#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:18:46 +0200 (mar 06 de oct de 2020) $
#$Revision: 257792 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/96/7059672.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_7059672
loop_
_publ_author_name
'Ling, Irene'
'Skelton, Brian W.'
'Sobolev, Alexandre N.'
'Alias, Yatimah'
'Khor, Zong Chin'
'Raston, Colin L.'
_publ_section_title
;
 Effect of anions on the solid-state interplay of symmetric and
 unsymmetric phosphonium cations
;
_journal_issue                   25
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10220
_journal_page_last               10228
_journal_paper_doi               10.1039/D0NJ01975E
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C25 H22 P, B F4'
_chemical_formula_sum            'C25 H22 B F4 P'
_chemical_formula_weight         440.20
_chemical_melting_point          477.6(15)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-02-25 deposited with the CCDC.	2020-05-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.748(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5047(2)
_cell_length_b                   21.5886(5)
_cell_length_c                   11.1289(3)
_cell_measurement_reflns_used    14894
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.1858
_cell_measurement_theta_min      2.8248
_cell_volume                     2174.89(10)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    'X-Seed v. 4.0 (Barbour, 2001)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0009
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type
'Oxford Diffraction Xcalibur-S, Sapphire3 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            49312
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        30.000
_diffrn_reflns_theta_max         32.258
_diffrn_reflns_theta_min         2.937
_exptl_absorpt_coefficient_mu    0.170
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.847
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_description       blade
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.677
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         7373
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0786
_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)+(0.0300P)²+7.1000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1660
_refine_ls_wR_factor_ref         0.1698
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6785
_reflns_number_total             7373
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj01975e1.cif
_cod_data_source_block           080528b7
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value '203-206 C' was changed to
'477.6(15)' -- it was converted from degrees Celsius (C) to kelvins
(K), the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7059666--7059672.cif.

 Adding full bibliography for 7059666--7059672.cif.
;
_cod_original_cell_volume        2174.89(1)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7059672
_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.
;
_shelx_estimated_absorpt_t_min   0.935
_shelx_estimated_absorpt_t_max   0.970
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
P1 P 0.56883(6) 0.13987(3) 0.63979(6) 0.01720(12) Uani 1 1 d . . . . .
C1 C 0.4708(2) 0.06698(10) 0.6019(2) 0.0180(4) Uani 1 1 d . . . . .
H1A H 0.417167 0.066058 0.510468 0.022 Uiso 1 1 calc R U . . .
H1B H 0.543517 0.032729 0.620192 0.022 Uiso 1 1 calc R U . . .
C11 C 0.6669(2) 0.14133(11) 0.8043(2) 0.0194(4) Uani 1 1 d . . . . .
C12 C 0.8154(3) 0.12285(11) 0.8439(2) 0.0219(4) Uani 1 1 d . . . . .
H12 H 0.865824 0.115684 0.783438 0.026 Uiso 1 1 calc R U . . .
C13 C 0.8884(3) 0.11509(12) 0.9710(2) 0.0246(5) Uani 1 1 d . . . . .
H13 H 0.989074 0.102736 0.997672 0.030 Uiso 1 1 calc R U . . .
C14 C 0.8155(3) 0.12522(12) 1.0598(2) 0.0266(5) Uani 1 1 d . . . . .
H14 H 0.866359 0.119807 1.146973 0.032 Uiso 1 1 calc R U . . .
C15 C 0.6678(3) 0.14332(12) 1.0215(2) 0.0269(5) Uani 1 1 d . . . . .
H15 H 0.618305 0.150358 1.082617 0.032 Uiso 1 1 calc R U . . .
C16 C 0.5929(3) 0.15110(11) 0.8943(2) 0.0234(5) Uani 1 1 d . . . . .
H16 H 0.491840 0.162992 0.868167 0.028 Uiso 1 1 calc R U . . .
