#------------------------------------------------------------------------------
#$Date: 2023-02-20 11:55:55 +0200 (Mon, 20 Feb 2023) $
#$Revision: 280988 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/22/7712285.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_7712285
loop_
_publ_author_name
'Ponce-de-León, Jaime'
'Peñas-Defrutos, Marconi N.'
'Vélez Blasco, Andrea'
'Aullon, Gabriel'
'Espinet, Pablo'
_publ_section_title
;
 Luminescence in the Solid State of Phosphine-EWO Ligands with Fluorinated
 Chalcone Skeletons and their PdX2 complexes. Metal-promoted
 Phosphorescence Enhancement
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00408B
_journal_year                    2023
_chemical_formula_moiety         'C54 H34 Cl2 F8 O2 P2 Pt'
_chemical_formula_sum            'C54 H34 Cl2 F8 O2 P2 Pt'
_chemical_formula_weight         1194.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2022-09-02
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-09-02 deposited with the CCDC.	2023-02-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.719(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.9677(8)
_cell_length_b                   10.9580(5)
_cell_length_c                   16.3180(7)
_cell_measurement_reflns_used    3493
_cell_measurement_temperature    294
_cell_measurement_theta_max      26.2320
_cell_measurement_theta_min      3.7840
_cell_volume                     2351.1(2)
_computing_cell_refinement       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      294.0
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.837
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -84.00  13.00   1.00    5.50    --  -10.64 -37.00  60.00   97
  2  ω    -35.00  28.00   1.00    5.50    --  -10.64  37.00 -90.00   63
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_unetI/netI     0.0632
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.837
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9845
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.837
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.530
_diffrn_reflns_theta_min         3.471
_exptl_absorpt_coefficient_mu    3.241
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.315
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.688
_exptl_crystal_description       prism
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.431
_exptl_crystal_size_mid          0.218
_exptl_crystal_size_min          0.139
_refine_diff_density_max         0.918
_refine_diff_density_min         -0.608
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         5505
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0219P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0645
_refine_ls_wR_factor_ref         0.0789
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3655
_reflns_number_total             5505
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt00408b3.cif
_cod_data_source_block           5-L1
_cod_database_code               7712285
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C17(H17), C18(H18), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25),
 C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C42(H42), C43(H43), C44(H44),
  C45(H45), C46(H46)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_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_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
Cl1 Cl -0.06971(10) 0.13174(11) 0.07439(7) 0.0520(3) Uani 1 1 d . . . . .
P1 P 0.02732(10) -0.14992(11) 0.10620(6) 0.0434(3) Uani 1 1 d . . . . .
Pt1 Pt 0.0000 0.0000 0.0000 0.03952(9) Uani 1 2 d S T P . .
C11 C -0.0170(4) -0.1061(4) 0.1968(2) 0.0505(13) Uani 1 1 d . . . . .
C12 C 0.0492(5) -0.0719(5) 0.2779(3) 0.0605(15) Uani 1 1 d . . . . .
F12 F 0.1491(3) -0.0684(3) 0.29659(16) 0.0822(10) Uani 1 1 d . . . . .
C13 C 0.0151(6) -0.0360(5) 0.3444(3) 0.0764(19) Uani 1 1 d . . . . .
F13 F 0.0824(3) -0.0047(3) 0.42143(18) 0.1156(15) Uani 1 1 d . . . . .
C14 C -0.0848(7) -0.0360(6) 0.3319(3) 0.084(2) Uani 1 1 d . . . . .
F14 F -0.1207(4) -0.0008(3) 0.3952(2) 0.1203(15) Uani 1 1 d . . . . .
C15 C -0.1524(5) -0.0706(5) 0.2530(3) 0.0696(16) Uani 1 1 d . . . . .
F15 F -0.2515(3) -0.0705(4) 0.2449(2) 0.0973(12) Uani 1 1 d . . . . .
C16 C -0.1220(5) -0.1040(4) 0.1829(3) 0.0564(14) Uani 1 1 d . . . . .
