#------------------------------------------------------------------------------
#$Date: 2020-10-06 11:55:35 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257547 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/53/7705376.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_7705376
loop_
_publ_author_name
'Sato, Ryota'
'Kanbara, Takaki'
'Kuwabara, Junpei'
_publ_section_title
;
 Air-stable Pd(0) catalyst bearing dual phosphine ligands: a detailed
 evaluation of air stability and catalytic property in cross-coupling
 reactions.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12814
_journal_page_last               12819
_journal_paper_doi               10.1039/d0dt02744h
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C56.5 H56 F18 O3 P2 Pd'
_chemical_formula_sum            'C56.5 H56 F18 O3 P2 Pd'
_chemical_formula_weight         1293.38
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2019-08-29 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                102.2520(10)
_cell_angle_beta                 92.1720(10)
_cell_angle_gamma                110.8340(10)
_cell_formula_units_Z            2
_cell_length_a                   14.2183(11)
_cell_length_b                   14.2230(9)
_cell_length_c                   15.4574(11)
_cell_measurement_reflns_used    9777
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.11
_cell_measurement_theta_min      2.18
_cell_volume                     2832.9(3)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        Unknown
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0146
_diffrn_reflns_av_unetI/netI     0.0167
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32539
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.100
_diffrn_reflns_theta_min         1.358
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.486
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.7086
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            nONE
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       nONE
_exptl_crystal_F_000             1314.00
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.60
_refine_diff_density_min         -1.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     723
_refine_ls_number_reflns         12411
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0549P)²+7.4564P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1155
_refine_ls_wR_factor_ref         0.1185
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11561
_reflns_number_total             12411
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d0dt02744h2.cif
_cod_data_source_block           stu_PdOPiv_3a
_cod_depositor_comments          'Adding full bibliography for 7705376.cif.'
_cod_database_code               7705376
loop_
_space_group_symop_id
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.28410(2) 0.17783(2) 0.69234(2) 0.01213(7) Uani 1 1 d . . . . .
P1 P 0.31092(5) 0.17586(5) 0.54415(4) 0.01257(13) Uani 1 1 d . . . . .
P2 P 0.26124(5) 0.17324(5) 0.83918(4) 0.01396(13) Uani 1 1 d . . . . .
F1 F 0.24160(17) -0.20118(18) 0.86495(19) 0.0524(6) Uani 1 1 d . . . . .
F2 F 0.1133(3) -0.2569(2) 0.9334(2) 0.0702(9) Uani 1 1 d . . . . .
F3 F 0.0993(2) -0.29801(17) 0.79188(19) 0.0616(7) Uani 1 1 d . . . . .
F4 F -0.1737(2) -0.1415(3) 0.8893(4) 0.1207(19) Uani 1 1 d . . . . .
F5 F -0.1569(2) -0.0539(3) 0.79362(16) 0.0834(12) Uani 1 1 d . . . . .
F6 F -0.12289(17) 0.0187(2) 0.92826(19) 0.0683(9) Uani 1 1 d . . . . .
F7 F -0.0722(2) 0.3433(3) 0.8979(3) 0.0933(12) Uani 1 1 d . . . . .
F8 F -0.0069(2) 0.3340(2) 0.77748(17) 0.0666(8) Uani 1 1 d . . . . .
F9 F 0.0359(2) 0.47741(19) 0.8728(2) 0.0698(9) Uani 1 1 d . . . . .
F10 F 0.1935(2) 0.4847(3) 1.17595(17) 0.0748(10) Uani 1 1 d . . . . .
F11 F 0.34110(19) 0.5024(2) 1.14713(15) 0.0529(6) Uani 1 1 d . . . . .
F12 F 0.2571(3) 0.3657(2) 1.18015(15) 0.0863(12) Uani 1 1 d . . . . .
F13 F 0.4091(4) 0.1468(3) 1.1718(2) 0.1186(19) Uani 1 1 d . . . . .
F14 F 0.5138(5) 0.0567(6) 1.1175(4) 0.0610(16) Uani 0.5 1 d . . P . .
F15 F 0.3808(5) 0.0084(2) 1.0923(2) 0.130(2) Uani 1 1 d . . . . .
F16 F 0.64897(13) 0.27720(15) 0.80762(12) 0.0290(4) Uani 1 1 d . . . . .
F17 F 0.71663(14) 0.35665(15) 0.94278(13) 0.0348(4) Uani 1 1 d . . . . .
F18 F 0.70552(14) 0.20051(16) 0.89054(14) 0.0358(4) Uani 1 1 d . . . . .
F19 F 0.5332(4) 0.1503(6) 1.1660(4) 0.071(2) Uani 0.5 1 d . . P . .
O1 O 0.28124(14) 0.32832(14) 0.70691(12) 0.0179(4) Uani 1 1 d . . . . .
O2 O 0.39960(16) 0.38789(16) 0.82508(14) 0.0271(4) Uani 1 1 d . . . . .
O3 O 0.5126(8) 0.5580(6) 0.9898(6) 0.202(4) Uani 1 1 d . . . . .
C1 C 0.28643(19) 0.03489(19) 0.67493(16) 0.0142(5) Uani 1 1 d . . . . .
C2 C 0.1975(2) -0.0536(2) 0.64947(17) 0.0170(5) Uani 1 1 d . . . . .
H2 H 0.135837 -0.046170 0.639501 0.020 Uiso 1 1 calc R U . . .
C3 C 0.1995(2) -0.1527(2) 0.63876(19) 0.0212(5) Uani 1 1 d . . . . .
H3 H 0.139569 -0.210520 0.620969 0.025 Uiso 1 1 calc R U . . .
C4 C 0.2903(2) -0.1656(2) 0.65450(19) 0.0228(6) Uani 1 1 d . . . . .
