374(12) . ?
C48 F48A 1.392(13) . ?
C48 C49 1.455(13) . ?
C49 F49A 1.385(14) . ?
C49 F49B 1.375(15) . ?
C49 C50 1.456(14) . ?
C50 F50A 1.203(14) . ?
C50 F50B 1.255(14) . ?
C50 F50C 1.281(15) . ?
C51 C52 1.467(17) . ?
C52 C53 1.492(16) . ?
C53 F53B 1.331(13) . ?
C53 F53A 1.355(14) . ?
C53 C54 1.500(16) . ?
C54 F54A 1.328(14) . ?
C54 F54B 1.329(14) . ?
C54 C55 1.536(15) . ?
C55 F55B 1.304(12) . ?
C55 F55A 1.340(13) . ?
C55 C56 1.554(15) . ?
C56 F56A 1.301(13) . ?
C56 F56B 1.336(13) . ?
C56 C57 1.571(15) . ?
C57 F57B 1.293(13) . ?
C57 F57A 1.310(13) . ?
C57 C58 1.571(16) . ?
C58 F58B 1.296(14) . ?
C58 F58A 1.345(14) . ?
C58 C59 1.504(18) . ?
C59 F59A 1.246(18) . ?
C59 F59B 1.418(19) . ?
C59 C60 1.48(2) . ?
C60 F60B 1.249(19) . ?
C60 F60A 1.267(17) . ?
C60 F60C 1.37(2) . ?
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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 Pd1 P1 C12A 10.6(4) . . . . ?
O1 Pd1 P1 C12A -167.5(4) . . . . ?
P2 Pd1 P1 C12A 28.4(6) . . . . ?
C11 Pd1 P1 C21 130.6(5) . . . . ?
O1 Pd1 P1 C21 -47.6(5) . . . . ?
P2 Pd1 P1 C21 148.4(6) . . . . ?
C11 Pd1 P1 C31 -105.1(5) . . . . ?
O1 Pd1 P1 C31 76.7(5) . . . . ?
P2 Pd1 P1 C31 -87.3(6) . . . . ?
C11 Pd1 O1 C1 -179(100) . . . . ?
P1 Pd1 O1 C1 -163.6(13) . . . . ?
P2 Pd1 O1 C1 12.8(13) . . . . ?
Pd1 O1 C1 O2 6(3) . . . . ?
Pd1 O1 C1 C2 -177.5(9) . . . . ?
C11 Pd1 P2 C51 101.5(6) . . . . ?
O1 Pd1 P2 C51 -80.0(6) . . . . ?
P1 Pd1 P2 C51 83.7(7) . . . . ?
C11 Pd1 P2 C16A -11.4(5) . . . . ?
O1 Pd1 P2 C16A 167.2(5) . . . . ?
P1 Pd1 P2 C16A -29.2(7) . . . . ?
C11 Pd1 P2 C41 -129.9(6) . . . . ?
O1 Pd1 P2 C41 48.7(6) . . . . ?
P1 Pd1 P2 C41 -147.7(6) . . . . ?
O1 C1 C2 F3 37(3) . . . . ?
O2 C1 C2 F3 -145(3) . . . . ?
O1 C1 C2 F1 -74(3) . . . . ?
O2 C1 C2 F1 104(3) . . . . ?
O1 C1 C2 F2 172(2) . . . . ?
O2 C1 C2 F2 -11(3) . . . . ?
O1 Pd1 C11 C12 15(4) . . . . ?
P1 Pd1 C11 C12 -0.8(7) . . . . ?
P2 Pd1 C11 C12 -176.8(8) . . . . ?
O1 Pd1 C11 C16 -170(3) . . . . ?
P1 Pd1 C11 C16 174.4(8) . . . . ?
P2 Pd1 C11 C16 -1.6(7) . . . . ?
C21 P1 C12A C12 -143.7(7) . . . . ?
C31 P1 C12A C12 104.7(8) . . . . ?
Pd1 P1 C12A C12 -18.6(7) . . . . ?