C17 C -0.1979(4) -0.1249(5) 0.0962(3) 0.0577(14) Uani 1 1 d . . . . .
H17 H -0.1752 -0.1115 0.0495 0.069 Uiso 1 1 calc R . . . .
C18 C -0.2923(5) -0.1595(6) 0.0754(3) 0.0765(18) Uani 1 1 d . . . . .
H18 H -0.3183 -0.1817 0.1188 0.092 Uiso 1 1 calc R . . . .
C19 C -0.3584(5) -0.1637(5) -0.0172(3) 0.0704(16) Uani 1 1 d . . . . .
O19 O -0.3216(3) -0.1532(4) -0.0744(2) 0.0874(13) Uani 1 1 d . . . . .
C20 C -0.4719(5) -0.1744(5) -0.0397(4) 0.0684(16) Uani 1 1 d . . . . .
C21 C -0.5185(6) -0.2060(7) 0.0186(4) 0.100(2) Uani 1 1 d . . . . .
H21 H -0.4797 -0.2219 0.0762 0.119 Uiso 1 1 calc R . . . .
C22 C -0.6249(7) -0.2146(8) -0.0083(6) 0.122(3) Uani 1 1 d . . . . .
H22 H -0.6566 -0.2363 0.0313 0.146 Uiso 1 1 calc R . . . .
C23 C -0.6815(6) -0.1910(8) -0.0928(7) 0.121(3) Uani 1 1 d . . . . .
H23 H -0.7521 -0.1947 -0.1108 0.145 Uiso 1 1 calc R . . . .
C24 C -0.6346(6) -0.1622(6) -0.1506(5) 0.106(2) Uani 1 1 d . . . . .
H24 H -0.6733 -0.1491 -0.2087 0.127 Uiso 1 1 calc R . . . .
C25 C -0.5314(6) -0.1523(6) -0.1247(4) 0.0862(19) Uani 1 1 d . . . . .
H25 H -0.5007 -0.1304 -0.1650 0.103 Uiso 1 1 calc R . . . .
C31 C 0.1628(4) -0.1804(4) 0.1545(2) 0.0457(12) Uani 1 1 d . . . . .
C32 C 0.2303(4) -0.0957(5) 0.1447(3) 0.0569(14) Uani 1 1 d . . . . .
H32 H 0.2061 -0.0285 0.1089 0.068 Uiso 1 1 calc R . . . .
C33 C 0.3333(5) -0.1085(6) 0.1868(3) 0.0723(17) Uani 1 1 d . . . . .
H33 H 0.3780 -0.0494 0.1804 0.087 Uiso 1 1 calc R . . . .
C34 C 0.3694(5) -0.2080(6) 0.2380(3) 0.0749(17) Uani 1 1 d . . . . .
H34 H 0.4390 -0.2168 0.2665 0.090 Uiso 1 1 calc R . . . .
C35 C 0.3042(5) -0.2943(5) 0.2476(3) 0.0767(18) Uani 1 1 d . . . . .
H35 H 0.3295 -0.3618 0.2828 0.092 Uiso 1 1 calc R . . . .
C36 C 0.2004(4) -0.2828(5) 0.2055(3) 0.0650(15) Uani 1 1 d . . . . .
H36 H 0.1562 -0.3431 0.2112 0.078 Uiso 1 1 calc R . . . .
C41 C -0.0369(3) -0.2954(4) 0.0735(3) 0.0455(11) Uani 1 1 d . . . . .
C42 C -0.0839(4) -0.3249(5) -0.0138(3) 0.0565(13) Uani 1 1 d . . . . .
H42 H -0.0816 -0.2705 -0.0569 0.068 Uiso 1 1 calc R . . . .
C43 C -0.1336(4) -0.4339(5) -0.0362(4) 0.0712(16) Uani 1 1 d . . . . .
H43 H -0.1636 -0.4533 -0.0948 0.085 Uiso 1 1 calc R . . . .