H4 H 0.291474 -0.231645 0.648157 0.027 Uiso 1 1 calc R U . . .
C5 C 0.3794(2) -0.0788(2) 0.67982(18) 0.0205(5) Uani 1 1 d . . . . .
H5 H 0.440673 -0.086766 0.690269 0.025 Uiso 1 1 calc R U . . .
C6 C 0.3774(2) 0.0200(2) 0.68963(17) 0.0173(5) Uani 1 1 d . . . . .
H6 H 0.437741 0.077421 0.706308 0.021 Uiso 1 1 calc R U . . .
C7 C 0.29176(19) 0.04950(19) 0.46687(17) 0.0153(5) Uani 1 1 d . . . . .
H7 H 0.319648 0.012869 0.501298 0.018 Uiso 1 1 calc R U . . .
C8 C 0.1788(2) -0.0197(2) 0.43926(17) 0.0179(5) Uani 1 1 d . . . . .
H8A H 0.143534 -0.021419 0.491731 0.021 Uiso 1 1 calc R U . . .
H8B H 0.148353 0.008803 0.399509 0.021 Uiso 1 1 calc R U . . .
C9 C 0.1680(2) -0.1299(2) 0.39220(19) 0.0227(6) Uani 1 1 d . . . . .
H9A H 0.194421 -0.159932 0.433458 0.027 Uiso 1 1 calc R U . . .
H9B H 0.096769 -0.172402 0.373973 0.027 Uiso 1 1 calc R U . . .
C10 C 0.2251(2) -0.1302(2) 0.31027(19) 0.0247(6) Uani 1 1 d . . . . .
H10A H 0.221785 -0.200008 0.284859 0.030 Uiso 1 1 calc R U . . .
H10B H 0.192803 -0.109111 0.265579 0.030 Uiso 1 1 calc R U . . .
C11 C 0.3358(2) -0.0572(2) 0.33440(19) 0.0235(6) Uani 1 1 d . . . . .
H11A H 0.368070 -0.054229 0.280330 0.028 Uiso 1 1 calc R U . . .
H11B H 0.370459 -0.084391 0.372031 0.028 Uiso 1 1 calc R U . . .
C12 C 0.3471(2) 0.0528(2) 0.38329(18) 0.0199(5) Uani 1 1 d . . . . .
H12A H 0.318755 0.083310 0.343795 0.024 Uiso 1 1 calc R U . . .
H12B H 0.418363 0.095621 0.400461 0.024 Uiso 1 1 calc R U . . .
C13 C 0.44299(19) 0.25769(19) 0.53618(17) 0.0158(5) Uani 1 1 d . . . . .
H13 H 0.450868 0.251487 0.472745 0.019 Uiso 1 1 calc R U . . .
C14 C 0.5178(2) 0.2183(2) 0.5767(2) 0.0215(5) Uani 1 1 d . . . . .
H14A H 0.510512 0.222160 0.639349 0.026 Uiso 1 1 calc R U . . .
H14B H 0.502167 0.146336 0.546819 0.026 Uiso 1 1 calc R U . . .
C15 C 0.6269(2) 0.2826(2) 0.5673(2) 0.0297(7) Uani 1 1 d . . . . .
H15A H 0.672760 0.257982 0.595395 0.036 Uiso 1 1 calc R U . . .
H15B H 0.635755 0.273875 0.504530 0.036 Uiso 1 1 calc R U . . .
C16 C 0.6533(2) 0.3971(2) 0.6102(2) 0.0296(7) Uani 1 1 d . . . . .
H16A H 0.650545 0.406780 0.673994 0.035 Uiso 1 1 calc R U . . .
H16B H 0.721823 0.436679 0.600961 0.035 Uiso 1 1 calc R U . . .
C17 C 0.5796(2) 0.4366(2) 0.5702(2) 0.0268(6) Uani 1 1 d . . . . .
H17A H 0.586707 0.432596 0.507540 0.032 Uiso 1 1 calc R U . . .
H17B H 0.595601 0.508682 0.600082 0.032 Uiso 1 1 calc R U . . .
C18 C 0.4702(2) 0.3725(2) 0.5801(2) 0.0232(6) Uani 1 1 d . . . . .
H18A H 0.461886 0.380723 0.642945 0.028 Uiso 1 1 calc R U . . .
H18B H 0.424407 0.397704 0.552753 0.028 Uiso 1 1 calc R U . . .
C19 C 0.23280(19) 0.2391(2) 0.50125(17) 0.0158(5) Uani 1 1 d . . . . .
H19 H 0.258786 0.310215 0.538330 0.019 Uiso 1 1 calc R U . . .
C20 C 0.2437(2) 0.2505(2) 0.40538(18) 0.0210(5) Uani 1 1 d . . . . .
H20A H 0.314891 0.282120 0.398785 0.025 Uiso 1 1 calc R U . . .
H20B H 0.216108 0.182652 0.364268 0.025 Uiso 1 1 calc R U . . .
C21 C 0.1873(2) 0.3179(3) 0.3831(2) 0.0288(7) Uani 1 1 d . . . . .
H21A H 0.218509 0.387386 0.421216 0.035 Uiso 1 1 calc R U . . .
H21B H 0.192503 0.322639 0.321698 0.035 Uiso 1 1 calc R U . . .
C22 C 0.0759(2) 0.2726(3) 0.3964(2) 0.0276(6) Uani 1 1 d . . . . .
H22A H 0.043372 0.205512 0.354899 0.033 Uiso 1 1 calc R U . . .
H22B H 0.042398 0.317807 0.383928 0.033 Uiso 1 1 calc R U . . .
C23 C 0.0647(2) 0.2606(2) 0.4916(2) 0.0222(6) Uani 1 1 d . . . . .
H23A H -0.006694 0.228849 0.497652 0.027 Uiso 1 1 calc R U . . .
