#------------------------------------------------------------------------------
#$Date: 2025-08-06 00:57:20 +0300 (Wed, 06 Aug 2025) $
#$Revision: 301588 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/89/7718931.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_7718931
loop_
_publ_author_name
'Chan, Tek Long'
'Zhang, Jie'
'Xie, Zuowei'
_publ_section_title
;
 Carboranyl diphosphenes: synthesis, structure and reactivity.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10946
_journal_page_last               10955
_journal_paper_doi               10.1039/d5dt01239b
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C43.5 H66 B20 N4 P2'
_chemical_formula_weight         923.14
_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
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2025-04-24 deposited with the CCDC.	2025-06-18 downloaded from the CCDC.
;
_cell_angle_alpha                109.7699(10)
_cell_angle_beta                 100.4027(8)
_cell_angle_gamma                99.7809(8)
_cell_formula_units_Z            1
_cell_length_a                   9.8943(2)
_cell_length_b                   10.6362(2)
_cell_length_c                   14.9376(3)
_cell_measurement_reflns_used    198
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      15
_cell_volume                     1409.00(5)
_computing_cell_refinement       'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_computing_data_collection       'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_computing_data_reduction        'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_computing_molecular_graphics    'BRUKER SHELXTL'
_computing_publication_material  'BRUKER SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30065
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.247
_diffrn_reflns_theta_min         2.887
_exptl_absorpt_coefficient_mu    0.112
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6281
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.088
_exptl_crystal_description       block
_exptl_crystal_F_000             485
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.926
_refine_diff_density_min         -0.428
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.177
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5053
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.180
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0591
_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)+(0.1268P)²+0.7089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1981
_refine_ls_wR_factor_ref         0.2141
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4516
_reflns_number_total             5053
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01239b2.cif
_cod_data_source_block           15
_cod_depositor_comments
'Adding full bibliography for 7718922--7718935.cif.'
_cod_original_formula_sum        'C43.50 H66 B20 N4 P2'
_cod_database_code               7718931
_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   0.946
_shelx_estimated_absorpt_t_max   0.967
_shelxl_version_number           2014/6
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
P1 P 0.10342(5) 0.01522(5) 0.07422(4) 0.0289(2) Uani 1 1 d . . . . .
N1 N 0.2064(2) 0.1998(2) 0.25277(14) 0.0387(5) Uani 1 1 d . . . . .
N2 N -0.0125(2) 0.10411(19) 0.04126(13) 0.0323(4) Uani 1 1 d . . . . .
C1 C 0.1026(3) 0.0092(3) 0.28099(16) 0.0378(5) Uani 1 1 d . . . . .
C2 C 0.0169(2) -0.0577(2) 0.15912(15) 0.0318(5) Uani 1 1 d . . . . .
C11 C 0.2260(3) 0.1373(3) 0.31090(16) 0.0397(6) Uani 1 1 d . . . . .
C12 C 0.3545(3) 0.1705(3) 0.3989(2) 0.0600(8) Uani 1 1 d . . . . .
C13 C 0.4559(5) 0.3114(5) 0.4254(3) 0.0967(15) Uani 1 1 d . . . . .
H13A H 0.4061 0.3825 0.4432 0.145 Uiso 1 1 calc R U . . .
H13B H 0.5340 0.3276 0.4798 0.145 Uiso 1 1 calc R U . . .
H13C H 0.4910 0.3124 0.3697 0.145 Uiso 1 1 calc R U . . .
C14 C 0.3060(5) 0.1765(5) 0.4923(2) 0.0869(13) Uani 1 1 d . . . . .
H14A H 0.2543 0.2461 0.5086 0.130 Uiso 1 1 calc R U . . .
H14B H 0.2460 0.0885 0.4807 0.130 Uiso 1 1 calc R U . . .
H14C H 0.3876 0.1985 0.5459 0.130 Uiso 1 1 calc R U . . .
