#------------------------------------------------------------------------------
#$Date: 2024-12-06 20:30:55 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296534 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/26/1572683.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_1572683
loop_
_publ_author_name
'Murali, Anna Chandrasekar'
'Panda, Rudrashish'
'Kannan, Ramkumar'
'Das, Ritwick'
'Venkatasubbaiah, Krishnan'
_publ_section_title
;
 O,S-Chelated bis(pentafluorophenyl)boron and
 diphenylboron-β-thioketonates: synthesis, photophysical,
 electrochemical and NLO properties.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17263
_journal_page_last               17271
_journal_paper_doi               10.1039/d4dt02471k
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C28 H13 B F10 O S'
_chemical_formula_sum            'C28 H13 B F10 O S'
_chemical_formula_weight         598.25
_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     iterative
_audit_creation_date             2024-04-25
_audit_creation_method
;
Olex2 1.2-alpha
(compiled 2018.07.26 svn.r3523 for OlexSys, GUI svn.r5532)
;
_audit_update_record
;
2024-08-30 deposited with the CCDC.	2024-09-24 downloaded from the CCDC.
;
_cell_angle_alpha                112.846(3)
_cell_angle_beta                 104.805(4)
_cell_angle_gamma                93.529(3)
_cell_formula_units_Z            2
_cell_length_a                   9.0473(3)
_cell_length_b                   11.9367(3)
_cell_length_c                   12.7968(5)
_cell_measurement_reflns_used    14156
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      77.9870
_cell_measurement_theta_min      3.9520
_cell_volume                     1211.08(8)
_computing_cell_refinement       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_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_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -62.00  26.00   0.50    0.31    --  -38.50  78.00 -37.00  176
  2  ω    103.00 172.00   0.50    1.24    --  107.46  78.00 -37.00  138
  3  ω     43.00 131.00   0.50    1.24    --  107.46 -78.00-162.00  176
  4  ω    -86.00  -6.00   0.50    0.31    --  -38.50 125.00  60.00  160
  5  ω   -102.00 -20.00   0.50    0.31    --  -38.50 -71.00-137.36  164
  6  ω   -101.00 -27.00   0.50    0.31    --  -38.50 -57.00-180.00  148
  7  ω     46.00 116.00   0.50    0.31    --   49.06  37.00   0.00  140
  8  ω    -17.00  52.00   0.50    0.31    --   49.06 -37.00-120.00  138
  9  ω    -16.00  73.00   0.50    0.31    --   49.06 -78.00-162.00  178
 10  ω     34.00 112.00   0.50    0.31    --   49.06  64.00  35.48  156
 11  ω     39.00 107.00   0.50    1.24    --  107.46 -94.00-150.00  136
 12  ω     95.00 170.00   0.50    1.24    --  107.46  61.00 -60.00  150
 13  ω     43.00 112.00   0.50    1.24    --  107.46 -45.00-180.00  138
 14  ω    103.00 172.00   0.50    1.24    --  107.46  45.00 -60.00  138
 15  ω     39.00 107.00   0.50    1.24    --  107.46 -94.00  30.00  136
 16  ω     39.00 107.00   0.50    1.24    --  107.46 -94.00-180.00  136
 17  ω     39.00 107.00   0.50    1.24    --  107.46 -94.00  60.00  136
 18  ω     45.00 113.00   0.50    1.24    --  107.46-125.00-150.00  136
 19  ω    103.00 172.00   0.50    1.24    --  107.46  77.00 -30.00  138
 20  ω     40.00 108.00   0.50    1.24    --  107.46-105.00 -21.44  136
 21  ω    103.00 172.00   0.50    1.24    --  107.46  77.00 -90.00  138
 22  ω     97.00 170.00   0.50    1.24    --  107.46 125.00  30.00  146
 23  ω     39.00 111.00   0.50    1.24    --  107.46 -30.00  30.00  144
 24  ω     39.00 107.00   0.50    1.24    --  107.46 -94.00 -30.00  136
 25  ω     45.00 121.00   0.50    1.24    --  107.46 -61.00   0.00  152
 26  ω     99.00 176.00   0.50    1.24    --  107.46  15.00-120.00  154
 27  ω     43.00 112.00   0.50    1.24    --  107.46 -45.00 -90.00  138
 28  ω     43.00 131.00   0.50    1.24    --  107.46 -77.00  60.00  176
 29  ω     39.00 111.00   0.50    1.24    --  107.46 -30.00 -90.00  144
 30  ω    103.00 172.00   0.50    1.24    --  107.46  77.00-180.00  138