C16 C11 C12 C13 -5.8(14) . . . . ?
Pd1 C11 C12 C13 169.5(8) . . . . ?
C16 C11 C12 C12A 171.8(9) . . . . ?
Pd1 C11 C12 C12A -12.8(12) . . . . ?
P1 C12A C12 C11 21.2(11) . . . . ?
P1 C12A C12 C13 -161.1(8) . . . . ?
C11 C12 C13 C14 1.1(15) . . . . ?
C12A C12 C13 C14 -176.6(9) . . . . ?
C12 C13 C14 C15 4.0(16) . . . . ?
C13 C14 C15 C16 -4.2(17) . . . . ?
C14 C15 C16 C11 -0.7(16) . . . . ?
C14 C15 C16 C16A 170.9(10) . . . . ?
C12 C11 C16 C15 5.6(14) . . . . ?
Pd1 C11 C16 C15 -169.7(8) . . . . ?
C12 C11 C16 C16A -166.2(9) . . . . ?
Pd1 C11 C16 C16A 18.4(12) . . . . ?
C15 C16 C16A P2 161.2(9) . . . . ?
C11 C16 C16A P2 -27.1(12) . . . . ?
C51 P2 C16A C16 -99.5(8) . . . . ?
C41 P2 C16A C16 149.1(8) . . . . ?
Pd1 P2 C16A C16 22.2(8) . . . . ?
C12A P1 C21 C22 72.2(11) . . . . ?
C31 P1 C21 C22 -175.2(10) . . . . ?
Pd1 P1 C21 C22 -44.7(12) . . . . ?
P1 C21 C22 C23 165.6(11) . . . . ?
C21 C22 C23 F23B 43(2) . . . . ?
C21 C22 C23 F23A -64.1(18) . . . . ?
C21 C22 C23 C24 177.7(12) . . . . ?
F23B C23 C24 F24A 77.9(18) . . . . ?
F23A C23 C24 F24A -175.9(15) . . . . ?
C22 C23 C24 F24A -58.1(18) . . . . ?
F23B C23 C24 F24B -172.4(16) . . . . ?
F23A C23 C24 F24B -66.2(17) . . . . ?
C22 C23 C24 F24B 51.6(18) . . . . ?
F23B C23 C24 C25 -45.9(18) . . . . ?
F23A C23 C24 C25 60.3(16) . . . . ?
C22 C23 C24 C25 178.1(12) . . . . ?
F24A C24 C25 F25B -65.6(16) . . . . ?
F24B C24 C25 F25B -175.7(14) . . . . ?
C23 C24 C25 F25B 58.4(15) . . . . ?
F24A C24 C25 F25A -177.1(14) . . . . ?
F24B C24 C25 F25A 72.8(16) . . . . ?
C23 C24 C25 F25A -53.1(15) . . . . ?
F24A C24 C25 C26 56.7(17) . . . . ?
F24B C24 C25 C26 -53.4(17) . . . . ?
C23 C24 C25 C26 -179.3(10) . . . . ?
F25B C25 C26 F26B 67.8(13) . . . . ?
F25A C25 C26 F26B -178.7(10) . . . . ?
C24 C25 C26 F26B -53.2(14) . . . . ?
F25B C25 C26 F26A -177.9(10) . . . . ?
F25A C25 C26 F26A -64.4(12) . . . . ?
C24 C25 C26 F26A 61.2(13) . . . . ?
F25B C25 C26 C27 -58.4(14) . . . . ?
F25A C25 C26 C27 55.1(14) . . . . ?
C24 C25 C26 C27 -179.3(10) . . . . ?
F26B C26 C27 F27B 178.3(9) . . . . ?
F26A C26 C27 F27B 64.1(11) . . . . ?
C25 C26 C27 F27B -55.3(13) . . . . ?
F26B C26 C27 F27A -66.1(11) . . . . ?
F26A C26 C27 F27A 179.7(8) . . . . ?
C25 C26 C27 F27A 60.3(12) . . . . ?