C15 C 0.4375(4) 0.0603(5) 0.3710(3) 0.0824(11) Uani 1 1 d . . . . .
H15A H 0.3761 -0.0291 0.3541 0.124 Uiso 1 1 calc R U . . .
H15B H 0.4727 0.0627 0.3157 0.124 Uiso 1 1 calc R U . . .
H15C H 0.5157 0.0780 0.4258 0.124 Uiso 1 1 calc R U . . .
C16 C 0.2890(3) 0.3239(3) 0.25501(18) 0.0443(6) Uani 1 1 d . . . . .
C17 C 0.2545(4) 0.4466(3) 0.2997(3) 0.0641(9) Uani 1 1 d . . . . .
H17A H 0.1827 0.4487 0.3323 0.077 Uiso 1 1 calc R U . . .
C18 C 0.3294(5) 0.5677(4) 0.2954(3) 0.0917(16) Uani 1 1 d . . . . .
H18A H 0.3067 0.6505 0.3255 0.110 Uiso 1 1 calc R U . . .
C19 C 0.4345(6) 0.5668(5) 0.2480(3) 0.1011(17) Uani 1 1 d . . . . .
H19A H 0.4855 0.6485 0.2477 0.121 Uiso 1 1 calc R U . . .
C20 C 0.4642(5) 0.4440(6) 0.2009(3) 0.1027(17) Uani 1 1 d . . . . .
H20A H 0.5348 0.4428 0.1673 0.123 Uiso 1 1 calc R U . . .
C21 C 0.3913(4) 0.3212(4) 0.2021(2) 0.0676(9) Uani 1 1 d . . . . .
H21A H 0.4106 0.2381 0.1679 0.081 Uiso 1 1 calc R U . . .
C22 C -0.0315(2) 0.2406(2) 0.09573(16) 0.0344(5) Uani 1 1 d . . . . .
H22A H 0.0444 0.3112 0.0953 0.041 Uiso 1 1 calc R U . . .
H22B H -0.0253 0.2517 0.1636 0.041 Uiso 1 1 calc R U . . .
C23 C -0.1727(3) 0.2603(2) 0.05192(17) 0.0370(5) Uani 1 1 d . . . . .
C24 C -0.2987(3) 0.1692(3) 0.0396(3) 0.0585(8) Uani 1 1 d . . . . .
H24A H -0.2973 0.0960 0.0602 0.070 Uiso 1 1 calc R U . . .
C25 C -0.4260(3) 0.1864(4) -0.0028(4) 0.0852(13) Uani 1 1 d . . . . .
H25A H -0.5099 0.1228 -0.0126 0.102 Uiso 1 1 calc R U . . .
C26 C -0.4311(4) 0.2959(4) -0.0310(3) 0.0844(12) Uani 1 1 d . . . . .
H26A H -0.5178 0.3068 -0.0593 0.101 Uiso 1 1 calc R U . . .
C27 C -0.3077(4) 0.3891(3) -0.0171(3) 0.0646(9) Uani 1 1 d . . . . .
H27A H -0.3105 0.4641 -0.0355 0.078 Uiso 1 1 calc R U . . .
C28 C -0.1790(3) 0.3715(3) 0.0243(2) 0.0461(6) Uani 1 1 d . . . . .
H28A H -0.0955 0.4353 0.0338 0.055 Uiso 1 1 calc R U . . .
C29 C -0.187(2) 0.443(2) 0.3239(14) 0.161(15) Uani 0.25 1 d D . P . .
H29A H -0.2517 0.3544 0.3033 0.242 Uiso 0.25 1 calc R U P . .
H29B H -0.2394 0.5127 0.3317 0.242 Uiso 0.25 1 calc R U P . .
H29C H -0.1361 0.4430 0.2750 0.242 Uiso 0.25 1 calc R U P . .
C30 C -0.0854(17) 0.4728(15) 0.4190(12) 0.183(9) Uani 0.5 1 d D . P . .