 31  ω     39.00 116.00   0.50    1.24    --  107.46 -15.00 -30.00  154
 32  ω   -101.00 -22.00   0.50    0.31    --  -38.50 -67.00 -64.34  158
 33  ω     31.00 112.00   0.50    0.31    --   49.06  71.00 179.88  162
 34  ω     32.00 112.00   0.50    0.31    --   49.06  68.00 109.69  160
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0052032000
_diffrn_orient_matrix_UB_12      0.1188533000
_diffrn_orient_matrix_UB_13      -0.0206151000
_diffrn_orient_matrix_UB_21      0.0445139000
_diffrn_orient_matrix_UB_22      -0.0672869000
_diffrn_orient_matrix_UB_23      -0.1142383000
_diffrn_orient_matrix_UB_31      -0.1733659000
_diffrn_orient_matrix_UB_32      -0.0402457000
_diffrn_orient_matrix_UB_33      -0.0729734000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18134
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.713
_diffrn_reflns_theta_min         3.934
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.117
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.89a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_preparation       Dichloromethane/n-hexane
_exptl_crystal_recrystallization_method 'Slow evaporation'
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.520
_refine_diff_density_min         -0.479
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       0.0027(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         5052
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0558
_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)+(0.1014P)²+0.9577P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1540
_refine_ls_wR_factor_ref         0.1564
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4787
_reflns_number_total             5052
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02471k2.cif
_cod_data_source_block           kv_acm_ar_6_auto
_cod_depositor_comments
'Adding full bibliography for 1572679--1572683.cif.'
_cod_database_code               1572683
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H S O B F'
_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   0.816
_shelx_estimated_absorpt_t_min   0.785
_diffrn_oxdiff_digest_frames
;
010c848b99ee26b52c71b9611845d65ef3000371241
;
_diffrn_oxdiff_digest_hkl
;
01452ea1f92534b068a45bb8ee9fd999b3481c
;
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C6(H6), C2(H2), C8(H8), C16(H16), C14(H14), C5(H5),
 C9(H9), C15(H15)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C)
;
_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 2.736
_oxdiff_exptl_absorpt_empirical_full_min 0.534
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
S1 S 0.19690(6) 0.47308(4) 0.08368(4) 0.02328(16) Uani 1 1 d . . . . .
F6 F 0.42184(14) 0.50426(11) 0.33089(11) 0.0294(3) Uani 1 1 d . . . . .
F5 F -0.08316(16) 0.46087(12) 0.34709(12) 0.0322(3) Uani 1 1 d . . . . .
F1 F 0.29305(15) 0.70205(11) 0.28470(12) 0.0313(3) Uani 1 1 d . . . . .
F10 F -0.01773(15) 0.18424(12) 0.16534(13) 0.0347(3) Uani 1 1 d . . . . .
F2 F 0.27759(17) 0.89886(12) 0.47018(14) 0.0398(4) Uani 1 1 d . . . . .
O1 O -0.06510(16) 0.39189(13) 0.12601(13) 0.0228(3) Uani 1 1 d . . . . .
F4 F -0.09933(19) 0.66037(15) 0.52944(13) 0.0430(4) Uani 1 1 d . . . . .
F9 F 0.14903(18) 0.05271(13) 0.25866(15) 0.0409(4) Uani 1 1 d . . . . .
F7 F 0.58851(16) 0.36903(14) 0.42269(13) 0.0395(4) Uani 1 1 d . . . . .
F3 F 0.0853(2) 0.88046(14) 0.59776(14) 0.0466(4) Uani 1 1 d . . . . .
F8 F 0.45294(19) 0.14232(14) 0.39025(14) 0.0435(4) Uani 1 1 d . . . . .
C12 C 0.1314(3) 0.2001(2) -0.2416(2) 0.0269(4) Uani 1 1 d . . . . .
H12 H 0.045509 0.143021 -0.251488 0.032 Uiso 1 1 calc R . . . .
C22 C 0.0093(3) 0.5675(2) 0.37409(19) 0.0270(4) Uani 1 1 d . . . . .
C13 C 0.2030(3) 0.1736(2) -0.3301(2) 0.0316(5) Uani 1 1 d . . . . .
H13 H 0.166654 0.097936 -0.399444 0.038 Uiso 1 1 calc R . . . .
C11 C 0.1845(2) 0.30998(18) -0.13797(19) 0.0238(4) Uani 1 1 d . . . . .
C23 C 0.1941(2) 0.35128(18) 0.24131(18) 0.0236(4) Uani 1 1 d . . . . .
C3 C -0.1142(2) 0.30046(17) 0.02166(19) 0.0229(4) Uani 1 1 d . . . . .
C28 C 0.1325(2) 0.23444(19) 0.22625(19) 0.0257(4) Uani 1 1 d . . . . .
