#------------------------------------------------------------------------------
#$Date: 2022-03-16 03:48:36 +0200 (Wed, 16 Mar 2022) $
#$Revision: 273714 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/45/7244598.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_7244598
loop_
_publ_author_name
'Yakubenko, Artyom A.'
'Puzyk, Aleksandra M.'
'Korostelev, Vladislav O.'
'Mulloyarova, Valeriia V.'
'Tupikina, Elena Yu.'
'Tolstoy, Peter'
'Antonov, Alexander S.'
_publ_section_title
;
 Self-association of diphenylpnictoginic acids in solution and solid
 state: covalent vs hydrogen bonding
;
_journal_name_full               'Physical Chemistry Chemical Physics'
_journal_paper_doi               10.1039/D2CP00286H
_journal_year                    2022
_chemical_formula_moiety         'C18 H15 Cl2 Sb'
_chemical_formula_sum            'C18 H15 Cl2 Sb'
_chemical_formula_weight         423.95
_chemical_name_systematic        'Triphenylantimony dichloride'
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2021-06-11
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-10-08 deposited with the CCDC.	2022-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.1810(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.12210(10)
_cell_length_b                   9.41070(10)
_cell_length_c                   15.8718(2)
_cell_measurement_reflns_used    14422
_cell_measurement_temperature    100.0(3)
_cell_measurement_theta_max      76.5660
_cell_measurement_theta_min      5.6010
_cell_volume                     1654.46(3)
_computing_cell_refinement       'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(3)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -63.00 -22.00   0.50    0.40    --  -47.44 101.00 147.00   82
  2  ω    -17.00  79.00   0.50    0.40    --   47.44-101.00  43.00  192
  3  ω   -171.00 -88.00   0.50    1.60    -- -106.00-101.00  43.00  166
  4  ω   -104.00 -66.00   0.50    1.60    -- -106.00 101.00 147.00   76
  5  ω     41.00  83.00   0.50    1.60    --  106.50-101.00  43.00   84
  6  ω    119.00 144.00   0.50    1.60    --  106.50 101.00 147.00   50
  7  ω   -114.00 -75.00   0.50    0.40    --  -47.44-125.00-180.00   78
  8  ω    -42.00  21.00   0.50    0.40    --  -47.44  37.00 -90.00  126
  9  ω     80.00 118.00   0.50    0.40    --   47.44 125.00 -30.00   76
 10  ω     75.00 102.00   0.50    0.40    --   47.44 125.00 -90.00   54
 11  ω    -71.00 -36.00   0.50    1.60    -- -106.00  61.00 -90.00   70
 12  ω   -172.00 -93.00   0.50    1.60    -- -106.00 -45.00  90.00  158
 13  ω    -71.00 -33.00   0.50    1.60    -- -106.00  61.00   0.00   76
 14  ω   -142.00 -76.00   0.50    1.60    -- -106.00-125.00-150.00  132
 15  ω    -70.00 -36.00   0.50    1.60    -- -106.00  61.00 -30.00   68
 16  ω    -62.00 -36.00   0.50    1.60    -- -106.00  61.00 150.00   52
 17  ω    -71.00 -33.00   0.50    1.60    -- -106.00  61.00 -60.00   76
 18  ω     45.00  70.00   0.50    1.60    --  106.50-125.00   0.00   50
 19  ω     45.00  94.00   0.50    1.60    --  106.50 -77.00  60.00   98
 20  ω     40.00  97.00   0.50    1.60    --  106.50 -94.00  60.00  114
 21  ω     37.00  69.00   0.50    1.60    --  106.50 -61.00  90.00   64
 22  ω     34.00  59.00   0.50    1.60    --  106.50 -61.00-180.00   50
 23  ω     76.00 102.00   0.50    1.60    --  106.50-101.00  43.00   52
 24  ω      2.00  28.00   0.50    0.40    --  -47.44  19.00-150.00   52
 25  ω    -41.00  26.00   0.50    0.40    --  -47.44  37.00-180.00  134
 26  ω    -23.00  22.00   0.50    0.40    --   47.44 -19.00  30.00   90
 27  ω     81.00 107.00   0.50    0.40    --   47.44 125.00 -60.00   52
 28  ω   -176.00-134.00   0.50    1.60    -- -106.00 -45.00 -30.00   84
 29  ω    -64.00 -38.00   0.50    1.60    -- -106.00  61.00 120.00   52
 30  ω    -59.00 -33.00   0.50    1.60    -- -106.00 125.00  90.00   52