F26B C26 C27 C28 52.6(13) . . . . ?
F26A C26 C27 C28 -61.7(12) . . . . ?
C25 C26 C27 C28 178.9(9) . . . . ?
F27B C27 C28 F28B -179.4(8) . . . . ?
F27A C27 C28 F28B 64.8(11) . . . . ?
C26 C27 C28 F28B -54.0(13) . . . . ?
F27B C27 C28 F28A -64.9(11) . . . . ?
F27A C27 C28 F28A 179.3(8) . . . . ?
C26 C27 C28 F28A 60.5(12) . . . . ?
F27B C27 C28 C29 53.5(13) . . . . ?
F27A C27 C28 C29 -62.3(13) . . . . ?
C26 C27 C28 C29 178.9(9) . . . . ?
F28B C28 C29 F29B 176.4(8) . . . . ?
F28A C28 C29 F29B 62.4(11) . . . . ?
C27 C28 C29 F29B -56.2(13) . . . . ?
F28B C28 C29 F29A -65.0(11) . . . . ?
F28A C28 C29 F29A -178.9(8) . . . . ?
C27 C28 C29 F29A 62.5(12) . . . . ?
F28B C28 C29 C30 50.7(14) . . . . ?
F28A C28 C29 C30 -63.3(13) . . . . ?
C27 C28 C29 C30 178.1(10) . . . . ?
F29B C29 C30 F30A 47.2(14) . . . . ?
F29A C29 C30 F30A -67.0(13) . . . . ?
C28 C29 C30 F30A 174.6(10) . . . . ?
F29B C29 C30 F30C 178.2(10) . . . . ?
F29A C29 C30 F30C 63.9(13) . . . . ?
C28 C29 C30 F30C -54.5(16) . . . . ?
F29B C29 C30 F30B -65.7(12) . . . . ?
F29A C29 C30 F30B -179.9(9) . . . . ?
C28 C29 C30 F30B 61.7(14) . . . . ?
C12A P1 C31 C32 -57.8(10) . . . . ?
C21 P1 C31 C32 -172.8(8) . . . . ?
Pd1 P1 C31 C32 56.7(9) . . . . ?
P1 C31 C32 C33 176.4(7) . . . . ?
C31 C32 C33 F33B -54.7(12) . . . . ?
C31 C32 C33 F33A 62.7(12) . . . . ?
C31 C32 C33 C34 -177.8(9) . . . . ?
F33B C33 C34 F34B 178.3(8) . . . . ?
F33A C33 C34 F34B 63.4(10) . . . . ?
C32 C33 C34 F34B -57.3(12) . . . . ?
F33B C33 C34 F34A -63.7(10) . . . . ?
F33A C33 C34 F34A -178.6(7) . . . . ?
C32 C33 C34 F34A 60.7(11) . . . . ?
F33B C33 C34 C35 54.9(12) . . . . ?
F33A C33 C34 C35 -59.9(10) . . . . ?
C32 C33 C34 C35 179.4(8) . . . . ?
F34B C34 C35 F35B 179.9(8) . . . . ?
F34A C34 C35 F35B 62.3(11) . . . . ?
C33 C34 C35 F35B -56.9(12) . . . . ?
F34B C34 C35 F35A -61.3(11) . . . . ?
F34A C34 C35 F35A -178.9(8) . . . . ?
C33 C34 C35 F35A 61.9(11) . . . . ?
F34B C34 C35 C36 55.6(12) . . . . ?
F34A C34 C35 C36 -62.0(11) . . . . ?
C33 C34 C35 C36 178.8(8) . . . . ?
F35B C35 C36 F36B 179.4(8) . . . . ?
F35A C35 C36 F36B 63.5(11) . . . . ?
C34 C35 C36 F36B -54.9(12) . . . . ?
F35B C35 C36 F36A -64.9(11) . . . . ?
F35A C35 C36 F36A 179.2(8) . . . . ?
C34 C35 C36 F36A 60.8(11) . . . . ?