C4 C -0.2757(2) 0.23904(18) -0.00959(19) 0.0233(4) Uani 1 1 d . . . . .
C17 C 0.1044(2) 0.57089(18) 0.30518(19) 0.0239(4) Uani 1 1 d . . . . .
C6 C -0.4960(3) 0.2070(2) 0.0562(2) 0.0290(5) Uani 1 1 d . . . . .
H6 H -0.544480 0.228938 0.117300 0.035 Uiso 1 1 calc R . . . .
C21 C 0.0010(3) 0.6690(2) 0.4708(2) 0.0325(5) Uani 1 1 d . . . . .
C25 C 0.4382(3) 0.3243(2) 0.3590(2) 0.0292(5) Uani 1 1 d . . . . .
C27 C 0.2178(3) 0.1640(2) 0.2748(2) 0.0306(5) Uani 1 1 d . . . . .
C24 C 0.3492(3) 0.39171(19) 0.30976(19) 0.0258(4) Uani 1 1 d . . . . .
C2 C -0.0227(2) 0.26476(18) -0.05491(19) 0.0248(4) Uani 1 1 d . . . . .
H2 H -0.054314 0.185517 -0.119896 0.030 Uiso 1 1 calc R . . . .
C8 C -0.5035(2) 0.08668(19) -0.1451(2) 0.0267(4) Uani 1 1 d . . . . .
H8 H -0.556737 0.024942 -0.222499 0.032 Uiso 1 1 calc R . . . .
C7 C -0.5748(2) 0.11316(18) -0.0558(2) 0.0254(4) Uani 1 1 d . . . . .
C26 C 0.3699(3) 0.2087(2) 0.3414(2) 0.0332(5) Uani 1 1 d . . . . .
C20 C 0.0939(3) 0.7802(2) 0.5048(2) 0.0345(5) Uani 1 1 d . . . . .
C1 C 0.1117(2) 0.33891(18) -0.04101(19) 0.0227(4) Uani 1 1 d . . . . .
C19 C 0.1914(3) 0.7894(2) 0.4408(2) 0.0311(5) Uani 1 1 d . . . . .
C16 C 0.3096(3) 0.3927(2) -0.1280(2) 0.0315(5) Uani 1 1 d . . . . .
H16 H 0.347537 0.468222 -0.058660 0.038 Uiso 1 1 calc R . . . .
C14 C 0.3273(3) 0.2567(2) -0.3184(2) 0.0349(5) Uani 1 1 d . . . . .
H14 H 0.376161 0.238195 -0.379086 0.042 Uiso 1 1 calc R . . . .
C5 C -0.3486(3) 0.2686(2) 0.0796(2) 0.0287(4) Uani 1 1 d . . . . .
H5 H -0.296376 0.331430 0.156746 0.034 Uiso 1 1 calc R . . . .
C18 C 0.1952(3) 0.68556(19) 0.3431(2) 0.0266(4) Uani 1 1 d . . . . .
C9 C -0.3569(2) 0.14850(19) -0.1231(2) 0.0256(4) Uani 1 1 d . . . . .
H9 H -0.310960 0.129361 -0.185582 0.031 Uiso 1 1 calc R . . . .
C15 C 0.3787(3) 0.3663(3) -0.2174(2) 0.0376(5) Uani 1 1 d . . . . .
H15 H 0.462499 0.424172 -0.209322 0.045 Uiso 1 1 calc R . . . .
B1 B 0.1018(3) 0.4443(2) 0.1931(2) 0.0235(4) Uani 1 1 d . . . . .
C10 C -0.7292(3) 0.0414(2) -0.0768(2) 0.0325(5) Uani 1 1 d . . . . .
H10A H -0.714175 -0.017239 -0.040256 0.049 Uiso 1 1 calc GR . . . .
H10B H -0.780421 -0.003856 -0.162566 0.049 Uiso 1 1 calc GR . . . .
H10C H -0.794257 0.098352 -0.041269 0.049 Uiso 1 1 calc GR . . . .
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'
B B 0.0090 0.0039 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
C1 S1 B1 99.31(10) . . ?
C3 O1 B1 124.10(17) . . ?
C13 C12 C11 120.7(2) . . ?
F5 C22 C17 120.10(19) . . ?
F5 C22 C21 116.2(2) . . ?
C21 C22 C17 123.7(2) . . ?
C12 C13 C14 120.6(2) . . ?
C12 C11 C1 121.55(18) . . ?
C12 C11 C16 117.8(2) . . ?
C16 C11 C1 120.64(19) . . ?
C28 C23 B1 127.18(19) . . ?
C24 C23 C28 113.88(19) . . ?