C44 C -0.1401(5) -0.5143(5) 0.0246(4) 0.0793(18) Uani 1 1 d . . . . .
H44 H -0.1748 -0.5876 0.0077 0.095 Uiso 1 1 calc R . . . .
C45 C -0.0958(5) -0.4876(5) 0.1109(4) 0.0750(17) Uani 1 1 d . . . . .
H45 H -0.0995 -0.5428 0.1531 0.090 Uiso 1 1 calc R . . . .
C46 C -0.0451(4) -0.3776(5) 0.1353(3) 0.0639(15) Uani 1 1 d . . . . .
H46 H -0.0161 -0.3587 0.1941 0.077 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'
Cl Cl 0.1484 0.1585 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-17 1 18 0.0696
17 -1 -18 0.0696
1 -13 12 0.0604
-1 13 -12 0.1264
6 9 14 0.1654
-6 -9 -14 0.2354
-17 5 -3 0.1797
-19 -3 13 0.0918
-4 -15 -1 0.1470
-4 6 -18 0.1933
14 9 -13 0.1565
-7 8 20 0.1253
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 P1 Pt1 113.44(15) . . ?
C31 P1 Pt1 109.76(15) . . ?
C31 P1 C11 106.3(2) . . ?
C41 P1 Pt1 117.40(14) . . ?
C41 P1 C11 101.4(2) . . ?
C41 P1 C31 107.7(2) . . ?
Cl1 Pt1 Cl1 180.0 3 . ?
Cl1 Pt1 P1 87.58(4) . 3 ?
Cl1 Pt1 P1 87.58(4) 3 . ?
Cl1 Pt1 P1 92.42(4) 3 3 ?
Cl1 Pt1 P1 92.42(4) . . ?
P1 Pt1 P1 180.0 3 . ?
C12 C11 P1 122.6(5) . . ?
C12 C11 C16 118.2(5) . . ?
C16 C11 P1 119.1(3) . . ?
F12 C12 C11 122.6(5) . . ?
F12 C12 C13 115.3(5) . . ?
C13 C12 C11 122.1(6) . . ?
F13 C13 C12 119.5(7) . . ?
F13 C13 C14 120.6(5) . . ?
C14 C13 C12 119.8(5) . . ?
C13 C14 F14 121.3(6) . . ?
C13 C14 C15 119.7(5) . . ?
F14 C14 C15 119.0(7) . . ?
C14 C15 C16 122.6(6) . . ?
F15 C15 C14 116.9(5) . . ?
F15 C15 C16 120.4(5) . . ?
C11 C16 C17 121.8(4) . . ?
C15 C16 C11 117.4(5) . . ?
C15 C16 C17 120.6(5) . . ?
C16 C17 H17 115.4 . . ?
C18 C17 C16 129.2(5) . . ?
C18 C17 H17 115.4 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.1(5) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C20 119.5(5) . . ?
O19 C19 C18 120.1(6) . . ?
O19 C19 C20 120.3(5) . . ?
C21 C20 C19 124.0(6) . . ?
C21 C20 C25 118.6(6) . . ?
C25 C20 C19 117.3(5) . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.1(7) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 120.2 . . ?
C23 C22 C21 119.7(7) . . ?
C23 C22 H22 120.2 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.8(8) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.6 . . ?
C23 C24 C25 120.8(7) . . ?
C25 C24 H24 119.6 . . ?
C20 C25 H25 119.5 . . ?
C24 C25 C20 120.9(7) . . ?
C24 C25 H25 119.5 . . ?
C32 C31 P1 118.7(4) . . ?
C32 C31 C36 118.8(5) . . ?
C36 C31 P1 122.4(4) . . ?
C31 C32 H32 119.4 . . ?
C31 C32 C33 121.1(5) . . ?
C33 C32 H32 119.4 . . ?
C32 C33 H33 120.1 . . ?
C34 C33 C32 119.8(6) . . ?
C34 C33 H33 120.1 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120.2(6) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 119.7 . . ?
