#------------------------------------------------------------------------------
#$Date: 2021-12-08 00:55:12 +0200 (Wed, 08 Dec 2021) $
#$Revision: 271249 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/93/7129347.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_7129347
loop_
_publ_author_name
'Demchuk, Mitchell J.'
'Zurakowski, Joseph A.'
'Austen, Brady J. H.'
'Nelson, David J.'
'Drover, Marcus W.'
_publ_section_title
;
 Competitive gold/nickel transmetalation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC06064C
_journal_year                    2021
_chemical_formula_moiety         'C20 H36 F I Ni P2'
_chemical_formula_sum            'C20 H36 F I Ni P2'
_chemical_formula_weight         543.04
_chemical_name_systematic        '[Ni(dnppe)(Ph-F)(I)]'
_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     dual
_audit_creation_date             2021-09-08
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-09-12 deposited with the CCDC.	2021-11-26 downloaded from the CCDC.
;
_cell_angle_alpha                95.226(2)
_cell_angle_beta                 93.002(2)
_cell_angle_gamma                116.8530(10)
_cell_formula_units_Z            2
_cell_length_a                   8.5374(3)
_cell_length_b                   9.2036(4)
_cell_length_c                   17.4252(7)
_cell_measurement_reflns_used    9932
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      53.44
_cell_measurement_theta_min      2.56
_cell_volume                     1209.71(8)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0178
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            30539
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        53.464
_diffrn_reflns_theta_max         53.464
_diffrn_reflns_theta_min         2.560
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.489
_exptl_absorpt_correction_T_max  0.7505
_exptl_absorpt_correction_T_min  0.6138
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'clear orangish orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_description       block
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.249
_refine_diff_density_min         -0.565
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     230
_refine_ls_number_reflns         2837
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0255
_refine_ls_R_factor_gt           0.0241
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0247P)²+1.3691P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0564
_refine_ls_wR_factor_ref         0.0569
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2742
_reflns_number_total             2837
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc06064c3.cif
_cod_data_source_block           final55
_cod_original_cell_volume        1209.70(8)
_cod_database_code               7129347
_shelx_shelxl_version_number     2018/3
_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, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C12(H12A,H12B),
 C13(H13A,H13B), C15(H15A,H15B), C16(H16A,H16B), C18(H18A,H18B), C19(H19A,H19B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6)
2.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C14(H14A,H14B,H14C), C17(H17A,H17B,H17C), C20(H20A,H20B,
 H20C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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
I1 I 0.22610(3) 0.31095(3) 0.37140(2) 0.03803(11) Uani 1 1 d . . . . .
Ni1 Ni 0.39610(7) 0.24380(6) 0.27311(3) 0.02369(15) Uani 1 1 d . . . . .
P1 P 0.63743(11) 0.36248(10) 0.35397(5) 0.0240(2) Uani 1 1 d . . . . .
P2 P 0.53486(11) 0.16078(11) 0.19756(5) 0.0261(2) Uani 1 1 d . . . . .
F1 F -0.2726(3) -0.0969(3) 0.04769(13) 0.0631(7) Uani 1 1 d . . . . .
C1 C 0.1889(4) 0.1326(4) 0.1983(2) 0.0272(8) Uani 1 1 d . . . . .
C2 C 0.1621(5) 0.2031(5) 0.1352(2) 0.0322(9) Uani 1 1 d . . . . .
H2 H 0.252294 0.306671 0.126231 0.039 Uiso 1 1 calc R U . . .
C3 C 0.0073(5) 0.1276(5) 0.0842(2) 0.0377(10) Uani 1 1 d . . . . .
H3 H -0.008554 0.178863 0.041648 0.045 Uiso 1 1 calc R U . . .
C4 C -0.1194(5) -0.0205(5) 0.0973(2) 0.0388(10) Uani 1 1 d . . . . .
C5 C -0.1031(5) -0.0972(5) 0.1584(2) 0.0415(10) Uani 1 1 d . . . . .
H5 H -0.194353 -0.201093 0.166328 0.050 Uiso 1 1 calc R U . . .
C6 C 0.0510(5) -0.0185(4) 0.2085(2) 0.0347(9) Uani 1 1 d . . . . .