C24 C23 B1 118.87(18) . . ?
O1 C3 C4 113.82(18) . . ?
O1 C3 C2 122.90(18) . . ?
C2 C3 C4 123.27(18) . . ?
F10 C28 C23 120.90(18) . . ?
F10 C28 C27 115.74(19) . . ?
C27 C28 C23 123.3(2) . . ?
C5 C4 C3 118.58(19) . . ?
C9 C4 C3 122.78(19) . . ?
C9 C4 C5 118.58(19) . . ?
C22 C17 B1 118.56(18) . . ?
C18 C17 C22 114.48(19) . . ?
C18 C17 B1 126.95(19) . . ?
C5 C6 C7 121.1(2) . . ?
F4 C21 C22 120.5(2) . . ?
F4 C21 C20 120.1(2) . . ?
C20 C21 C22 119.4(2) . . ?
F7 C25 C24 121.0(2) . . ?
F7 C25 C26 120.1(2) . . ?
C24 C25 C26 118.8(2) . . ?
F9 C27 C28 119.9(2) . . ?
F9 C27 C26 120.0(2) . . ?
C26 C27 C28 120.1(2) . . ?
F6 C24 C23 119.33(18) . . ?
F6 C24 C25 116.10(19) . . ?
C25 C24 C23 124.6(2) . . ?
C1 C2 C3 123.56(19) . . ?
C9 C8 C7 121.3(2) . . ?
C6 C7 C10 120.3(2) . . ?
C8 C7 C6 118.12(19) . . ?
C8 C7 C10 121.6(2) . . ?
F8 C26 C25 120.0(2) . . ?
F8 C26 C27 120.7(2) . . ?
C27 C26 C25 119.3(2) . . ?
F3 C20 C21 120.0(2) . . ?
F3 C20 C19 120.3(2) . . ?
C21 C20 C19 119.6(2) . . ?
C11 C1 S1 115.89(14) . . ?
C2 C1 S1 122.73(17) . . ?
C2 C1 C11 121.27(18) . . ?
F2 C19 C20 120.1(2) . . ?
F2 C19 C18 120.5(2) . . ?
C20 C19 C18 119.3(2) . . ?
C15 C16 C11 121.1(2) . . ?
C15 C14 C13 119.2(2) . . ?
C6 C5 C4 120.4(2) . . ?
F1 C18 C17 120.79(19) . . ?
F1 C18 C19 115.82(19) . . ?
C19 C18 C17 123.4(2) . . ?
C8 C9 C4 120.4(2) . . ?
C14 C15 C16 120.7(2) . . ?
O1 B1 S1 106.59(14) . . ?
O1 B1 C23 113.29(16) . . ?
O1 B1 C17 105.84(17) . . ?
C23 B1 S1 108.48(14) . . ?
C17 B1 S1 112.89(14) . . ?
C17 B1 C23 109.78(17) . . ?
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
S1 C1 1.715(2) . ?
S1 B1 1.941(2) . ?
F6 C24 1.352(2) . ?
F5 C22 1.348(2) . ?
F1 C18 1.346(3) . ?
F10 C28 1.346(3) . ?
F2 C19 1.342(3) . ?
O1 C3 1.295(3) . ?
O1 B1 1.488(3) . ?
F4 C21 1.340(3) . ?
F9 C27 1.347(3) . ?
F7 C25 1.344(3) . ?
F3 C20 1.344(3) . ?
F8 C26 1.342(3) . ?
C12 C13 1.387(3) . ?
C12 C11 1.399(3) . ?
C22 C17 1.390(3) . ?
C22 C21 1.378(3) . ?
C13 C14 1.390(3) . ?
C11 C1 1.485(3) . ?
C11 C16 1.402(3) . ?
C23 C28 1.390(3) . ?
C23 C24 1.389(3) . ?
C23 B1 1.641(3) . ?
C3 C4 1.475(3) . ?
C3 C2 1.400(3) . ?
C28 C27 1.389(3) . ?
C4 C5 1.401(3) . ?
C4 C9 1.399(3) . ?
C17 C18 1.388(3) . ?
C17 B1 1.624(3) . ?
C6 C7 1.396(3) . ?
C6 C5 1.383(3) . ?
C21 C20 1.373(4) . ?
C25 C24 1.381(3) . ?
C25 C26 1.385(3) . ?
C27 C26 1.364(4) . ?
C2 C1 1.388(3) . ?
C8 C7 1.394(3) . ?
C8 C9 1.383(3) . ?
C7 C10 1.497(3) . ?
C20 C19 1.374(4) . ?
C19 C18 1.387(3) . ?
C16 C15 1.382(3) . ?
C14 C15 1.379(4) . ?