C21 C 0.6974(2) 0.14687(10) 0.5510(2) 0.0183(4) Uani 1 1 d . . . . .
C22 C 0.7108(3) 0.10111(11) 0.4671(2) 0.0229(4) Uani 1 1 d . . . . .
H22 H 0.651787 0.064790 0.456056 0.028 Uiso 1 1 calc R U . . .
C23 C 0.8115(3) 0.10879(12) 0.3991(2) 0.0255(5) Uani 1 1 d . . . . .
H23 H 0.820689 0.077743 0.341510 0.031 Uiso 1 1 calc R U . . .
C24 C 0.8979(3) 0.16185(12) 0.4160(2) 0.0256(5) Uani 1 1 d . . . . .
H24 H 0.966459 0.166879 0.369975 0.031 Uiso 1 1 calc R U . . .
C25 C 0.8848(3) 0.20757(12) 0.4995(3) 0.0276(5) Uani 1 1 d . . . . .
H25 H 0.944123 0.243781 0.510407 0.033 Uiso 1 1 calc R U . . .
C26 C 0.7844(3) 0.20035(11) 0.5673(3) 0.0253(5) Uani 1 1 d . . . . .
H26 H 0.775093 0.231623 0.624490 0.030 Uiso 1 1 calc R U . . .
C31 C 0.4426(3) 0.20372(11) 0.5945(2) 0.0215(4) Uani 1 1 d . . . . .
C32 C 0.3426(3) 0.20253(12) 0.4725(3) 0.0267(5) Uani 1 1 d . . . . .
H32 H 0.336379 0.167046 0.420704 0.032 Uiso 1 1 calc R U . . .
C33 C 0.2522(3) 0.25361(14) 0.4274(3) 0.0342(6) Uani 1 1 d . . . . .
H33 H 0.183895 0.252994 0.344849 0.041 Uiso 1 1 calc R U . . .
C34 C 0.2622(3) 0.30533(14) 0.5036(4) 0.0397(7) Uani 1 1 d . . . . .
H34 H 0.201147 0.340256 0.472479 0.048 Uiso 1 1 calc R U . . .
C35 C 0.3600(4) 0.30651(13) 0.6241(3) 0.0387(7) Uani 1 1 d . . . . .
H35 H 0.364938 0.341993 0.675680 0.046 Uiso 1 1 calc R U . . .
C36 C 0.4520(3) 0.25585(12) 0.6707(3) 0.0297(5) Uani 1 1 d . . . . .
H36 H 0.520155 0.256872 0.753354 0.036 Uiso 1 1 calc R U . . .
C41 C 0.3619(2) 0.05617(10) 0.6745(2) 0.0178(4) Uani 1 1 d . . . . .
C42 C 0.2133(3) 0.07168(12) 0.6213(2) 0.0232(4) Uani 1 1 d . . . . .
H42 H 0.180598 0.089823 0.539691 0.028 Uiso 1 1 calc R U . . .
C43 C 0.1128(3) 0.06064(13) 0.6876(3) 0.0269(5) Uani 1 1 d . . . . .
H43 H 0.011490 0.070613 0.650292 0.032 Uiso 1 1 calc R U . . .
C44 C 0.1600(3) 0.03517(12) 0.8076(3) 0.0260(5) Uani 1 1 d . . . . .
H44 H 0.091464 0.028441 0.853084 0.031 Uiso 1 1 calc R U . . .
C45 C 0.3074(3) 0.01955(12) 0.8611(2) 0.0239(5) Uani 1 1 d . . . . .
H45 H 0.339869 0.002110 0.943376 0.029 Uiso 1 1 calc R U . . .
C46 C 0.4085(3) 0.02939(11) 0.7943(2) 0.0216(4) Uani 1 1 d . . . . .
H46 H 0.508994 0.017852 0.830569 0.026 Uiso 1 1 calc R U . . .