H23B H 0.091605 0.328477 0.532751 0.027 Uiso 1 1 calc R U . . .
C24 C 0.1205(2) 0.1939(2) 0.51577(18) 0.0182(5) Uani 1 1 d . . . . .
H24A H 0.088888 0.123794 0.479011 0.022 Uiso 1 1 calc R U . . .
H24B H 0.115726 0.191225 0.577693 0.022 Uiso 1 1 calc R U . . .
C25 C 0.1659(2) 0.0516(2) 0.85376(16) 0.0166(5) Uani 1 1 d . . . . .
C26 C 0.1907(2) -0.0352(2) 0.85291(17) 0.0191(5) Uani 1 1 d . . . . .
H26 H 0.256842 -0.031233 0.847222 0.023 Uiso 1 1 calc R U . . .
C27 C 0.1169(2) -0.1276(2) 0.86054(18) 0.0218(5) Uani 1 1 d . . . . .
C28 C 0.0166(2) -0.1367(2) 0.86569(19) 0.0226(6) Uani 1 1 d . . . . .
H28 H -0.032662 -0.198961 0.869899 0.027 Uiso 1 1 calc R U . . .
C29 C -0.0082(2) -0.0516(2) 0.86443(18) 0.0203(5) Uani 1 1 d . . . . .
C30 C 0.0654(2) 0.0425(2) 0.85911(17) 0.0185(5) Uani 1 1 d . . . . .
H30 H 0.047380 0.099234 0.859136 0.022 Uiso 1 1 calc R U . . .
C31 C 0.1433(3) -0.2203(2) 0.8635(2) 0.0303(7) Uani 1 1 d . . . . .
C32 C -0.1158(2) -0.0582(2) 0.8686(2) 0.0257(6) Uani 1 1 d . . . . .
C33 C 0.2151(2) 0.2684(2) 0.90318(17) 0.0172(5) Uani 1 1 d . . . . .
C34 C 0.1395(2) 0.2898(2) 0.86017(18) 0.0188(5) Uani 1 1 d . . . . .
H34 H 0.118264 0.260865 0.799546 0.023 Uiso 1 1 calc R U . . .
C35 C 0.0962(2) 0.3544(2) 0.9085(2) 0.0228(6) Uani 1 1 d . . . . .
C36 C 0.1290(2) 0.4007(2) 0.9986(2) 0.0259(6) Uani 1 1 d . . . . .
H36 H 0.099353 0.443477 1.030786 0.031 Uiso 1 1 calc R U . . .
C37 C 0.2065(2) 0.3818(2) 1.03953(19) 0.0256(6) Uani 1 1 d . . . . .
C38 C 0.2496(2) 0.3163(2) 0.99263(18) 0.0209(5) Uani 1 1 d . . . . .
H38 H 0.301640 0.304404 1.021107 0.025 Uiso 1 1 calc R U . . .
C39 C 0.0133(2) 0.3766(3) 0.8639(2) 0.0336(7) Uani 1 1 d . . . . .
C40 C 0.2460(3) 0.4323(3) 1.1365(2) 0.0406(8) Uani 1 1 d . . . . .
C41 C 0.37397(19) 0.1831(2) 0.90660(17) 0.0168(5) Uani 1 1 d . . . . .
C42 C 0.3676(2) 0.1448(2) 0.98302(18) 0.0204(5) Uani 1 1 d . . . . .
H42 H 0.305111 0.118026 1.003412 0.025 Uiso 1 1 calc R U . . .
C43 C 0.4548(2) 0.1467(2) 1.02879(18) 0.0218(5) Uani 1 1 d . . . . .
C44 C 0.5481(2) 0.1858(2) 0.99867(19) 0.0215(5) Uani 1 1 d . . . . .
H44 H 0.606039 0.185932 1.028810 0.026 Uiso 1 1 calc R U . . .
C45 C 0.5543(2) 0.2247(2) 0.92306(18) 0.0187(5) Uani 1 1 d . . . . .
C46 C 0.4684(2) 0.2247(2) 0.87732(17) 0.0171(5) Uani 1 1 d . . . . .
H46 H 0.473632 0.252229 0.827463 0.021 Uiso 1 1 calc R U . . .
C47 C 0.4455(3) 0.1019(3) 1.1089(2) 0.0340(7) Uani 1 1 d . . . . .
C48 C 0.6562(2) 0.2649(2) 0.89081(19) 0.0226(6) Uani 1 1 d . . . . .
C49 C 0.3450(2) 0.4014(2) 0.76850(18) 0.0185(5) Uani 1 1 d . . . . .
C50 C 0.3515(2) 0.5126(2) 0.7704(2) 0.0263(6) Uani 1 1 d . . . . .
C51 C 0.2885(5) 0.5153(3) 0.6908(4) 0.079(2) Uani 1 1 d . . . . .
H51A H 0.311476 0.488176 0.636955 0.095 Uiso 1 1 calc R U . . .
H51B H 0.218611 0.473853 0.691358 0.095 Uiso 1 1 calc R U . . .
H51C H 0.295445 0.585504 0.693466 0.095 Uiso 1 1 calc R U . . .
C52 C 0.4621(3) 0.5802(3) 0.7691(4) 0.0583(13) Uani 1 1 d . . . . .
H52A H 0.502969 0.579175 0.819441 0.070 Uiso 1 1 calc R U . . .
H52B H 0.485152 0.553971 0.715003 0.070 Uiso 1 1 calc R U . . .
H52C H 0.467569 0.650134 0.771985 0.070 Uiso 1 1 calc R U . . .
C53 C 0.3168(4) 0.5549(3) 0.8562(3) 0.0515(11) Uani 1 1 d . . . . .
H53A H 0.357567 0.552662 0.906117 0.062 Uiso 1 1 calc R U . . .
