#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:50:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179734 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/30/7003091.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_7003091
loop_
_publ_author_name
'Barnes, Nicholas A.'
'Brisdon, Alan K.'
'Brown, F. R. William'
'Cross, Wendy I.'
'Herbert, Christopher J.'
'Pritchard, Robin G.'
'Sadiq, Ghazala'
_publ_section_title
;
 The coordination chemistry of perfluorovinyl substituted phosphine
 ligands, a crystallographic and spectroscopic study.
 Co-crystallisation of both cis- and trans-isomers of
 [PtCl2{PiPr2(CFCF2)}2] within the same unit cell
;
_journal_issue                   1
_journal_name_full               'Dalton Transactions'
_journal_page_first              101
_journal_paper_doi               10.1039/b711825b
_journal_year                    2008
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C20 H10 F12 I2 P2 Pd1'
_chemical_formula_sum            'C20 H10 F12 I2 P2 Pd'
_chemical_formula_weight         900.42
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-07-03T17:22:10-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                106.783(10)
_cell_angle_beta                 94.101(10)
_cell_angle_gamma                102.413(10)
_cell_formula_units_Z            2
_cell_length_a                   9.9798(10)
_cell_length_b                   11.4305(10)
_cell_length_c                   12.382(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19.9
_cell_measurement_theta_min      14.5
_cell_measurement_wavelength     0.71073
_cell_volume                     1307.1(3)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'scintillation LiI'
_diffrn_detector_dtime           1.195
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf Nonius CAD4'
_diffrn_measurement_method       'non-profiled omega/2theta scans'
_diffrn_orient_matrix_type
;
x-axis points to radiation source
the matrix is specified in reciprocal space
;
_diffrn_orient_matrix_UB_11      0.052601
_diffrn_orient_matrix_UB_12      0.0555
_diffrn_orient_matrix_UB_13      0.075721
_diffrn_orient_matrix_UB_21      0.087036
_diffrn_orient_matrix_UB_22      0.011569
_diffrn_orient_matrix_UB_23      -0.035203
_diffrn_orient_matrix_UB_31      -0.020102
_diffrn_orient_matrix_UB_32      0.075346
_diffrn_orient_matrix_UB_33      -0.017071
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4874
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.74
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_decay_%        5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.289
_exptl_absorpt_correction_T_max  0.7345
_exptl_absorpt_correction_T_min  0.4936
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
North A.C.T., Phillips D.C. & Mathews F.S. (1968) Acta. Cryst. A24, 351
Number of psi-scan sets used was 4
Theta correction was applied.
Averaged transmission function was used.
No Fourier smoothing was applied.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.288
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.894
_refine_diff_density_min         -0.761
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4583
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0509P)²+1.9751P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0908
_reflns_number_gt                3784
_reflns_number_total             4583
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b711825b.txt
_cod_data_source_block           PdIPPhpfv2
_cod_database_code               7003091
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5091(6) 0.2162(5) 0.5532(5) 0.0491(14) Uani 1 1 d . . .
C2 C 0.3787(7) 0.1861(6) 0.5575(7) 0.0636(18) Uani 1 1 d . . .
C3 C 0.6248(6) 0.2306(5) 0.3602(5) 0.0442(13) Uani 1 1 d . . .
C4 C 0.5501(8) 0.1219(6) 0.2997(6) 0.0586(16) Uani 1 1 d . . .
C5 C 0.7746(5) 0.3874(5) 0.5706(5) 0.0419(12) Uani 1 1 d . . .
C6 C 0.8273(6) 0.5121(6) 0.6313(6) 0.0550(15) Uani 1 1 d . . .
H6 H 0.7716 0.5685 0.6361 0.066 Uiso 1 1 calc R . .
C7 C 0.9619(7) 0.5546(7) 0.6853(7) 0.073(2) Uani 1 1 d . . .
H7 H 0.9973 0.6395 0.7257 0.087 Uiso 1 1 calc R . .
C8 C 1.0439(7) 0.4713(7) 0.6794(7) 0.0675(19) Uani 1 1 d . . .
H8 H 1.1346 0.4995 0.7167 0.081 Uiso 1 1 calc R . .
C9 C 0.9928(6) 0.3481(7) 0.6193(6) 0.0630(18) Uani 1 1 d . . .
H9 H 1.0491 0.2923 0.6152 0.076 Uiso 1 1 calc R . .