C31 C -0.1084(19) 0.3695(15) 0.4571(14) 0.156(7) Uani 0.5 1 d D . P . .
H31 H -0.1794 0.2877 0.4280 0.187 Uiso 0.5 1 calc R U P . .
C32 C 0.0177(15) 0.5942(13) 0.4634(10) 0.099(3) Uani 0.5 1 d D . P . .
H32 H 0.0203 0.6551 0.4311 0.118 Uiso 0.5 1 calc R U P . .
B3 B 0.1176(3) -0.1496(3) 0.20617(19) 0.0373(6) Uani 1 1 d . . . . .
H3 H 0.2167 -0.1683 0.1873 0.045 Uiso 1 1 calc R U . . .
B4 B 0.0922(4) -0.1197(3) 0.3260(2) 0.0478(7) Uani 1 1 d . . . . .
H4 H 0.1751 -0.1207 0.3855 0.057 Uiso 1 1 calc R U . . .
B5 B -0.0178(4) -0.0025(4) 0.3493(2) 0.0512(8) Uani 1 1 d . . . . .
H5 H -0.0061 0.0728 0.4237 0.061 Uiso 1 1 calc R U . . .
B6 B -0.0621(3) 0.0375(3) 0.2427(2) 0.0417(6) Uani 1 1 d . . . . .
H6 H -0.0780 0.1392 0.2476 0.050 Uiso 1 1 calc R U . . .
B7 B -0.0515(3) -0.2314(3) 0.1214(2) 0.0389(6) Uani 1 1 d . . . . .
H7 H -0.0627 -0.3059 0.0468 0.047 Uiso 1 1 calc R U . . .
B8 B -0.0057(4) -0.2728(3) 0.2264(2) 0.0464(7) Uani 1 1 d . . . . .
H8 H 0.0132 -0.3738 0.2208 0.056 Uiso 1 1 calc R U . . .
B9 B -0.0904(4) -0.1813(4) 0.3140(3) 0.0546(8) Uani 1 1 d . . . . .
H9 H -0.1275 -0.2233 0.3657 0.065 Uiso 1 1 calc R U . . .
B10 B -0.1860(4) -0.0836(4) 0.2630(3) 0.0533(8) Uani 1 1 d . . . . .
H10 H -0.2845 -0.0616 0.2814 0.064 Uiso 1 1 calc R U . . .
B11 B -0.1611(3) -0.1152(3) 0.1431(2) 0.0423(6) Uani 1 1 d . . . . .
H11 H -0.2426 -0.1134 0.0830 0.051 Uiso 1 1 calc R U . . .
B12 B -0.1790(3) -0.2518(3) 0.1875(3) 0.0497(7) Uani 1 1 d . . . . .
H12 H -0.2731 -0.3395 0.1569 0.060 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 0.0033 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'
N N 0.0061 0.0033 '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
N2 P1 N2 80.60(10) . 2 ?
N2 P1 C2 102.82(9) . . ?
N2 P1 C2 102.16(9) 2 . ?
N2 P1 P1 40.45(6) . 2 ?
N2 P1 P1 40.15(6) 2 2 ?
C2 P1 P1 106.47(7) . 2 ?
C11 N1 C16 129.9(2) . . ?
C22 N2 P1 130.58(14) . . ?
C22 N2 P1 130.01(15) . 2 ?
P1 N2 P1 99.40(10) . 2 ?
C11 C1 C2 113.80(17) . . ?
C11 C1 B4 128.0(2) . . ?
C2 C1 B4 109.68(19) . . ?
C11 C1 B5 123.2(2) . . ?
C2 C1 B5 109.70(19) . . ?
B4 C1 B5 62.38(18) . . ?
C11 C1 B3 119.18(19) . . ?
C2 C1 B3 60.42(13) . . ?
B4 C1 B3 62.27(16) . . ?
B5 C1 B3 113.3(2) . . ?