F35B C35 C36 C37 53.7(12) . . . . ?
F35A C35 C36 C37 -62.2(11) . . . . ?
C34 C35 C36 C37 179.5(8) . . . . ?
F36B C36 C37 F37B 179.3(8) . . . . ?
F36A C36 C37 F37B 64.8(10) . . . . ?
C35 C36 C37 F37B -54.4(12) . . . . ?
F36B C36 C37 F37A -65.8(10) . . . . ?
F36A C36 C37 F37A 179.8(7) . . . . ?
C35 C36 C37 F37A 60.5(11) . . . . ?
F36B C36 C37 C38 53.1(12) . . . . ?
F36A C36 C37 C38 -61.4(11) . . . . ?
C35 C36 C37 C38 179.3(8) . . . . ?
F37B C37 C38 F38A -66.3(11) . . . . ?
F37A C37 C38 F38A 177.8(8) . . . . ?
C36 C37 C38 F38A 59.1(12) . . . . ?
F37B C37 C38 F38B 177.6(9) . . . . ?
F37A C37 C38 F38B 61.8(11) . . . . ?
C36 C37 C38 F38B -56.9(13) . . . . ?
F37B C37 C38 C39 52.6(13) . . . . ?
F37A C37 C38 C39 -63.2(12) . . . . ?
C36 C37 C38 C39 178.1(10) . . . . ?
F38A C38 C39 F39B 67.3(15) . . . . ?
F38B C38 C39 F39B -177.9(14) . . . . ?
C37 C38 C39 F39B -53.0(17) . . . . ?
F38A C38 C39 F39A -173.6(11) . . . . ?
F38B C38 C39 F39A -58.9(13) . . . . ?
C37 C38 C39 F39A 66.1(14) . . . . ?
F38A C38 C39 C40 -61.6(16) . . . . ?
F38B C38 C39 C40 53.2(17) . . . . ?
C37 C38 C39 C40 178.2(12) . . . . ?
F39B C39 C40 F40C -176.8(18) . . . . ?
F39A C39 C40 F40C 66(2) . . . . ?
C38 C39 C40 F40C -48(2) . . . . ?
F39B C39 C40 F40A 52(2) . . . . ?
F39A C39 C40 F40A -65.9(18) . . . . ?
C38 C39 C40 F40A -179.1(13) . . . . ?
F39B C39 C40 F40B -68(2) . . . . ?
F39A C39 C40 F40B 174.4(17) . . . . ?
C38 C39 C40 F40B 61(2) . . . . ?
C51 P2 C41 C42 166.0(10) . . . . ?
C16A P2 C41 C42 -83.5(11) . . . . ?
Pd1 P2 C41 C42 32.6(12) . . . . ?
P2 C41 C42 C43 -179.1(10) . . . . ?
C41 C42 C43 F43A 60.4(15) . . . . ?
C41 C42 C43 F43B -52.3(15) . . . . ?
C41 C42 C43 C44 -173.4(12) . . . . ?
F43A C43 C44 F44B 175.1(11) . . . . ?
F43B C43 C44 F44B -71.3(12) . . . . ?
C42 C43 C44 F44B 50.8(15) . . . . ?
F43A C43 C44 F44A 63.8(13) . . . . ?
F43B C43 C44 F44A 177.4(10) . . . . ?
C42 C43 C44 F44A -60.4(15) . . . . ?
F43A C43 C44 C45 -56.9(15) . . . . ?
F43B C43 C44 C45 56.7(15) . . . . ?
C42 C43 C44 C45 178.8(11) . . . . ?
F44B C44 C45 F45B 179.1(16) . . . . ?
F44A C44 C45 F45B -69.8(18) . . . . ?
C43 C44 C45 F45B 51(2) . . . . ?
F44B C44 C45 F45A 69.1(15) . . . . ?
F44A C44 C45 F45A -179.8(13) . . . . ?
C43 C44 C45 F45A -59.1(17) . . . . ?
F44B C44 C45 C46 -48.2(17) . . . . ?