H6 H 0.063008 -0.069828 0.251798 0.042 Uiso 1 1 calc R U . . .
C7 C 0.7550(5) 0.2133(4) 0.2454(2) 0.0313(9) Uani 1 1 d . . . . .
H7A H 0.748022 0.122829 0.274031 0.038 Uiso 1 1 calc R U . . .
H7B H 0.838330 0.227811 0.205838 0.038 Uiso 1 1 calc R U . . .
C8 C 0.8222(4) 0.3721(4) 0.3015(2) 0.0286(8) Uani 1 1 d . . . . .
H8A H 0.866340 0.468269 0.272583 0.034 Uiso 1 1 calc R U . . .
H8B H 0.920201 0.383038 0.338490 0.034 Uiso 1 1 calc R U . . .
C9 C 0.6262(4) 0.2397(4) 0.4326(2) 0.0284(8) Uani 1 1 d . . . . .
H9A H 0.527110 0.231809 0.461998 0.034 Uiso 1 1 calc R U . . .
H9B H 0.596166 0.127201 0.408868 0.034 Uiso 1 1 calc R U . . .
C10 C 0.7891(5) 0.2989(4) 0.4900(2) 0.0319(9) Uani 1 1 d . . . . .
H10A H 0.829026 0.415555 0.510129 0.038 Uiso 1 1 calc R U . . .
H10B H 0.885148 0.292050 0.462902 0.038 Uiso 1 1 calc R U . . .
C11 C 0.7549(5) 0.1988(5) 0.5574(2) 0.0420(10) Uani 1 1 d . . . . .
H11A H 0.717716 0.083537 0.537854 0.063 Uiso 1 1 calc R U . . .
H11B H 0.661529 0.206984 0.585061 0.063 Uiso 1 1 calc R U . . .
H11C H 0.863212 0.241109 0.592919 0.063 Uiso 1 1 calc R U . . .
C12 C 0.7123(5) 0.5703(4) 0.4024(2) 0.0289(8) Uani 1 1 d . . . . .
H12A H 0.630206 0.567908 0.440971 0.035 Uiso 1 1 calc R U . . .
H12B H 0.830183 0.608054 0.430884 0.035 Uiso 1 1 calc R U . . .
C13 C 0.7237(5) 0.6935(4) 0.3474(2) 0.0398(10) Uani 1 1 d . . . . .
H13A H 0.607015 0.655342 0.317743 0.048 Uiso 1 1 calc R U . . .
H13B H 0.809596 0.700468 0.310123 0.048 Uiso 1 1 calc R U . . .
C14 C 0.7808(6) 0.8634(5) 0.3918(3) 0.0506(11) Uani 1 1 d . . . . .
H14A H 0.792615 0.941263 0.354978 0.076 Uiso 1 1 calc R U . . .
H14B H 0.894476 0.899769 0.422498 0.076 Uiso 1 1 calc R U . . .
H14C H 0.691851 0.858070 0.426299 0.076 Uiso 1 1 calc R U . . .
C15 C 0.5779(5) 0.2381(5) 0.1042(2) 0.0368(9) Uani 1 1 d . . . . .
H15A H 0.645267 0.189094 0.077180 0.044 Uiso 1 1 calc R U . . .
H15B H 0.463302 0.199149 0.072513 0.044 Uiso 1 1 calc R U . . .
C16 C 0.6773(6) 0.4212(5) 0.1070(2) 0.0519(12) Uani 1 1 d . . . . .
H16A H 0.790106 0.462896 0.140398 0.062 Uiso 1 1 calc R U . . .
H16B H 0.607190 0.471798 0.130136 0.062 Uiso 1 1 calc R U . . .
C17 C 0.7154(8) 0.4710(6) 0.0255(3) 0.0781(16) Uani 1 1 d . . . . .
H17A H 0.603687 0.431736 -0.007278 0.117 Uiso 1 1 calc R U . . .
H17B H 0.786044 0.422134 0.002838 0.117 Uiso 1 1 calc R U . . .
H17C H 0.780658 0.590902 0.029069 0.117 Uiso 1 1 calc R U . . .