C11 C1 B6 113.01(19) . . ?
C2 C1 B6 60.01(14) . . ?
B4 C1 B6 112.6(2) . . ?
B5 C1 B6 62.09(17) . . ?
B3 C1 B6 111.71(19) . . ?
C1 C2 B11 110.43(18) . . ?
C1 C2 B7 109.79(17) . . ?
B11 C2 B7 62.27(16) . . ?
C1 C2 B6 60.97(15) . . ?
B11 C2 B6 61.92(16) . . ?
B7 C2 B6 112.55(18) . . ?
C1 C2 B3 60.56(14) . . ?
B11 C2 B3 113.62(18) . . ?
B7 C2 B3 62.23(15) . . ?
B6 C2 B3 112.63(17) . . ?
C1 C2 P1 117.06(14) . . ?
B11 C2 P1 125.40(15) . . ?
B7 C2 P1 119.82(15) . . ?
B6 C2 P1 122.12(16) . . ?
B3 C2 P1 112.24(15) . . ?
N1 C11 C1 110.8(2) . . ?
N1 C11 C12 128.8(2) . . ?
C1 C11 C12 120.3(2) . . ?
C15 C12 C13 107.9(3) . . ?
C15 C12 C14 110.7(3) . . ?
C13 C12 C14 106.2(3) . . ?
C15 C12 C11 108.6(3) . . ?
C13 C12 C11 112.2(3) . . ?
C14 C12 C11 111.1(3) . . ?
C17 C16 C21 119.7(3) . . ?
C17 C16 N1 119.1(3) . . ?
C21 C16 N1 120.6(3) . . ?
C16 C17 C18 119.0(4) . . ?
C19 C18 C17 121.5(4) . . ?
C18 C19 C20 119.0(4) . . ?
C19 C20 C21 121.4(4) . . ?
C20 C21 C16 119.2(4) . . ?
N2 C22 C23 112.06(18) . . ?
C24 C23 C28 118.3(2) . . ?
C24 C23 C22 121.0(2) . . ?
C28 C23 C22 120.7(2) . . ?
C25 C24 C23 120.3(3) . . ?
C26 C25 C24 120.9(3) . . ?
C27 C26 C25 119.6(3) . . ?
C26 C27 C28 119.8(3) . . ?
C27 C28 C23 121.0(3) . . ?
C32 C30 C31 125.4(16) . . ?
C32 C30 C29 120.3(14) . . ?
C31 C30 C29 114.3(18) . . ?
C32 C31 C30 108.4(16) 2_566 . ?
C31 C32 C30 126.2(10) 2_566 . ?
C2 B3 C1 59.02(13) . . ?
C2 B3 B8 105.30(19) . . ?
C1 B3 B8 105.14(19) . . ?
C2 B3 B7 58.39(14) . . ?
C1 B3 B7 105.55(19) . . ?
B8 B3 B7 59.83(16) . . ?
C2 B3 B4 105.59(19) . . ?
C1 B3 B4 58.48(15) . . ?
B8 B3 B4 59.44(17) . . ?
B7 B3 B4 107.0(2) . . ?
C1 B4 B8 106.29(19) . . ?
C1 B4 B9 105.6(2) . . ?
B8 B4 B9 60.59(19) . . ?
C1 B4 B5 58.88(16) . . ?
B8 B4 B5 108.6(2) . . ?
B9 B4 B5 59.88(19) . . ?
C1 B4 B3 59.26(15) . . ?
B8 B4 B3 60.12(16) . . ?
B9 B4 B3 108.2(2) . . ?
B5 B4 B3 108.0(2) . . ?
C1 B5 B9 105.4(2) . . ?
C1 B5 B10 105.9(2) . . ?
B9 B5 B10 60.2(2) . . ?
C1 B5 B4 58.74(16) . . ?
B9 B5 B4 59.78(19) . . ?
B10 B5 B4 108.0(2) . . ?