F44A C44 C45 C46 62.9(16) . . . . ?
C43 C44 C45 C46 -176.4(12) . . . . ?
F45B C45 C46 F46B 102(2) . . . . ?
F45A C45 C46 F46B -150.5(19) . . . . ?
C44 C45 C46 F46B -31(2) . . . . ?
F45B C45 C46 F46A -170(2) . . . . ?
F45A C45 C46 F46A -63(2) . . . . ?
C44 C45 C46 F46A 57(2) . . . . ?
F45B C45 C46 C47 -48(2) . . . . ?
F45A C45 C46 C47 59(2) . . . . ?
C44 C45 C46 C47 179.2(13) . . . . ?
C47 C46 F46B F46A -97.4(15) . . . . ?
C45 C46 F46B F46A 108.0(15) . . . . ?
C47 C46 F46A F46B 112.5(12) . . . . ?
C45 C46 F46A F46B -110.7(12) . . . . ?
F46B C46 C47 F47A 171.6(19) . . . . ?
F46A C46 C47 F47A 87(2) . . . . ?
C45 C46 C47 F47A -38(2) . . . . ?
F46B C46 C47 F47B -102(2) . . . . ?
F46A C46 C47 F47B 174(2) . . . . ?
C45 C46 C47 F47B 48(2) . . . . ?
F46B C46 C47 C48 33(3) . . . . ?
F46A C46 C47 C48 -51(2) . . . . ?
C45 C46 C47 C48 -177.1(15) . . . . ?
C48 C47 F47A F47B -109.0(13) . . . . ?
C46 C47 F47A F47B 102.7(13) . . . . ?
C48 C47 F47B F47A 108.8(13) . . . . ?
C46 C47 F47B F47A -106.0(12) . . . . ?
F47A C47 C48 F48B -179.2(15) . . . . ?
F47B C47 C48 F48B 91.0(18) . . . . ?
C46 C47 C48 F48B -41(2) . . . . ?
F47A C47 C48 F48A -81.8(17) . . . . ?
F47B C47 C48 F48A -171.6(17) . . . . ?
C46 C47 C48 F48A 56(2) . . . . ?
F47A C47 C48 C49 42(2) . . . . ?
F47B C47 C48 C49 -48(2) . . . . ?
C46 C47 C48 C49 179.4(15) . . . . ?
F48B C48 C49 F49A -79(2) . . . . ?
F48A C48 C49 F49A -175.6(16) . . . . ?
C47 C48 C49 F49A 57(2) . . . . ?
F48B C48 C49 F49B 165.5(15) . . . . ?
F48A C48 C49 F49B 69.2(18) . . . . ?
C47 C48 C49 F49B -59(2) . . . . ?
F48B C48 C49 C50 44(2) . . . . ?
F48A C48 C49 C50 -53(2) . . . . ?
C47 C48 C49 C50 179.6(16) . . . . ?
F49A C49 C50 F50A -39(3) . . . . ?
F49B C49 C50 F50A 76(2) . . . . ?
C48 C49 C50 F50A -160(2) . . . . ?
F49A C49 C50 F50B -173(2) . . . . ?
F49B C49 C50 F50B -58(2) . . . . ?
C48 C49 C50 F50B 66(3) . . . . ?
F49A C49 C50 F50C 71(2) . . . . ?
F49B C49 C50 F50C -173.5(17) . . . . ?
C48 C49 C50 F50C -49(2) . . . . ?
C16A P2 C51 C52 65.2(11) . . . . ?
C41 P2 C51 C52 177.9(10) . . . . ?
Pd1 P2 C51 C52 -46.9(11) . . . . ?
P2 C51 C52 C53 -167.8(9) . . . . ?
C51 C52 C53 F53B -48.9(15) . . . . ?
C51 C52 C53 F53A 65.6(15) . . . . ?
C51 C52 C53 C54 -174.9(11) . . . . ?
F53B C53 C54 F54A -73.1(12) . . . . ?