C10 C 0.8588(6) 0.3041(6) 0.5641(5) 0.0510(14) Uani 1 1 d . . .
H10 H 0.8249 0.2193 0.5227 0.061 Uiso 1 1 calc R . .
C11 C 0.9422(6) 0.0438(6) 0.7391(5) 0.0506(14) Uani 1 1 d . . .
C12 C 1.0118(8) -0.0352(7) 0.6922(7) 0.0702(19) Uani 1 1 d . . .
C15 C 0.8015(6) 0.1804(5) 0.9096(5) 0.0478(13) Uani 1 1 d . . .
C16 C 0.7643(8) 0.2557(7) 0.8486(6) 0.0674(19) Uani 1 1 d . . .
H16 H 0.8181 0.2762 0.7953 0.081 Uiso 1 1 calc R . .
C17 C 0.6470(9) 0.3000(8) 0.8675(7) 0.084(2) Uani 1 1 d . . .
H17 H 0.6214 0.3496 0.8258 0.101 Uiso 1 1 calc R . .
C18 C 0.5694(9) 0.2724(8) 0.9453(7) 0.082(2) Uani 1 1 d . . .
H18 H 0.4907 0.303 0.9571 0.099 Uiso 1 1 calc R . .
C19 C 0.6059(8) 0.1992(8) 1.0076(7) 0.078(2) Uani 1 1 d . . .
H19 H 0.5526 0.1811 1.062 0.094 Uiso 1 1 calc R . .
C20 C 0.7215(7) 0.1527(7) 0.9890(6) 0.0619(17) Uani 1 1 d . . .
H20 H 0.7455 0.1023 1.0305 0.074 Uiso 1 1 calc R . .
F1 F 0.5857(4) 0.1461(4) 0.5873(4) 0.0709(11) Uani 1 1 d . . .
F2 F 0.3169(5) 0.0964(4) 0.5960(5) 0.1019(17) Uani 1 1 d . . .
F3 F 0.2887(4) 0.2407(4) 0.5241(5) 0.0979(16) Uani 1 1 d . . .
F4 F 0.7398(4) 0.2749(4) 0.3191(3) 0.0655(10) Uani 1 1 d . . .
F5 F 0.5812(5) 0.0532(4) 0.2035(4) 0.0862(13) Uani 1 1 d . . .
F6 F 0.4331(5) 0.0631(4) 0.3215(4) 0.0853(13) Uani 1 1 d . . .
F7 F 0.8554(5) 0.0714(5) 0.6671(3) 0.0814(13) Uani 1 1 d . . .
F8 F 1.0055(6) -0.0867(5) 0.5828(4) 0.1014(16) Uani 1 1 d . . .
F9 F 1.0996(6) -0.0721(6) 0.7489(5) 0.120(2) Uani 1 1 d . . .
F10 F 1.0470(7) 0.3918(6) 1.0211(6) 0.1215(19) Uani 1 1 d . . .
F11A F 1.2161(12) 0.4633(11) 0.9531(10) 0.105(3) Uiso 0.5 1 d PD . .
F12 F 1.2000(6) 0.2285(6) 0.8083(5) 0.121(2) Uani 1 1 d . . .
P1 P 0.59941(13) 0.33455(12) 0.49564(12) 0.0369(3) Uani 1 1 d . . .
P2 P 0.95504(15) 0.12272(14) 0.89041(13) 0.0440(3) Uani 1 1 d . . .
Pd1 Pd 0.5 0.5 0.5 0.03544(14) Uani 1 2 d S . .
Pd2 Pd 1 0 1 0.04057(15) Uani 1 2 d S . .
I1 I 0.47474(4) 0.52845(4) 0.71296(3) 0.04918(12) Uani 1 1 d . . .
I2 I 1.21546(4) 0.17180(4) 1.12069(4) 0.05642(14) Uani 1 1 d . . .
C14A C 1.1185(16) 0.3640(13) 0.9503(13) 0.067(4) Uiso 0.5 1 d PD . .
C14B C 1.1767(18) 0.3081(17) 0.8797(17) 0.089(5) Uiso 0.5 1 d PD . .
C13B C 1.0684(14) 0.2771(16) 0.9225(14) 0.060(4) Uiso 0.5 1 d PD . .
C13A C 1.0954(14) 0.2515(11) 0.8866(12) 0.047(3) Uiso 0.5 1 d PD . .
F11B F 1.2675(11) 0.4250(10) 0.9152(10) 0.094(3) Uiso 0.5 1 d PD . .