C18 C 0.4308(5) -0.0605(4) 0.1682(2) 0.0350(9) Uani 1 1 d . . . . .
H18A H 0.321571 -0.092220 0.133673 0.042 Uiso 1 1 calc R U . . .
H18B H 0.511386 -0.087185 0.137905 0.042 Uiso 1 1 calc R U . . .
C19 C 0.3841(6) -0.1631(5) 0.2353(2) 0.0439(10) Uani 1 1 d . . . . .
H19A H 0.494267 -0.142553 0.266334 0.053 Uiso 1 1 calc R U . . .
H19B H 0.314818 -0.127963 0.269308 0.053 Uiso 1 1 calc R U . . .
C20 C 0.2782(7) -0.3464(5) 0.2079(3) 0.0727(15) Uani 1 1 d . . . . .
H20A H 0.168694 -0.367513 0.177307 0.109 Uiso 1 1 calc R U . . .
H20B H 0.249652 -0.406701 0.252940 0.109 Uiso 1 1 calc R U . . .
H20C H 0.348006 -0.382750 0.175889 0.109 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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
P1 Ni1 I1 90.92(3) . . ?
P2 Ni1 I1 172.63(3) . . ?
P2 Ni1 P1 88.02(4) . . ?
C1 Ni1 I1 92.16(10) . . ?
C1 Ni1 P1 176.77(10) . . ?
C1 Ni1 P2 88.80(10) . . ?
C8 P1 Ni1 108.25(12) . . ?
C9 P1 Ni1 111.38(11) . . ?
C9 P1 C8 105.81(16) . . ?
C12 P1 Ni1 120.56(12) . . ?
C12 P1 C8 105.06(16) . . ?
C12 P1 C9 104.73(16) . . ?
C7 P2 Ni1 110.06(12) . . ?
C15 P2 Ni1 118.97(13) . . ?
C15 P2 C7 104.53(17) . . ?
C18 P2 Ni1 115.19(12) . . ?
C18 P2 C7 105.36(17) . . ?
C18 P2 C15 101.35(17) . . ?
C2 C1 Ni1 122.5(3) . . ?
C2 C1 C6 115.9(3) . . ?
C6 C1 Ni1 121.3(3) . . ?
C1 C2 H2 118.8 . . ?
C1 C2 C3 122.5(3) . . ?
C3 C2 H2 118.8 . . ?
C2 C3 H3 120.9 . . ?
C4 C3 C2 118.1(4) . . ?
C4 C3 H3 120.9 . . ?
C3 C4 F1 118.9(4) . . ?
C3 C4 C5 122.8(3) . . ?
C5 C4 F1 118.2(4) . . ?
C4 C5 H5 121.1 . . ?
C4 C5 C6 117.8(4) . . ?
C6 C5 H5 121.1 . . ?
C1 C6 H6 118.6 . . ?
C5 C6 C1 122.9(4) . . ?
C5 C6 H6 118.6 . . ?
P2 C7 H7A 109.7 . . ?
P2 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
C8 C7 P2 109.8(2) . . ?
C8 C7 H7A 109.7 . . ?
C8 C7 H7B 109.7 . . ?
P1 C8 H8A 110.1 . . ?
P1 C8 H8B 110.1 . . ?
C7 C8 P1 107.9(2) . . ?
C7 C8 H8A 110.1 . . ?
C7 C8 H8B 110.1 . . ?
H8A C8 H8B 108.4 . . ?
P1 C9 H9A 107.9 . . ?
P1 C9 H9B 107.9 . . ?
H9A C9 H9B 107.2 . . ?
C10 C9 P1 117.7(2) . . ?
C10 C9 H9A 107.9 . . ?
C10 C9 H9B 107.9 . . ?
C9 C10 H10A 109.2 . . ?
C9 C10 H10B 109.2 . . ?
C9 C10 C11 112.3(3) . . ?
H10A C10 H10B 107.9 . . ?
C11 C10 H10A 109.2 . . ?
C11 C10 H10B 109.2 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P1 C12 H12A 108.8 . . ?
P1 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
C13 C12 P1 113.7(3) . . ?
C13 C12 H12A 108.8 . . ?