H53B H 0.323833 0.625328 0.859582 0.062 Uiso 1 1 calc R U . . .
H53C H 0.247000 0.513677 0.857474 0.062 Uiso 1 1 calc R U . . .
C54 C 0.0523(6) 0.5502(6) 0.3761(5) 0.0401(16) Uiso 0.5 1 d . . P . .
C55 C 0.0269(6) 0.5232(6) 0.4382(5) 0.099(2) Uiso 1 1 d . . . . .
C56 C -0.0795(4) 0.4437(4) 0.4579(3) 0.0534(10) Uiso 1 1 d . . . . .
C57 C -0.1052(7) 0.4150(7) 0.5181(6) 0.0482(19) Uiso 0.5 1 d . . P . .
C58 C -0.0616(7) 0.4650(7) 0.3972(6) 0.053(2) Uiso 0.5 1 d . . P . .
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(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
C1 Pd1 O1 178.44(8) . . ?
C1 Pd1 P2 86.97(7) . . ?
O1 Pd1 P2 94.56(5) . . ?
C1 Pd1 P1 90.25(7) . . ?
O1 Pd1 P1 88.23(5) . . ?
P2 Pd1 P1 176.98(2) . . ?
C19 P1 C13 104.79(12) . . ?
C19 P1 C7 111.02(12) . . ?
C13 P1 C7 103.67(11) . . ?
C19 P1 Pd1 107.39(8) . . ?
C13 P1 Pd1 111.15(9) . . ?
C7 P1 Pd1 118.06(8) . . ?
C41 P2 C33 106.21(12) . . ?
C41 P2 C25 102.19(12) . . ?
C33 P2 C25 100.69(12) . . ?
C41 P2 Pd1 113.88(9) . . ?
C33 P2 Pd1 117.25(9) . . ?
C25 P2 Pd1 114.76(8) . . ?
C47 F13 F19 50.5(3) . . ?
F19 F14 C47 61.4(3) . . ?
F19 F14 F15 102.2(4) . . ?
C47 F14 F15 46.4(3) . . ?
C47 F15 F14 50.0(3) . . ?
F14 F19 C47 61.1(4) . . ?
F14 F19 F13 99.7(4) . . ?
C47 F19 F13 46.3(2) . . ?
C49 O1 Pd1 117.09(17) . . ?
C2 C1 C6 117.4(2) . . ?
C2 C1 Pd1 121.55(19) . . ?
C6 C1 Pd1 121.03(19) . . ?
C3 C2 C1 121.2(2) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 119.3(3) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C6 120.2(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 121.4(2) . . ?
C5 C6 H6 119.3 . . ?
C1 C6 H6 119.3 . . ?
C12 C7 C8 109.4(2) . . ?
C12 C7 P1 116.92(18) . . ?
C8 C7 P1 112.74(17) . . ?
C12 C7 H7 105.6 . . ?
C8 C7 H7 105.6 . . ?
P1 C7 H7 105.6 . . ?
C9 C8 C7 110.1(2) . . ?
C9 C8 H8A 109.6 . . ?
C7 C8 H8A 109.6 . . ?
C9 C8 H8B 109.6 . . ?
C7 C8 H8B 109.6 . . ?
H8A C8 H8B 108.2 . . ?
C10 C9 C8 111.2(2) . . ?
C10 C9 H9A 109.4 . . ?
C8 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C11 C10 C9 111.3(2) . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 C12 112.3(2) . . ?
C10 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
C10 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.9 . . ?
C11 C12 C7 110.1(2) . . ?
C11 C12 H12A 109.6 . . ?
C7 C12 H12A 109.6 . . ?
C11 C12 H12B 109.6 . . ?
C7 C12 H12B 109.6 . . ?
H12A C12 H12B 108.2 . . ?
C18 C13 C14 109.7(2) . . ?
C18 C13 P1 113.35(18) . . ?
C14 C13 P1 110.48(18) . . ?
C18 C13 H13 107.7 . . ?
C14 C13 H13 107.7 . . ?
P1 C13 H13 107.7 . . ?
C15 C14 C13 111.0(2) . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C13 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C14 111.1(3) . . ?
C16 C15 H15A 109.4 . . ?
C14 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
C14 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
C17 C16 C15 110.5(3) . . ?
C17 C16 H16A 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C16 C17 C18 110.8(2) . . ?
C16 C17 H17A 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
C13 C18 C17 111.1(2) . . ?
C13 C18 H18A 109.4 . . ?
C17 C18 H18A 109.4 . . ?
C13 C18 H18B 109.4 . . ?
C17 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
C20 C19 C24 111.3(2) . . ?
C20 C19 P1 115.59(18) . . ?
C24 C19 P1 113.73(18) . . ?
C20 C19 H19 105.0 . . ?
C24 C19 H19 105.0 . . ?
P1 C19 H19 105.0 . . ?
C21 C20 C19 110.1(2) . . ?
C21 C20 H20A 109.7 . . ?
C19 C20 H20A 109.7 . . ?
C21 C20 H20B 109.7 . . ?
C19 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
C22 C21 C20 111.0(2) . . ?
C22 C21 H21A 109.4 . . ?
C20 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C21 C22 C23 111.0(2) . . ?
C21 C22 H22A 109.4 . . ?
C23 C22 H22A 109.4 . . ?
C21 C22 H22B 109.4 . . ?
C23 C22 H22B 109.4 . . ?
H22A C22 H22B 108.0 . . ?
C22 C23 C24 111.3(2) . . ?
C22 C23 H23A 109.4 . . ?
C24 C23 H23A 109.4 . . ?
C22 C23 H23B 109.4 . . ?
C24 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C23 C24 C19 110.4(2) . . ?
C23 C24 H24A 109.6 . . ?
C19 C24 H24A 109.6 . . ?
C23 C24 H24B 109.6 . . ?