C34 C35 C36 120.6(5) . . ?
C36 C35 H35 119.7 . . ?
C31 C36 H36 120.3 . . ?
C35 C36 C31 119.4(5) . . ?
C35 C36 H36 120.3 . . ?
C42 C41 P1 121.3(3) . . ?
C46 C41 P1 120.7(3) . . ?
C46 C41 C42 117.9(4) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 119.9(5) . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 119.1 . . ?
C44 C43 C42 121.7(5) . . ?
C44 C43 H43 119.1 . . ?
C43 C44 H44 120.1 . . ?
C43 C44 C45 119.9(5) . . ?
C45 C44 H44 120.1 . . ?
C44 C45 H45 120.3 . . ?
C44 C45 C46 119.5(5) . . ?
C46 C45 H45 120.3 . . ?
C41 C46 C45 121.1(5) . . ?
C41 C46 H46 119.5 . . ?
C45 C46 H46 119.5 . . ?
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
Cl1 Pt1 2.3029(11) . ?
P1 Pt1 2.3241(11) . ?
P1 C11 1.849(4) . ?
P1 C31 1.819(5) . ?
P1 C41 1.819(5) . ?
Pt1 Cl1 2.3028(11) 3 ?
Pt1 P1 2.3241(11) 3 ?
C11 C12 1.385(6) . ?
C11 C16 1.407(7) . ?
C12 F12 1.325(6) . ?
C12 C13 1.381(7) . ?
C13 F13 1.336(6) . ?
C13 C14 1.341(9) . ?
C14 F14 1.348(6) . ?
C14 C15 1.368(8) . ?
C15 F15 1.346(7) . ?
C15 C16 1.397(6) . ?
C16 C17 1.472(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.303(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.483(7) . ?
C19 O19 1.214(5) . ?
C19 C20 1.506(8) . ?
C20 C21 1.366(8) . ?
C20 C25 1.377(7) . ?
C21 H21 0.9300 . ?
C21 C22 1.403(9) . ?
C22 H22 0.9300 . ?
C22 C23 1.363(10) . ?
C23 H23 0.9300 . ?
C23 C24 1.355(9) . ?
C24 H24 0.9300 . ?
C24 C25 1.363(9) . ?
C25 H25 0.9300 . ?
C31 C32 1.370(6) . ?
C31 C36 1.390(6) . ?
C32 H32 0.9300 . ?
C32 C33 1.376(7) . ?
C33 H33 0.9300 . ?
C33 C34 1.362(7) . ?
C34 H34 0.9300 . ?
C34 C35 1.359(7) . ?
C35 H35 0.9300 . ?
C35 C36 1.385(7) . ?
C36 H36 0.9300 . ?
C41 C42 1.391(6) . ?
C41 C46 1.386(6) . ?
C42 H42 0.9300 . ?
C42 C43 1.368(7) . ?
C43 H43 0.9300 . ?
C43 C44 1.353(7) . ?
C44 H44 0.9300 . ?
C44 C45 1.365(8) . ?
C45 H45 0.9300 . ?
C45 C46 1.386(7) . ?
C46 H46 0.9300 . ?
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
P1 C11 C12 F12 -0.2(7) . . . . ?
P1 C11 C12 C13 178.1(4) . . . . ?
P1 C11 C16 C15 179.9(4) . . . . ?
P1 C11 C16 C17 -5.6(6) . . . . ?
P1 C31 C32 C33 173.6(4) . . . . ?
P1 C31 C36 C35 -173.4(4) . . . . ?
P1 C41 C42 C43 -178.6(4) . . . . ?
P1 C41 C46 C45 178.7(4) . . . . ?
Pt1 P1 C11 C12 -104.7(4) . . . . ?
Pt1 P1 C11 C16 73.6(4) . . . . ?
Pt1 P1 C31 C32 18.5(4) . . . . ?
Pt1 P1 C31 C36 -165.5(3) . . . . ?
Pt1 P1 C41 C42 12.4(5) . . . . ?