F53A C53 C54 F54A 173.9(10) . . . . ?
C52 C53 C54 F54A 53.6(14) . . . . ?
F53B C53 C54 F54B 174.3(11) . . . . ?
F53A C53 C54 F54B 61.3(13) . . . . ?
C52 C53 C54 F54B -59.0(14) . . . . ?
F53B C53 C54 C55 48.1(14) . . . . ?
F53A C53 C54 C55 -64.9(13) . . . . ?
C52 C53 C54 C55 174.8(10) . . . . ?
F54A C54 C55 F55B 63.7(13) . . . . ?
F54B C54 C55 F55B 175.6(11) . . . . ?
C53 C54 C55 F55B -57.9(13) . . . . ?
F54A C54 C55 F55A 179.5(10) . . . . ?
F54B C54 C55 F55A -68.6(13) . . . . ?
C53 C54 C55 F55A 57.8(13) . . . . ?
F54A C54 C55 C56 -60.5(12) . . . . ?
F54B C54 C55 C56 51.4(13) . . . . ?
C53 C54 C55 C56 177.8(9) . . . . ?
F55B C55 C56 F56A -71.4(12) . . . . ?
F55A C55 C56 F56A 172.1(9) . . . . ?
C54 C55 C56 F56A 52.6(12) . . . . ?
F55B C55 C56 F56B 169.2(9) . . . . ?
F55A C55 C56 F56B 52.7(11) . . . . ?
C54 C55 C56 F56B -66.7(12) . . . . ?
F55B C55 C56 C57 51.7(12) . . . . ?
F55A C55 C56 C57 -64.8(12) . . . . ?
C54 C55 C56 C57 175.8(9) . . . . ?
F56A C56 C57 F57B -180.0(10) . . . . ?
F56B C56 C57 F57B -62.0(12) . . . . ?
C55 C56 C57 F57B 57.0(12) . . . . ?
F56A C56 C57 F57A 61.4(12) . . . . ?
F56B C56 C57 F57A 179.4(9) . . . . ?
C55 C56 C57 F57A -61.6(12) . . . . ?
F56A C56 C57 C58 -59.2(12) . . . . ?
F56B C56 C57 C58 58.7(12) . . . . ?
C55 C56 C57 C58 177.7(9) . . . . ?
F57B C57 C58 F58B 58.2(12) . . . . ?
F57A C57 C58 F58B 174.7(10) . . . . ?
C56 C57 C58 F58B -64.1(13) . . . . ?
F57B C57 C58 F58A 172.4(10) . . . . ?
F57A C57 C58 F58A -71.2(12) . . . . ?
C56 C57 C58 F58A 50.1(13) . . . . ?
F57B C57 C58 C59 -64.6(14) . . . . ?
F57A C57 C58 C59 51.9(15) . . . . ?
C56 C57 C58 C59 173.1(11) . . . . ?
F58B C58 C59 F59A -74.6(17) . . . . ?
F58A C58 C59 F59A 171.9(14) . . . . ?
C57 C58 C59 F59A 48.8(19) . . . . ?
F58B C58 C59 F59B 168.8(11) . . . . ?
F58A C58 C59 F59B 55.3(14) . . . . ?
C57 C58 C59 F59B -67.8(15) . . . . ?
F58B C58 C59 C60 53(2) . . . . ?
F58A C58 C59 C60 -60.4(19) . . . . ?
C57 C58 C59 C60 176.5(14) . . . . ?
F59A C59 C60 F60B 66(2) . . . . ?
F59B C59 C60 F60B 178.0(16) . . . . ?
C58 C59 C60 F60B -64(2) . . . . ?
F59A C59 C60 F60A -67(2) . . . . ?
F59B C59 C60 F60A 46(2) . . . . ?
C58 C59 C60 F60A 163.7(16) . . . . ?
F59A C59 C60 F60C 171.4(16) . . . . ?
F59B C59 C60 F60C -76.5(17) . . . . ?
C58 C59 C60 F60C 42(2) . . . . ?