B1 B 0.2207(3) 0.05262(12) 0.2513(3) 0.0207(5) Uani 1 1 d . . . . .
F1 F 0.20196(19) 0.00124(8) 0.31879(17) 0.0361(4) Uani 1 1 d . . . . .
F2 F 0.37044(16) 0.07129(7) 0.29901(15) 0.0274(3) Uani 1 1 d . . . . .
F3 F 0.1902(2) 0.03882(9) 0.12451(16) 0.0391(4) Uani 1 1 d . . . . .
F4 F 0.13282(18) 0.10155(8) 0.26775(17) 0.0347(4) 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'
B B 0.0013 0.0007 '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'
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 C31 111.72(11) . . ?
C11 P1 C21 109.46(10) . . ?
C31 P1 C21 106.80(10) . . ?
C11 P1 C1 108.95(11) . . ?
C31 P1 C1 110.43(11) . . ?
C21 P1 C1 109.44(10) . . ?
C41 C1 P1 113.40(15) . . ?
C41 C1 H1A 108.9 . . ?
P1 C1 H1A 108.9 . . ?
C41 C1 H1B 108.9 . . ?
P1 C1 H1B 108.9 . . ?
H1A C1 H1B 107.7 . . ?
C12 C11 C16 119.6(2) . . ?
C12 C11 P1 118.55(17) . . ?
C16 C11 P1 121.07(18) . . ?
C13 C12 C11 119.9(2) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 C14 120.4(2) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C15 120.1(2) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 120.2(2) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C11 119.8(2) . . ?
C15 C16 H16 120.1 . . ?
C11 C16 H16 120.1 . . ?
C22 C21 C26 120.1(2) . . ?
C22 C21 P1 121.74(17) . . ?
C26 C21 P1 118.14(17) . . ?
C21 C22 C23 119.8(2) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 119.9(2) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C25 C24 C23 120.5(2) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C26 120.0(2) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 C21 119.8(2) . . ?
C25 C26 H26 120.1 . . ?
C21 C26 H26 120.1 . . ?
C36 C31 C32 120.2(2) . . ?
C36 C31 P1 122.3(2) . . ?
C32 C31 P1 117.16(19) . . ?
C33 C32 C31 119.8(3) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C34 C33 C32 119.8(3) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C35 C34 C33 120.6(3) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C34 C35 C36 120.4(3) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C31 C36 C35 119.2(3) . . ?
C31 C36 H36 120.4 . . ?
C35 C36 H36 120.4 . . ?
C42 C41 C46 119.3(2) . . ?
C42 C41 C1 120.4(2) . . ?
C46 C41 C1 120.3(2) . . ?
C43 C42 C41 120.2(2) . . ?
C43 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
C44 C43 C42 120.3(2) . . ?
C44 C43 H43 119.8 . . ?
C42 C43 H43 119.8 . . ?
C43 C44 C45 119.9(2) . . ?
C43 C44 H44 120.1 . . ?
C45 C44 H44 120.1 . . ?
C44 C45 C46 120.2(2) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C41 C46 C45 120.1(2) . . ?
C41 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
F1 B1 F3 111.1(2) . . ?
F1 B1 F4 110.8(2) . . ?
F3 B1 F4 110.5(2) . . ?
F1 B1 F2 107.8(2) . . ?
F3 B1 F2 108.5(2) . . ?
F4 B1 F2 108.0(2) . . ?
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
P1 C11 1.784(2) . ?
P1 C31 1.796(2) . ?
P1 C21 1.797(2) . ?
P1 C1 1.812(2) . ?
C1 C41 1.513(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C11 C12 1.402(3) . ?
C11 C16 1.404(3) . ?
C12 C13 1.383(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.386(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.392(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.387(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C22 1.391(3) . ?
C21 C26 1.399(3) . ?
C22 C23 1.399(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.387(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.394(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C36 1.396(3) . ?
C31 C32 1.399(4) . ?