C13 C12 H12B 108.8 . . ?
C12 C13 H13A 109.4 . . ?
C12 C13 H13B 109.4 . . ?
C12 C13 C14 111.1(3) . . ?
H13A C13 H13B 108.0 . . ?
C14 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
P2 C15 H15A 108.3 . . ?
P2 C15 H15B 108.3 . . ?
H15A C15 H15B 107.4 . . ?
C16 C15 P2 115.9(3) . . ?
C16 C15 H15A 108.3 . . ?
C16 C15 H15B 108.3 . . ?
C15 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
C15 C16 C17 111.2(4) . . ?
H16A C16 H16B 108.0 . . ?
C17 C16 H16A 109.4 . . ?
C17 C16 H16B 109.4 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
P2 C18 H18A 108.7 . . ?
P2 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
C19 C18 P2 114.4(3) . . ?
C19 C18 H18A 108.7 . . ?
C19 C18 H18B 108.7 . . ?
C18 C19 H19A 109.1 . . ?
C18 C19 H19B 109.1 . . ?
H19A C19 H19B 107.8 . . ?
C20 C19 C18 112.5(4) . . ?
C20 C19 H19A 109.1 . . ?
C20 C19 H19B 109.1 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
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
I1 Ni1 2.5100(6) . ?
Ni1 P1 2.1922(10) . ?
Ni1 P2 2.1255(10) . ?
Ni1 C1 1.938(3) . ?
P1 C8 1.836(3) . ?
P1 C9 1.832(3) . ?
P1 C12 1.824(3) . ?
P2 C7 1.845(3) . ?
P2 C15 1.824(4) . ?
P2 C18 1.824(4) . ?
F1 C4 1.376(4) . ?
C1 C2 1.385(5) . ?
C1 C6 1.393(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.397(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.353(6) . ?
C4 C5 1.364(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.386(5) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.532(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.518(5) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.519(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.524(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.526(6) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.500(6) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.538(6) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.525(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.523(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
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
Ni1 P1 C8 C7 -37.6(3) . . . . ?
Ni1 P1 C9 C10 175.3(2) . . . . ?
Ni1 P1 C12 C13 -51.2(3) . . . . ?
Ni1 P2 C7 C8 -31.0(3) . . . . ?
Ni1 P2 C15 C16 56.9(3) . . . . ?
Ni1 P2 C18 C19 -52.5(3) . . . . ?
Ni1 C1 C2 C3 -175.5(3) . . . . ?
Ni1 C1 C6 C5 176.4(3) . . . . ?
P1 C9 C10 C11 172.8(3) . . . . ?
P1 C12 C13 C14 178.0(3) . . . . ?
P2 C7 C8 P1 42.5(3) . . . . ?
P2 C15 C16 C17 176.5(3) . . . . ?
P2 C18 C19 C20 173.2(3) . . . . ?
F1 C4 C5 C6 -179.4(3) . . . . ?
C1 C2 C3 C4 -0.6(5) . . . . ?
C2 C1 C6 C5 1.4(5) . . . . ?
C2 C3 C4 F1 -179.9(3) . . . . ?
C2 C3 C4 C5 1.0(6) . . . . ?
C3 C4 C5 C6 -0.2(6) . . . . ?
C4 C5 C6 C1 -1.0(6) . . . . ?
C6 C1 C2 C3 -0.6(5) . . . . ?
C7 P2 C15 C16 -66.4(3) . . . . ?
C7 P2 C18 C19 68.9(3) . . . . ?
C8 P1 C9 C10 57.9(3) . . . . ?
C8 P1 C12 C13 71.2(3) . . . . ?
C9 P1 C8 C7 81.9(3) . . . . ?
C9 P1 C12 C13 -177.5(3) . . . . ?
C12 P1 C8 C7 -167.6(2) . . . . ?
C12 P1 C9 C10 -52.8(3) . . . . ?
C15 P2 C7 C8 97.9(3) . . . . ?
C15 P2 C18 C19 177.6(3) . . . . ?
C18 P2 C7 C8 -155.8(2) . . . . ?
C18 P2 C15 C16 -175.7(3) . . . . ?