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 0 '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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
4 5 -2
2 3 -8
7 -3 -3
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
C2 C1 F1 116.6(6) . . ?
C2 C1 P1 126.9(5) . . ?
F1 C1 P1 116.3(4) . . ?
C1 C2 F3 124.8(6) . . ?
C1 C2 F2 124.9(7) . . ?
F3 C2 F2 110.3(6) . . ?
C4 C3 F4 115.9(6) . . ?
C4 C3 P1 129.4(5) . . ?
F4 C3 P1 114.7(4) . . ?
C3 C4 F6 126.2(6) . . ?
C3 C4 F5 124.0(7) . . ?
F6 C4 F5 109.8(6) . . ?
C6 C5 C10 119.2(5) . . ?
C6 C5 P1 119.8(4) . . ?
C10 C5 P1 120.9(4) . . ?
C5 C6 C7 120.5(6) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C8 C7 C6 119.9(7) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C9 C8 C7 119.9(6) . . ?
C9 C8 H8 120 . . ?
C7 C8 H8 120 . . ?
C8 C9 C10 121.0(6) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 H9 119.5 . . ?
C9 C10 C5 119.4(6) . . ?
C9 C10 H10 120.3 . . ?
C5 C10 H10 120.3 . . ?
C12 C11 F7 115.9(6) . . ?
C12 C11 P2 125.9(5) . . ?
F7 C11 P2 118.2(4) . . ?
C11 C12 F9 123.9(7) . . ?
C11 C12 F8 125.0(7) . . ?
F9 C12 F8 111.1(6) . . ?
C20 C15 C16 119.1(6) . . ?
C20 C15 P2 119.4(4) . . ?
C16 C15 P2 121.4(5) . . ?
C17 C16 C15 119.6(7) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C18 C17 C16 120.8(7) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 120.3(7) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C18 C19 C20 119.9(7) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C15 C20 C19 120.3(6) . . ?
C15 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C5 P1 C1 105.9(3) . . ?
C5 P1 C3 100.7(3) . . ?
C1 P1 C3 98.8(3) . . ?
C5 P1 Pd1 112.27(18) . . ?
C1 P1 Pd1 116.50(19) . . ?
C3 P1 Pd1 120.43(18) . . ?
C13B P2 C15 94.0(6) . . ?
C13B P2 C11 107.9(6) . . ?
C15 P2 C11 106.2(3) . . ?
C15 P2 C13A 108.2(5) . . ?
C11 P2 C13A 92.4(5) . . ?
C13B P2 Pd2 117.6(5) . . ?
C15 P2 Pd2 116.3(2) . . ?
C11 P2 Pd2 112.9(2) . . ?
C13A P2 Pd2 117.8(4) . . ?
P1 Pd1 P1 180 . 2_666 ?
P1 Pd1 I1 89.26(4) . . ?
P1 Pd1 I1 90.74(4) 2_666 . ?
P1 Pd1 I1 90.74(4) . 2_666 ?
P1 Pd1 I1 89.26(4) 2_666 2_666 ?
I1 Pd1 I1 180 . 2_666 ?
P2 Pd2 P2 180.0000(10) 2_757 . ?
P2 Pd2 I2 87.35(4) 2_757 . ?
P2 Pd2 I2 92.65(4) . . ?
P2 Pd2 I2 92.65(4) 2_757 2_757 ?
P2 Pd2 I2 87.35(4) . 2_757 ?
I2 Pd2 I2 180 . 2_757 ?
F10 C14A C13A 119.9(15) . . ?
F10 C14A F11A 110.5(13) . . ?
C13A C14A F11A 129.6(16) . . ?
F12 C14B F11B 119.5(15) . . ?
C13B C14B F11B 125.2(18) . . ?
C14B C13B F10 111.4(14) . . ?
C14B C13B P2 127.5(15) . . ?
F10 C13B P2 120.9(9) . . ?
C14A C13A F12 113.9(12) . . ?
C14A C13A P2 125.3(13) . . ?
F12 C13A P2 120.7(8) . . ?
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
C1 C2 1.282(9) . ?
C1 F1 1.349(7) . ?
C1 P1 1.810(6) . ?
C2 F3 1.306(8) . ?
C2 F2 1.307(8) . ?
C3 C4 1.283(9) . ?
C3 F4 1.346(7) . ?
C3 P1 1.825(6) . ?
C4 F6 1.304(8) . ?