Pt1 P1 C41 C46 -164.2(3) . . . . ?
C11 P1 C31 C32 -104.6(4) . . . . ?
C11 P1 C31 C36 71.4(4) . . . . ?
C11 P1 C41 C42 136.5(4) . . . . ?
C11 P1 C41 C46 -40.0(4) . . . . ?
C11 C12 C13 F13 179.6(5) . . . . ?
C11 C12 C13 C14 1.4(9) . . . . ?
C11 C16 C17 C18 158.7(6) . . . . ?
C12 C11 C16 C15 -1.7(7) . . . . ?
C12 C11 C16 C17 172.8(5) . . . . ?
C12 C13 C14 F14 -179.6(5) . . . . ?
C12 C13 C14 C15 -0.6(10) . . . . ?
F12 C12 C13 F13 -1.9(8) . . . . ?
F12 C12 C13 C14 179.8(6) . . . . ?
C13 C14 C15 F15 179.0(6) . . . . ?
C13 C14 C15 C16 -1.5(10) . . . . ?
F13 C13 C14 F14 2.2(10) . . . . ?
F13 C13 C14 C15 -178.8(5) . . . . ?
C14 C15 C16 C11 2.6(8) . . . . ?
C14 C15 C16 C17 -172.0(5) . . . . ?
F14 C14 C15 F15 -2.0(9) . . . . ?
F14 C14 C15 C16 177.6(5) . . . . ?
C15 C16 C17 C18 -27.0(9) . . . . ?
F15 C15 C16 C11 -177.8(5) . . . . ?
F15 C15 C16 C17 7.6(8) . . . . ?
C16 C11 C12 F12 -178.5(5) . . . . ?
C16 C11 C12 C13 -0.2(8) . . . . ?
C16 C17 C18 C19 174.2(5) . . . . ?
C17 C18 C19 O19 11.3(10) . . . . ?
C17 C18 C19 C20 -165.5(6) . . . . ?
C18 C19 C20 C21 -14.2(9) . . . . ?
C18 C19 C20 C25 166.7(6) . . . . ?
C19 C20 C21 C22 -179.5(7) . . . . ?
C19 C20 C25 C24 178.8(6) . . . . ?
O19 C19 C20 C21 169.0(6) . . . . ?
O19 C19 C20 C25 -10.1(9) . . . . ?
C20 C21 C22 C23 -0.1(13) . . . . ?
C21 C20 C25 C24 -0.3(10) . . . . ?
C21 C22 C23 C24 1.5(14) . . . . ?
C22 C23 C24 C25 -2.3(13) . . . . ?
C23 C24 C25 C20 1.7(11) . . . . ?
C25 C20 C21 C22 -0.5(10) . . . . ?
C31 P1 C11 C12 16.1(5) . . . . ?
C31 P1 C11 C16 -165.6(4) . . . . ?
C31 P1 C41 C42 -112.1(4) . . . . ?
C31 P1 C41 C46 71.4(4) . . . . ?
C31 C32 C33 C34 1.3(8) . . . . ?
C32 C31 C36 C35 2.6(7) . . . . ?
C32 C33 C34 C35 -0.1(8) . . . . ?
C33 C34 C35 C36 0.2(9) . . . . ?
C34 C35 C36 C31 -1.5(8) . . . . ?
C36 C31 C32 C33 -2.5(7) . . . . ?
C41 P1 C11 C12 128.5(4) . . . . ?
C41 P1 C11 C16 -53.2(4) . . . . ?
C41 P1 C31 C32 147.4(3) . . . . ?
C41 P1 C31 C36 -36.6(4) . . . . ?
C41 C42 C43 C44 1.2(9) . . . . ?
C42 C41 C46 C45 2.0(8) . . . . ?
C42 C43 C44 C45 -0.5(10) . . . . ?
C43 C44 C45 C46 0.6(9) . . . . ?
C44 C45 C46 C41 -1.4(9) . . . . ?
C46 C41 C42 C43 -1.9(7) . . . . ?