C19 C24 H24B 109.6 . . ?
H24A C24 H24B 108.1 . . ?
C30 C25 C26 118.7(2) . . ?
C30 C25 P2 120.1(2) . . ?
C26 C25 P2 121.0(2) . . ?
C27 C26 C25 120.2(3) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C26 C27 C28 121.0(3) . . ?
C26 C27 C31 120.9(3) . . ?
C28 C27 C31 118.1(3) . . ?
C29 C28 C27 118.6(3) . . ?
C29 C28 H28 120.7 . . ?
C27 C28 H28 120.7 . . ?
C28 C29 C30 121.2(3) . . ?
C28 C29 C32 120.5(3) . . ?
C30 C29 C32 118.3(3) . . ?
C25 C30 C29 120.2(3) . . ?
C25 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
F2 C31 F1 107.7(3) . . ?
F2 C31 F3 106.5(3) . . ?
F1 C31 F3 105.2(3) . . ?
F2 C31 C27 111.8(3) . . ?
F1 C31 C27 113.3(3) . . ?
F3 C31 C27 111.8(3) . . ?
F4 C32 F5 107.8(4) . . ?
F4 C32 F6 105.5(3) . . ?
F5 C32 F6 104.9(3) . . ?
F4 C32 C29 113.1(3) . . ?
F5 C32 C29 112.2(3) . . ?
F6 C32 C29 112.7(2) . . ?
C38 C33 C34 119.5(2) . . ?
C38 C33 P2 122.5(2) . . ?
C34 C33 P2 117.9(2) . . ?
C35 C34 C33 119.6(3) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C34 C35 C36 121.0(3) . . ?
C34 C35 C39 120.4(3) . . ?
C36 C35 C39 118.6(3) . . ?
C37 C36 C35 118.8(3) . . ?
C37 C36 H36 120.6 . . ?
C35 C36 H36 120.6 . . ?
C36 C37 C38 121.1(3) . . ?
C36 C37 C40 120.5(3) . . ?
C38 C37 C40 118.4(3) . . ?
C37 C38 C33 120.0(3) . . ?
C37 C38 H38 120.0 . . ?
C33 C38 H38 120.0 . . ?
F7 C39 F8 106.7(3) . . ?
F7 C39 F9 105.6(3) . . ?
F8 C39 F9 106.1(3) . . ?
F7 C39 C35 112.2(3) . . ?
F8 C39 C35 113.2(3) . . ?
F9 C39 C35 112.3(3) . . ?
F10 C40 F12 112.9(3) . . ?
F10 C40 F11 104.5(3) . . ?
F12 C40 F11 102.0(4) . . ?
F10 C40 C37 112.9(3) . . ?
F12 C40 C37 111.9(3) . . ?
F11 C40 C37 111.9(3) . . ?
C42 C41 C46 119.6(2) . . ?
C42 C41 P2 121.8(2) . . ?
C46 C41 P2 118.5(2) . . ?
C43 C42 C41 120.0(3) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C44 C43 C42 120.5(3) . . ?
C44 C43 C47 120.5(3) . . ?
C42 C43 C47 119.0(3) . . ?
C43 C44 C45 119.4(3) . . ?
C43 C44 H44 120.3 . . ?
C45 C44 H44 120.3 . . ?
C44 C45 C46 120.9(3) . . ?
C44 C45 C48 118.4(2) . . ?
C46 C45 C48 120.7(2) . . ?
C45 C46 C41 119.7(2) . . ?
C45 C46 H46 120.2 . . ?
C41 C46 H46 120.2 . . ?
F13 C47 F15 101.2(4) . . ?
F13 C47 F14 126.9(4) . . ?
F15 C47 F14 83.6(4) . . ?
F13 C47 F19 83.2(4) . . ?
F15 C47 F19 130.9(4) . . ?
F14 C47 F19 57.5(4) . . ?
F13 C47 C43 113.8(3) . . ?
F15 C47 C43 112.5(3) . . ?
F14 C47 C43 112.5(3) . . ?
F19 C47 C43 109.7(3) . . ?
F18 C48 F17 106.4(2) . . ?
F18 C48 F16 106.9(2) . . ?
F17 C48 F16 107.1(2) . . ?
F18 C48 C45 111.6(2) . . ?
F17 C48 C45 112.1(2) . . ?
F16 C48 C45 112.4(2) . . ?
O2 C49 O1 124.4(2) . . ?
O2 C49 C50 119.3(2) . . ?
O1 C49 C50 116.4(2) . . ?
C51 C50 C53 110.5(4) . . ?
C51 C50 C52 108.7(4) . . ?
C53 C50 C52 108.6(3) . . ?
C51 C50 C49 111.7(3) . . ?
C53 C50 C49 108.7(3) . . ?
C52 C50 C49 108.6(3) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C55 C54 C57 46.4(6) . 2_566 ?
C55 C54 C58 47.7(6) . . ?
C57 C54 C58 93.9(6) 2_566 . ?
C54 C55 C57 90.9(8) . 2_566 ?
C54 C55 C58 91.6(8) . . ?
C57 C55 C58 172.8(10) 2_566 . ?
C54 C55 C56 132.3(8) . . ?
C57 C55 C56 136.4(8) 2_566 . ?
C58 C55 C56 40.7(5) . . ?
C54 C55 C56 133.6(8) . 2_566 ?
C57 C55 C56 42.8(5) 2_566 2_566 ?
C58 C55 C56 134.5(8) . 2_566 ?
C56 C55 C56 93.9(5) . 2_566 ?
C58 C56 C57 174.4(9) . . ?
C58 C56 C55 52.3(6) . . ?
C57 C56 C55 133.2(7) . . ?
C58 C56 C55 138.2(7) . 2_566 ?
C57 C56 C55 47.4(6) . 2_566 ?