C4 F5 1.322(8) . ?
C5 C6 1.370(8) . ?
C5 C10 1.389(8) . ?
C5 P1 1.809(5) . ?
C6 C7 1.374(9) . ?
C6 H6 0.93 . ?
C7 C8 1.373(10) . ?
C7 H7 0.93 . ?
C8 C9 1.352(10) . ?
C8 H8 0.93 . ?
C9 C10 1.374(9) . ?
C9 H9 0.93 . ?
C10 H10 0.93 . ?
C11 C12 1.288(9) . ?
C11 F7 1.346(7) . ?
C11 P2 1.811(6) . ?
C12 F9 1.297(9) . ?
C12 F8 1.303(9) . ?
C15 C20 1.375(9) . ?
C15 C16 1.386(8) . ?
C15 P2 1.798(6) . ?
C16 C17 1.382(10) . ?
C16 H16 0.93 . ?
C17 C18 1.343(12) . ?
C17 H17 0.93 . ?
C18 C19 1.375(11) . ?
C18 H18 0.93 . ?
C19 C20 1.377(9) . ?
C19 H19 0.93 . ?
C20 H20 0.93 . ?
F10 C14A 1.185(15) . ?
F10 C13B 1.577(19) . ?
F11A F11B 0.829(13) . ?
F11A C14A 1.318(15) . ?
F11A C14B 1.69(2) . ?
F12 C14B 1.148(19) . ?
F12 C13A 1.488(16) . ?
P1 Pd1 2.3063(13) . ?
P2 C13B 1.796(15) . ?
P2 C13A 1.815(13) . ?
P2 Pd2 2.3007(14) . ?
Pd1 P1 2.3064(13) 2_666 ?
Pd1 I1 2.5995(6) . ?
Pd1 I1 2.5995(6) 2_666 ?
Pd2 P2 2.3007(14) 2_757 ?
Pd2 I2 2.5968(6) . ?
Pd2 I2 2.5968(6) 2_757 ?
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
F1 C1 C2 F3 -177.5(6) . . . . ?
P1 C1 C2 F3 -2.7(11) . . . . ?
F1 C1 C2 F2 2.5(11) . . . . ?
P1 C1 C2 F2 177.2(5) . . . . ?
F4 C3 C4 F6 -177.9(6) . . . . ?
P1 C3 C4 F6 2.7(10) . . . . ?
F4 C3 C4 F5 1.2(9) . . . . ?
P1 C3 C4 F5 -178.1(5) . . . . ?
C10 C5 C6 C7 0.0(10) . . . . ?
P1 C5 C6 C7 -177.6(6) . . . . ?
C5 C6 C7 C8 -0.7(12) . . . . ?
C6 C7 C8 C9 0.9(12) . . . . ?
C7 C8 C9 C10 -0.4(12) . . . . ?
C8 C9 C10 C5 -0.3(10) . . . . ?
C6 C5 C10 C9 0.5(9) . . . . ?
P1 C5 C10 C9 178.1(5) . . . . ?
F7 C11 C12 F9 -179.9(7) . . . . ?
P2 C11 C12 F9 2.0(12) . . . . ?
F7 C11 C12 F8 1.3(11) . . . . ?
P2 C11 C12 F8 -176.8(6) . . . . ?
C20 C15 C16 C17 -0.8(11) . . . . ?
P2 C15 C16 C17 -178.8(6) . . . . ?
C15 C16 C17 C18 0.9(13) . . . . ?
C16 C17 C18 C19 0.0(14) . . . . ?
C17 C18 C19 C20 -0.8(14) . . . . ?
C16 C15 C20 C19 0.0(11) . . . . ?
P2 C15 C20 C19 178.0(6) . . . . ?
C18 C19 C20 C15 0.8(12) . . . . ?
C6 C5 P1 C1 -121.4(5) . . . . ?
C10 C5 P1 C1 61.0(5) . . . . ?
C6 C5 P1 C3 136.2(5) . . . . ?
C10 C5 P1 C3 -41.4(5) . . . . ?
C6 C5 P1 Pd1 6.8(6) . . . . ?
C10 C5 P1 Pd1 -170.8(4) . . . . ?
C2 C1 P1 C5 153.1(6) . . . . ?
F1 C1 P1 C5 -32.1(5) . . . . ?
C2 C1 P1 C3 -103.0(7) . . . . ?
F1 C1 P1 C3 71.7(5) . . . . ?