 31  ω   -112.00 -78.00   0.50    1.60    -- -106.00 125.00 -60.00   68
 32  ω   -111.00 -69.00   0.50    1.60    -- -106.00 125.00 150.00   84
 33  ω   -131.00-105.00   0.50    1.60    -- -106.00 -61.00 -60.00   52
 34  ω   -129.00 -93.00   0.50    1.60    -- -106.00 -45.00 -30.00   72
 35  ω   -177.00-152.00   0.50    1.60    -- -106.00 -30.00-150.00   50
 36  ω   -143.00 -96.00   0.50    1.60    -- -106.00 -30.00-150.00   94
 37  ω   -175.00-150.00   0.50    1.60    -- -106.00 -61.00 -60.00   50
 38  ω   -108.00 -83.00   0.50    1.60    -- -106.00 114.00 -85.31   50
 39  ω     40.00  70.00   0.50    1.60    --  106.50 -61.00  60.00   60
 40  ω    149.00 176.00   0.50    1.60    --  106.50  45.00-150.00   54
 41  ω     69.00 107.00   0.50    1.60    --  106.50-125.00-120.00   76
 42  ω     76.00 107.00   0.50    1.60    --  106.50-106.00 -34.72   62
 43  ω     38.00  64.00   0.50    1.60    --  106.50 -61.00 -30.00   52
 44  ω     34.00  60.00   0.50    1.60    --  106.50 -61.00 120.00   52
 45  ω     42.00  68.00   0.50    1.60    --  106.50-125.00-120.00   52
 46  ω     39.00  64.00   0.50    1.60    --  106.50 -61.00   0.00   50
 47  ω     71.00 103.00   0.50    1.60    --  106.50 -94.00-150.00   64
 48  ω     95.00 178.00   0.50    1.60    --  106.50  30.00-120.00  166
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0491272000
_diffrn_orient_matrix_UB_12      -0.0144533000
_diffrn_orient_matrix_UB_13      0.0872482000
_diffrn_orient_matrix_UB_21      -0.0434103000
_diffrn_orient_matrix_UB_22      0.1555851000
_diffrn_orient_matrix_UB_23      -0.0055756000
_diffrn_orient_matrix_UB_31      -0.1226447000
_diffrn_orient_matrix_UB_32      -0.0492041000
_diffrn_orient_matrix_UB_33      -0.0429400000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19558
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.492
_diffrn_reflns_theta_max         67.492
_diffrn_reflns_theta_min         3.991
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    16.104
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.103a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_description       prism
_exptl_crystal_F_000             832
_exptl_crystal_recrystallization_method 'Solvent evaporation'
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.634
_refine_diff_density_min         -1.795
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0397
_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)+(0.0389P)²+9.1087P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0974
_refine_ls_wR_factor_ref         0.0995
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2798
_reflns_number_total             2985
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cp00286h3.cif
_cod_data_source_block           0ver0-19209_art-038
_cod_database_code               7244598
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C18 H17 Sb1 O2'
_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_max   0.565
_shelx_estimated_absorpt_t_min   0.359
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C12(H12), C2(H2), C11(H11), C8(H8), C14(H14), C10(H10),
 C17(H17), C3(H3), C18(H18), C4(H4), C15(H15), C16(H16), C9(H9)
;
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.538
_oxdiff_exptl_absorpt_empirical_full_min 0.624
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
Sb1 Sb 0.74790(3) 0.76820(3) 0.31947(2) 0.02959(13) Uani 1 1 d . . . . .
Cl2 Cl 0.52841(11) 0.72271(13) 0.32455(8) 0.0357(3) Uani 1 1 d . . . . .
Cl1 Cl 0.96689(17) 0.8051(2) 0.30595(13) 0.0700(5) Uani 1 1 d . . . . .
C1 C 0.7847(4) 0.5485(5) 0.3388(3) 0.0280(10) Uani 1 1 d . . . . .
C6 C 0.7024(4) 0.4439(5) 0.3109(3) 0.0301(10) Uani 1 1 d . . . . .
H6 H 0.6287 0.4689 0.2795 0.036 Uiso 1 1 calc R U . . .
C7 C 0.7132(5) 0.8637(5) 0.1991(3) 0.0315(10) Uani 1 1 d . . . . .