C55 C56 C55 86.1(5) . 2_566 ?
C56 C57 C55 89.8(8) . 2_566 ?
C56 C57 C54 132.5(8) . 2_566 ?
C55 C57 C54 42.7(5) 2_566 2_566 ?
C56 C58 C55 87.0(8) . . ?
C56 C58 C54 127.7(9) . . ?
C55 C58 C54 40.7(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 C1 2.006(2) . ?
Pd1 O1 2.1193(18) . ?
Pd1 P2 2.3163(7) . ?
Pd1 P1 2.3323(7) . ?
P1 C19 1.841(3) . ?
P1 C13 1.849(3) . ?
P1 C7 1.857(3) . ?
P2 C41 1.824(3) . ?
P2 C33 1.831(3) . ?
P2 C25 1.844(3) . ?
F1 C31 1.324(4) . ?
F2 C31 1.318(4) . ?
F3 C31 1.332(4) . ?
F4 C32 1.294(4) . ?
F5 C32 1.302(4) . ?
F6 C32 1.309(4) . ?
F7 C39 1.313(4) . ?
F8 C39 1.318(4) . ?
F9 C39 1.328(4) . ?
F10 C40 1.313(5) . ?
F11 C40 1.343(5) . ?
F12 C40 1.321(5) . ?
F13 C47 1.278(5) . ?
F13 F19 1.754(8) . ?
F14 F19 1.308(9) . ?
F14 C47 1.358(6) . ?
F14 F15 1.762(8) . ?
F15 C47 1.283(5) . ?
F16 C48 1.339(3) . ?
F17 C48 1.338(3) . ?
F18 C48 1.337(3) . ?
F19 C47 1.362(6) . ?
O1 C49 1.286(3) . ?
O2 C49 1.238(3) . ?
O3 O3 1.662(15) 2_667 ?
C1 C2 1.400(4) . ?
C1 C6 1.400(4) . ?
C2 C3 1.395(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.387(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.388(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.393(4) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.538(4) . ?
C7 C8 1.541(3) . ?
C7 H7 0.9800 . ?
C8 C9 1.532(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.530(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.524(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.534(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C18 1.529(4) . ?
C13 C14 1.536(4) . ?
C13 H13 0.9800 . ?
C14 C15 1.526(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.524(4) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.521(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.531(4) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.533(4) . ?
C19 C24 1.540(3) . ?
C19 H19 0.9800 . ?
C20 C21 1.532(4) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.522(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.525(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.526(4) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C30 1.395(4) . ?
C25 C26 1.397(4) . ?
C26 C27 1.391(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.392(4) . ?
C27 C31 1.503(4) . ?
C28 C29 1.380(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.396(4) . ?
C29 C32 1.504(4) . ?
C30 H30 0.9300 . ?
C33 C38 1.388(4) . ?
C33 C34 1.399(4) . ?
C34 C35 1.389(4) . ?
C34 H34 0.9300 . ?
C35 C36 1.390(4) . ?
C35 C39 1.503(4) . ?
C36 C37 1.385(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.387(4) . ?
C37 C40 1.507(4) . ?
C38 H38 0.9300 . ?
C41 C42 1.395(4) . ?
C41 C46 1.397(4) . ?
C42 C43 1.393(4) . ?
C42 H42 0.9300 . ?
C43 C44 1.384(4) . ?
C43 C47 1.498(4) . ?
C44 C45 1.388(4) . ?
C44 H44 0.9300 . ?
C45 C46 1.388(4) . ?
C45 C48 1.503(4) . ?
C46 H46 0.9300 . ?
C49 C50 1.544(4) . ?
C50 C51 1.509(5) . ?
C50 C53 1.513(5) . ?
C50 C52 1.527(5) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 C55 1.132(10) . ?
C54 C57 1.669(12) 2_566 ?
C54 C58 1.735(12) . ?
C55 C57 1.209(11) 2_566 ?
C55 C58 1.283(12) . ?
C55 C56 1.620(9) . ?
C55 C56 1.643(9) 2_566 ?
C56 C58 1.058(10) . ?
C56 C57 1.116(10) . ?
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
F19 F14 F15 C47 28.0(3) . . . . ?
F15 F14 F19 C47 -22.8(3) . . . . ?
C47 F14 F19 F13 26.6(3) . . . . ?
F15 F14 F19 F13 3.8(3) . . . . ?
C47 F13 F19 F14 -32.8(3) . . . . ?
C6 C1 C2 C3 -0.3(4) . . . . ?
Pd1 C1 C2 C3 -179.0(2) . . . . ?
C1 C2 C3 C4 0.9(4) . . . . ?
C2 C3 C4 C5 -0.9(4) . . . . ?
C3 C4 C5 C6 0.3(4) . . . . ?
C4 C5 C6 C1 0.4(4) . . . . ?
C2 C1 C6 C5 -0.3(4) . . . . ?
Pd1 C1 C6 C5 178.4(2) . . . . ?
C19 P1 C7 C12 78.5(2) . . . . ?
C13 P1 C7 C12 -33.6(2) . . . . ?
Pd1 P1 C7 C12 -156.95(16) . . . . ?
C19 P1 C7 C8 -49.6(2) . . . . ?
C13 P1 C7 C8 -161.60(18) . . . . ?
Pd1 P1 C7 C8 75.00(19) . . . . ?
C12 C7 C8 C9 59.9(3) . . . . ?
P1 C7 C8 C9 -168.19(18) . . . . ?
C7 C8 C9 C10 -57.8(3) . . . . ?
C8 C9 C10 C11 54.2(3) . . . . ?
C9 C10 C11 C12 -53.5(3) . . . . ?
C10 C11 C12 C7 56.0(3) . . . . ?
C8 C7 C12 C11 -58.6(3) . . . . ?