C2 C1 P1 Pd1 27.5(7) . . . . ?
F1 C1 P1 Pd1 -157.8(4) . . . . ?
C4 C3 P1 C5 137.8(6) . . . . ?
F4 C3 P1 C5 -41.5(4) . . . . ?
C4 C3 P1 C1 29.7(6) . . . . ?
F4 C3 P1 C1 -149.6(4) . . . . ?
C4 C3 P1 Pd1 -98.2(6) . . . . ?
F4 C3 P1 Pd1 82.5(4) . . . . ?
C20 C15 P2 C13B -121.8(7) . . . . ?
C16 C15 P2 C13B 56.1(8) . . . . ?
C20 C15 P2 C11 128.3(5) . . . . ?
C16 C15 P2 C11 -53.8(6) . . . . ?
C20 C15 P2 C13A -133.6(7) . . . . ?
C16 C15 P2 C13A 44.3(7) . . . . ?
C20 C15 P2 Pd2 1.8(6) . . . . ?
C16 C15 P2 Pd2 179.7(5) . . . . ?
C12 C11 P2 C13B 97.7(8) . . . . ?
F7 C11 P2 C13B -80.4(7) . . . . ?
C12 C11 P2 C15 -162.5(6) . . . . ?
F7 C11 P2 C15 19.4(6) . . . . ?
C12 C11 P2 C13A 87.7(8) . . . . ?
F7 C11 P2 C13A -90.3(6) . . . . ?
C12 C11 P2 Pd2 -33.9(7) . . . . ?
F7 C11 P2 Pd2 148.0(4) . . . . ?
C5 P1 Pd1 P1 7E1(9) . . . 2_666 ?
C1 P1 Pd1 P1 -17E1(9) . . . 2_666 ?
C3 P1 Pd1 P1 -5E1(9) . . . 2_666 ?
C5 P1 Pd1 I1 -73.6(2) . . . . ?
C1 P1 Pd1 I1 48.8(2) . . . . ?
C3 P1 Pd1 I1 168.2(2) . . . . ?
C5 P1 Pd1 I1 106.4(2) . . . 2_666 ?
C1 P1 Pd1 I1 -131.2(2) . . . 2_666 ?
C3 P1 Pd1 I1 -11.8(2) . . . 2_666 ?
C13B P2 Pd2 P2 11E1(10) . . . 2_757 ?
C15 P2 Pd2 P2 0E1(10) . . . 2_757 ?
C11 P2 Pd2 P2 -12E1(10) . . . 2_757 ?
C13A P2 Pd2 P2 13E1(10) . . . 2_757 ?
C13B P2 Pd2 I2 -0.7(6) . . . . ?
C15 P2 Pd2 I2 -111.0(2) . . . . ?
C11 P2 Pd2 I2 125.9(2) . . . . ?
C13A P2 Pd2 I2 20.0(5) . . . . ?
C13B P2 Pd2 I2 179.3(6) . . . 2_757 ?
C15 P2 Pd2 I2 69.0(2) . . . 2_757 ?
C11 P2 Pd2 I2 -54.1(2) . . . 2_757 ?
C13A P2 Pd2 I2 -160.0(5) . . . 2_757 ?
F12 C14B C13B F10 178.9(14) . . . . ?
F12 C14B C13B P2 4(3) . . . . ?
F11B C14B C13B P2 -173.1(13) . . . . ?
C15 P2 C13B C14B -145.7(16) . . . . ?
C11 P2 C13B C14B -37.3(18) . . . . ?
Pd2 P2 C13B C14B 91.7(17) . . . . ?
C15 P2 C13B F10 40.0(10) . . . . ?
C11 P2 C13B F10 148.4(9) . . . . ?
Pd2 P2 C13B F10 -82.6(10) . . . . ?
F10 C14A C13A F12 -175.4(12) . . . . ?
F11A C14A C13A F12 4(2) . . . . ?
F10 C14A C13A P2 2(2) . . . . ?
F11A C14A C13A P2 -179.2(13) . . . . ?
C15 P2 C13A C14A 41.0(14) . . . . ?
C11 P2 C13A C14A 148.8(13) . . . . ?
Pd2 P2 C13A C14A -93.7(13) . . . . ?
C15 P2 C13A F12 -142.4(8) . . . . ?
C11 P2 C13A F12 -34.5(9) . . . . ?
Pd2 P2 C13A F12 83.0(9) . . . . ?