C5 C 0.7291(5) 0.3029(6) 0.3292(3) 0.0353(11) Uani 1 1 d . . . . .
H5 H 0.6737 0.2308 0.3095 0.042 Uiso 1 1 calc R U . . .
C12 C 0.7789(5) 0.9846(6) 0.1818(3) 0.0355(11) Uani 1 1 d . . . . .
H12 H 0.8367 1.0225 0.2235 0.043 Uiso 1 1 calc R U . . .
C2 C 0.8927(5) 0.5127(6) 0.3849(3) 0.0350(11) Uani 1 1 d . . . . .
H2 H 0.9493 0.5844 0.4032 0.042 Uiso 1 1 calc R U . . .
C13 C 0.7482(5) 0.8967(5) 0.4292(3) 0.0356(12) Uani 1 1 d . . . . .
C11 C 0.7593(5) 1.0494(6) 0.1030(4) 0.0411(13) Uani 1 1 d . . . . .
H11 H 0.8033 1.1322 0.0906 0.049 Uiso 1 1 calc R U . . .
C8 C 0.6281(5) 0.8070(6) 0.1391(3) 0.0373(12) Uani 1 1 d . . . . .
H8 H 0.5827 0.7255 0.1517 0.045 Uiso 1 1 calc R U . . .
C14 C 0.6518(5) 0.9837(6) 0.4418(4) 0.0419(13) Uani 1 1 d . . . . .
H14 H 0.5843 0.9884 0.4006 0.050 Uiso 1 1 calc R U . . .
C10 C 0.6750(5) 0.9920(7) 0.0426(3) 0.0443(14) Uani 1 1 d . . . . .
H10 H 0.6614 1.0358 -0.0113 0.053 Uiso 1 1 calc R U . . .
C17 C 0.8478(6) 0.9689(6) 0.5624(4) 0.0465(14) Uani 1 1 d . . . . .
H17 H 0.9147 0.9630 0.6039 0.056 Uiso 1 1 calc R U . . .
C3 C 0.9167(5) 0.3711(6) 0.4038(4) 0.0430(13) Uani 1 1 d . . . . .
H3 H 0.9895 0.3458 0.4363 0.052 Uiso 1 1 calc R U . . .
C18 C 0.8474(5) 0.8904(6) 0.4891(4) 0.0407(13) Uani 1 1 d . . . . .
H18 H 0.9146 0.8323 0.4795 0.049 Uiso 1 1 calc R U . . .
C4 C 0.8353(6) 0.2660(6) 0.3757(4) 0.0415(13) Uani 1 1 d . . . . .
H4 H 0.8525 0.1691 0.3885 0.050 Uiso 1 1 calc R U . . .
C15 C 0.6540(6) 1.0645(6) 0.5152(4) 0.0467(14) Uani 1 1 d . . . . .
H15 H 0.5884 1.1259 0.5238 0.056 Uiso 1 1 calc R U . . .
C16 C 0.7516(6) 1.0561(6) 0.5761(4) 0.0480(15) Uani 1 1 d . . . . .
H16 H 0.7522 1.1100 0.6267 0.058 Uiso 1 1 calc R U . . .
C9 C 0.6104(5) 0.8713(7) 0.0603(3) 0.0435(13) Uani 1 1 d . . . . .
H9 H 0.5536 0.8324 0.0182 0.052 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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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
Cl2 Sb1 Cl1 176.41(6) . . ?
C1 Sb1 Cl2 90.26(13) . . ?
C1 Sb1 Cl1 88.35(14) . . ?
C7 Sb1 Cl2 90.15(14) . . ?
C7 Sb1 Cl1 87.89(15) . . ?
C7 Sb1 C1 124.14(19) . . ?
C7 Sb1 C13 119.10(19) . . ?
C13 Sb1 Cl2 90.01(15) . . ?
C13 Sb1 Cl1 93.57(15) . . ?
C13 Sb1 C1 116.76(18) . . ?
C6 C1 Sb1 122.0(3) . . ?
C6 C1 C2 120.7(4) . . ?
C2 C1 Sb1 117.2(4) . . ?
C1 C6 H6 120.4 . . ?
C5 C6 C1 119.3(4) . . ?
C5 C6 H6 120.4 . . ?
C12 C7 Sb1 118.0(4) . . ?
C8 C7 Sb1 121.0(4) . . ?
C8 C7 C12 121.0(5) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 C6 120.7(5) . . ?