P1 C7 C12 C11 171.75(19) . . . . ?
C19 P1 C13 C18 52.2(2) . . . . ?
C7 P1 C13 C18 168.6(2) . . . . ?
Pd1 P1 C13 C18 -63.5(2) . . . . ?
C19 P1 C13 C14 175.71(19) . . . . ?
C7 P1 C13 C14 -67.8(2) . . . . ?
Pd1 P1 C13 C14 60.02(19) . . . . ?
C18 C13 C14 C15 -56.6(3) . . . . ?
P1 C13 C14 C15 177.8(2) . . . . ?
C13 C14 C15 C16 56.8(4) . . . . ?
C14 C15 C16 C17 -56.5(4) . . . . ?
C15 C16 C17 C18 56.7(4) . . . . ?
C14 C13 C18 C17 56.9(3) . . . . ?
P1 C13 C18 C17 -179.1(2) . . . . ?
C16 C17 C18 C13 -57.5(3) . . . . ?
C13 P1 C19 C20 58.8(2) . . . . ?
C7 P1 C19 C20 -52.5(2) . . . . ?
Pd1 P1 C19 C20 177.11(17) . . . . ?
C13 P1 C19 C24 -170.60(19) . . . . ?
C7 P1 C19 C24 78.1(2) . . . . ?
Pd1 P1 C19 C24 -52.3(2) . . . . ?
C24 C19 C20 C21 56.6(3) . . . . ?
P1 C19 C20 C21 -171.7(2) . . . . ?
C19 C20 C21 C22 -57.1(3) . . . . ?
C20 C21 C22 C23 57.2(4) . . . . ?
C21 C22 C23 C24 -56.6(3) . . . . ?
C22 C23 C24 C19 55.6(3) . . . . ?
C20 C19 C24 C23 -56.0(3) . . . . ?
P1 C19 C24 C23 171.35(19) . . . . ?
C41 P2 C25 C30 143.5(2) . . . . ?
C33 P2 C25 C30 34.1(2) . . . . ?
Pd1 P2 C25 C30 -92.7(2) . . . . ?
C41 P2 C25 C26 -41.3(2) . . . . ?
C33 P2 C25 C26 -150.7(2) . . . . ?
Pd1 P2 C25 C26 82.4(2) . . . . ?
C30 C25 C26 C27 -2.3(4) . . . . ?
P2 C25 C26 C27 -177.5(2) . . . . ?
C25 C26 C27 C28 2.5(4) . . . . ?
C25 C26 C27 C31 -177.5(3) . . . . ?
C26 C27 C28 C29 -1.0(4) . . . . ?
C31 C27 C28 C29 179.0(3) . . . . ?
C27 C28 C29 C30 -0.7(4) . . . . ?
C27 C28 C29 C32 179.2(3) . . . . ?
C26 C25 C30 C29 0.7(4) . . . . ?
P2 C25 C30 C29 175.9(2) . . . . ?
C28 C29 C30 C25 0.8(4) . . . . ?
C32 C29 C30 C25 -179.0(2) . . . . ?
C26 C27 C31 F2 126.8(3) . . . . ?
C28 C27 C31 F2 -53.2(4) . . . . ?
C26 C27 C31 F1 4.8(4) . . . . ?
C28 C27 C31 F1 -175.2(3) . . . . ?
C26 C27 C31 F3 -113.9(3) . . . . ?
C28 C27 C31 F3 66.1(4) . . . . ?
C28 C29 C32 F4 11.8(5) . . . . ?
C30 C29 C32 F4 -168.3(4) . . . . ?
C28 C29 C32 F5 -110.5(4) . . . . ?
C30 C29 C32 F5 69.4(4) . . . . ?
C28 C29 C32 F6 131.3(3) . . . . ?
C30 C29 C32 F6 -48.8(4) . . . . ?
C41 P2 C33 C38 -13.4(3) . . . . ?
C25 P2 C33 C38 92.8(2) . . . . ?
Pd1 P2 C33 C38 -142.0(2) . . . . ?
C41 P2 C33 C34 169.1(2) . . . . ?
C25 P2 C33 C34 -84.7(2) . . . . ?
Pd1 P2 C33 C34 40.5(2) . . . . ?
C38 C33 C34 C35 -3.3(4) . . . . ?
P2 C33 C34 C35 174.3(2) . . . . ?
C33 C34 C35 C36 1.9(4) . . . . ?
C33 C34 C35 C39 -178.8(3) . . . . ?
C34 C35 C36 C37 0.5(4) . . . . ?
C39 C35 C36 C37 -178.9(3) . . . . ?
C35 C36 C37 C38 -1.4(4) . . . . ?
C35 C36 C37 C40 178.6(3) . . . . ?
C36 C37 C38 C33 0.0(4) . . . . ?
C40 C37 C38 C33 180.0(3) . . . . ?
C34 C33 C38 C37 2.3(4) . . . . ?
P2 C33 C38 C37 -175.1(2) . . . . ?
C34 C35 C39 F7 117.4(4) . . . . ?
C36 C35 C39 F7 -63.2(4) . . . . ?
C34 C35 C39 F8 -3.5(5) . . . . ?
C36 C35 C39 F8 175.9(3) . . . . ?
C34 C35 C39 F9 -123.7(3) . . . . ?
C36 C35 C39 F9 55.6(4) . . . . ?
C36 C37 C40 F10 5.9(5) . . . . ?
C38 C37 C40 F10 -174.0(3) . . . . ?
C36 C37 C40 F12 134.6(4) . . . . ?
C38 C37 C40 F12 -45.4(5) . . . . ?
C36 C37 C40 F11 -111.7(4) . . . . ?
C38 C37 C40 F11 68.4(4) . . . . ?
C33 P2 C41 C42 73.5(2) . . . . ?
C25 P2 C41 C42 -31.6(3) . . . . ?