C32 C33 1.394(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.380(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.398(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C42 1.395(3) . ?
C41 C46 1.396(3) . ?
C42 C43 1.394(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.387(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.387(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.398(3) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
B1 F1 1.381(3) . ?
B1 F3 1.384(3) . ?
B1 F4 1.393(3) . ?
B1 F2 1.417(3) . ?
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 P1 C1 C41 59.11(19) . . . . ?
C31 P1 C1 C41 -63.94(19) . . . . ?
C21 P1 C1 C41 178.76(16) . . . . ?
C31 P1 C11 C12 -143.03(18) . . . . ?
C21 P1 C11 C12 -24.9(2) . . . . ?
C1 P1 C11 C12 94.7(2) . . . . ?
C31 P1 C11 C16 47.0(2) . . . . ?
C21 P1 C11 C16 165.04(19) . . . . ?
C1 P1 C11 C16 -75.3(2) . . . . ?
C16 C11 C12 C13 -0.7(4) . . . . ?
P1 C11 C12 C13 -170.91(19) . . . . ?
C11 C12 C13 C14 0.3(4) . . . . ?
C12 C13 C14 C15 0.0(4) . . . . ?
C13 C14 C15 C16 0.2(4) . . . . ?
C14 C15 C16 C11 -0.7(4) . . . . ?
C12 C11 C16 C15 1.0(4) . . . . ?
P1 C11 C16 C15 170.88(19) . . . . ?
C11 P1 C21 C22 119.9(2) . . . . ?
C31 P1 C21 C22 -119.0(2) . . . . ?
C1 P1 C21 C22 0.6(2) . . . . ?
C11 P1 C21 C26 -60.6(2) . . . . ?
C31 P1 C21 C26 60.5(2) . . . . ?
C1 P1 C21 C26 -179.91(19) . . . . ?
C26 C21 C22 C23 -0.1(4) . . . . ?
P1 C21 C22 C23 179.4(2) . . . . ?
C21 C22 C23 C24 0.3(4) . . . . ?
C22 C23 C24 C25 -0.3(4) . . . . ?
C23 C24 C25 C26 0.1(4) . . . . ?
C24 C25 C26 C21 0.1(4) . . . . ?
C22 C21 C26 C25 -0.1(4) . . . . ?
P1 C21 C26 C25 -179.6(2) . . . . ?
C11 P1 C31 C36 16.5(2) . . . . ?
C21 P1 C31 C36 -103.1(2) . . . . ?
C1 P1 C31 C36 138.0(2) . . . . ?
C11 P1 C31 C32 -170.18(18) . . . . ?
C21 P1 C31 C32 70.2(2) . . . . ?
C1 P1 C31 C32 -48.8(2) . . . . ?
C36 C31 C32 C33 -0.1(4) . . . . ?
P1 C31 C32 C33 -173.5(2) . . . . ?
C31 C32 C33 C34 0.2(4) . . . . ?
C32 C33 C34 C35 -0.6(4) . . . . ?
C33 C34 C35 C36 0.8(4) . . . . ?
C32 C31 C36 C35 0.3(4) . . . . ?
P1 C31 C36 C35 173.4(2) . . . . ?
C34 C35 C36 C31 -0.7(4) . . . . ?
P1 C1 C41 C42 95.2(2) . . . . ?
P1 C1 C41 C46 -86.1(2) . . . . ?
C46 C41 C42 C43 0.2(4) . . . . ?
C1 C41 C42 C43 178.9(2) . . . . ?
C41 C42 C43 C44 1.1(4) . . . . ?
C42 C43 C44 C45 -1.2(4) . . . . ?
C43 C44 C45 C46 0.0(4) . . . . ?
C42 C41 C46 C45 -1.4(4) . . . . ?
C1 C41 C46 C45 179.9(2) . . . . ?
C44 C45 C46 C41 1.3(4) . . . . ?