C4 C5 H5 119.7 . . ?
C7 C12 H12 120.2 . . ?
C11 C12 C7 119.6(5) . . ?
C11 C12 H12 120.2 . . ?
C1 C2 H2 120.4 . . ?
C3 C2 C1 119.1(5) . . ?
C3 C2 H2 120.4 . . ?
C14 C13 Sb1 121.0(4) . . ?
C14 C13 C18 120.4(5) . . ?
C18 C13 Sb1 118.7(4) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 C12 119.4(5) . . ?
C10 C11 H11 120.3 . . ?
C7 C8 H8 120.5 . . ?
C9 C8 C7 119.0(5) . . ?
C9 C8 H8 120.5 . . ?
C13 C14 H14 120.3 . . ?
C13 C14 C15 119.5(5) . . ?
C15 C14 H14 120.3 . . ?
C11 C10 H10 119.7 . . ?
C9 C10 C11 120.6(5) . . ?
C9 C10 H10 119.7 . . ?
C18 C17 H17 119.7 . . ?
C18 C17 C16 120.5(5) . . ?
C16 C17 H17 119.7 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.5(5) . . ?
C4 C3 H3 119.7 . . ?
C13 C18 H18 120.1 . . ?
C17 C18 C13 119.8(6) . . ?
C17 C18 H18 120.1 . . ?
C5 C4 C3 119.7(5) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(6) . . ?
C16 C15 H15 119.8 . . ?
C17 C16 C15 119.5(6) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.4(5) . . ?
C10 C9 H9 119.8 . . ?
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
Sb1 Cl2 2.4869(12) . ?
Sb1 Cl1 2.489(2) . ?
Sb1 C1 2.125(5) . ?
Sb1 C7 2.114(5) . ?
Sb1 C13 2.120(5) . ?
C1 C6 1.388(7) . ?
C1 C2 1.390(7) . ?
C6 H6 0.9500 . ?
C6 C5 1.385(7) . ?
C7 C12 1.393(8) . ?
C7 C8 1.387(7) . ?
C5 H5 0.9500 . ?
C5 C4 1.380(8) . ?
C12 H12 0.9500 . ?
C12 C11 1.390(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.387(8) . ?
C13 C14 1.378(8) . ?
C13 C18 1.391(7) . ?
C11 H11 0.9500 . ?
C11 C10 1.389(9) . ?
C8 H8 0.9500 . ?
C8 C9 1.387(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.390(9) . ?
C10 H10 0.9500 . ?
C10 C9 1.386(9) . ?
C17 H17 0.9500 . ?
C17 C18 1.378(8) . ?
C17 C16 1.381(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.387(8) . ?
C18 H18 0.9500 . ?
C4 H4 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.389(9) . ?
C16 H16 0.9500 . ?
C9 H9 0.9500 . ?
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
Sb1 C1 C6 C5 -176.7(4) . . . . ?
Sb1 C1 C2 C3 175.8(4) . . . . ?
Sb1 C7 C12 C11 179.4(4) . . . . ?
Sb1 C7 C8 C9 -178.5(4) . . . . ?
Sb1 C13 C14 C15 178.8(4) . . . . ?
Sb1 C13 C18 C17 -177.6(4) . . . . ?
C1 C6 C5 C4 0.9(8) . . . . ?
C1 C2 C3 C4 1.3(9) . . . . ?
C6 C1 C2 C3 -1.0(8) . . . . ?
C6 C5 C4 C3 -0.6(9) . . . . ?
C7 C12 C11 C10 -0.4(8) . . . . ?
C7 C8 C9 C10 -1.3(8) . . . . ?
C12 C7 C8 C9 1.1(8) . . . . ?
C12 C11 C10 C9 0.1(8) . . . . ?
C2 C1 C6 C5 -0.1(8) . . . . ?
C2 C3 C4 C5 -0.5(10) . . . . ?
C13 C14 C15 C16 -1.0(9) . . . . ?
C11 C10 C9 C8 0.8(9) . . . . ?
C8 C7 C12 C11 -0.2(8) . . . . ?
C14 C13 C18 C17 1.7(8) . . . . ?
C14 C15 C16 C17 1.3(9) . . . . ?
C18 C13 C14 C15 -0.5(8) . . . . ?
C18 C17 C16 C15 0.0(9) . . . . ?
C16 C17 C18 C13 -1.4(9) . . . . ?