Pd1 P2 C41 C42 -155.9(2) . . . . ?
C33 P2 C41 C46 -110.3(2) . . . . ?
C25 P2 C41 C46 144.6(2) . . . . ?
Pd1 P2 C41 C46 20.2(2) . . . . ?
C46 C41 C42 C43 -1.0(4) . . . . ?
P2 C41 C42 C43 175.1(2) . . . . ?
C41 C42 C43 C44 -0.5(4) . . . . ?
C41 C42 C43 C47 -177.9(3) . . . . ?
C42 C43 C44 C45 1.0(4) . . . . ?
C47 C43 C44 C45 178.5(3) . . . . ?
C43 C44 C45 C46 -0.1(4) . . . . ?
C43 C44 C45 C48 -179.0(3) . . . . ?
C44 C45 C46 C41 -1.3(4) . . . . ?
C48 C45 C46 C41 177.5(2) . . . . ?
C42 C41 C46 C45 1.9(4) . . . . ?
P2 C41 C46 C45 -174.3(2) . . . . ?
F19 F13 C47 F15 130.4(4) . . . . ?
F19 F13 C47 F14 40.0(5) . . . . ?
F19 F13 C47 C43 -108.6(4) . . . . ?
F14 F15 C47 F13 -126.4(4) . . . . ?
F14 F15 C47 F19 -35.7(5) . . . . ?
F14 F15 C47 C43 111.7(4) . . . . ?
F19 F14 C47 F13 -49.1(6) . . . . ?
F15 F14 C47 F13 99.3(5) . . . . ?
F19 F14 C47 F15 -148.5(4) . . . . ?
F15 F14 C47 F19 148.5(4) . . . . ?
F19 F14 C47 C43 99.8(4) . . . . ?
F15 F14 C47 C43 -111.8(4) . . . . ?
F14 F19 C47 F13 142.5(4) . . . . ?
F14 F19 C47 F15 43.5(6) . . . . ?
F13 F19 C47 F15 -99.0(6) . . . . ?
F13 F19 C47 F14 -142.5(4) . . . . ?
F14 F19 C47 C43 -104.7(4) . . . . ?
F13 F19 C47 C43 112.9(4) . . . . ?
C44 C43 C47 F13 121.7(4) . . . . ?
C42 C43 C47 F13 -60.8(5) . . . . ?
C44 C43 C47 F15 -123.9(4) . . . . ?
C42 C43 C47 F15 53.6(5) . . . . ?
C44 C43 C47 F14 -31.5(6) . . . . ?
C42 C43 C47 F14 146.0(5) . . . . ?
C44 C43 C47 F19 30.5(6) . . . . ?
C42 C43 C47 F19 -152.0(5) . . . . ?
C44 C45 C48 F18 45.3(3) . . . . ?
C46 C45 C48 F18 -133.6(3) . . . . ?
C44 C45 C48 F17 -74.0(3) . . . . ?
C46 C45 C48 F17 107.2(3) . . . . ?
C44 C45 C48 F16 165.3(2) . . . . ?
C46 C45 C48 F16 -13.5(4) . . . . ?
Pd1 O1 C49 O2 -7.9(4) . . . . ?
Pd1 O1 C49 C50 172.33(18) . . . . ?
O2 C49 C50 C51 173.6(4) . . . . ?
O1 C49 C50 C51 -6.7(5) . . . . ?
O2 C49 C50 C53 -64.2(4) . . . . ?
O1 C49 C50 C53 115.6(3) . . . . ?
O2 C49 C50 C52 53.8(4) . . . . ?
O1 C49 C50 C52 -126.5(3) . . . . ?
C58 C54 C55 C57 -173.2(10) . . . 2_566 ?
C57 C54 C55 C58 173.2(10) 2_566 . . . ?
C57 C54 C55 C56 173.2(13) 2_566 . . . ?
C58 C54 C55 C56 0.0(7) . . . . ?
C57 C54 C55 C56 -0.9(7) 2_566 . . 2_566 ?
C58 C54 C55 C56 -174.1(13) . . . 2_566 ?
C54 C55 C56 C58 0.0(11) . . . . ?
C57 C55 C56 C58 170.1(14) 2_566 . . . ?
C56 C55 C56 C58 175.8(9) 2_566 . . . ?
C54 C55 C56 C57 178.5(10) . . . . ?
C57 C55 C56 C57 -11.4(18) 2_566 . . . ?
C58 C55 C56 C57 178.5(12) . . . . ?
C56 C55 C56 C57 -5.8(9) 2_566 . . . ?
C54 C55 C56 C55 -175.7(12) . . . 2_566 ?
C57 C55 C56 C55 -5.6(9) 2_566 . . 2_566 ?
C58 C55 C56 C55 -175.8(9) . . . 2_566 ?
C56 C55 C56 C55 -0.001(0) 2_566 . . 2_566 ?
C55 C56 C57 C55 7.8(13) . . . 2_566 ?
C55 C56 C57 C54 8.7(15) . . . 2_566 ?
C55 C56 C57 C54 0.9(7) 2_566 . . 2_566 ?
C55 C56 C58 C55 6.4(14) 2_566 . . . ?
C55 C56 C58 C54 0.0(7) . . . . ?
C55 C56 C58 C54 6.3(17) 2_566 . . . ?
C54 C55 C58 C56 -180.0(8) . . . . ?
C56 C55 C58 C56 -5.9(13) 2_566 . . . ?
C56 C55 C58 C54 180.0(8) . . . . ?
C56 C55 C58 C54 174.0(13) 2_566 . . . ?
C55 C54 C58 C56 0.0(10) . . . . ?
C57 C54 C58 C56 -4.9(11) 2_566 . . . ?
C57 C54 C58 C55 -4.9(7) 2_566 . . . ?