C1 B5 B6 59.48(15) . . ?
B9 B5 B6 107.4(2) . . ?
B10 B5 B6 59.45(18) . . ?
B4 B5 B6 107.6(2) . . ?
C2 B6 C1 59.01(13) . . ?
C2 B6 B11 58.66(15) . . ?
C1 B6 B11 106.27(19) . . ?
C2 B6 B10 105.9(2) . . ?
C1 B6 B10 105.7(2) . . ?
B11 B6 B10 60.57(18) . . ?
C2 B6 B5 106.0(2) . . ?
C1 B6 B5 58.43(16) . . ?
B11 B6 B5 108.5(2) . . ?
B10 B6 B5 60.14(19) . . ?
C2 B7 B12 106.2(2) . . ?
C2 B7 B11 58.80(15) . . ?
B12 B7 B11 60.77(17) . . ?
C2 B7 B8 106.27(19) . . ?
B12 B7 B8 60.61(17) . . ?
B11 B7 B8 109.2(2) . . ?
C2 B7 B3 59.38(14) . . ?
B12 B7 B3 108.7(2) . . ?
B11 B7 B3 108.5(2) . . ?
B8 B7 B3 60.08(16) . . ?
B4 B8 B7 108.0(2) . . ?
B4 B8 B3 60.43(16) . . ?
B7 B8 B3 60.09(15) . . ?
B4 B8 B9 59.83(19) . . ?
B7 B8 B9 106.9(2) . . ?
B3 B8 B9 107.9(2) . . ?
B4 B8 B12 107.6(2) . . ?
B7 B8 B12 59.54(16) . . ?
B3 B8 B12 107.9(2) . . ?
B9 B8 B12 59.37(19) . . ?
B12 B9 B4 108.2(2) . . ?
B12 B9 B5 108.6(2) . . ?
B4 B9 B5 60.35(19) . . ?
B12 B9 B10 60.4(2) . . ?
B4 B9 B10 108.4(2) . . ?
B5 B9 B10 60.1(2) . . ?
B12 B9 B8 60.40(18) . . ?
B4 B9 B8 59.58(18) . . ?
B5 B9 B8 108.2(2) . . ?
B10 B9 B8 108.6(2) . . ?
B6 B10 B5 60.40(18) . . ?
B6 B10 B9 107.7(2) . . ?
B5 B10 B9 59.7(2) . . ?
B6 B10 B11 59.68(16) . . ?
B5 B10 B11 108.0(2) . . ?
B9 B10 B11 107.6(2) . . ?
B6 B10 B12 107.7(2) . . ?
B5 B10 B12 107.5(2) . . ?
B9 B10 B12 59.43(19) . . ?
B11 B10 B12 60.18(18) . . ?
C2 B11 B6 59.42(15) . . ?
C2 B11 B7 58.93(15) . . ?
B6 B11 B7 107.84(19) . . ?
C2 B11 B10 105.9(2) . . ?
B6 B11 B10 59.75(17) . . ?
B7 B11 B10 107.7(2) . . ?
C2 B11 B12 105.4(2) . . ?
B6 B11 B12 107.6(2) . . ?
B7 B11 B12 59.59(16) . . ?
B10 B11 B12 60.04(18) . . ?
B7 B12 B9 107.8(2) . . ?
B7 B12 B10 107.5(2) . . ?
B9 B12 B10 60.1(2) . . ?
B7 B12 B8 59.86(16) . . ?
B9 B12 B8 60.23(19) . . ?
B10 B12 B8 108.2(2) . . ?
B7 B12 B11 59.64(16) . . ?
B9 B12 B11 107.8(2) . . ?
B10 B12 B11 59.78(18) . . ?
B8 B12 B11 107.7(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 N2 1.7119(18) . ?
P1 N2 1.7225(18) 2 ?
P1 C2 1.943(2) . ?
P1 P1 2.6192(10) 2 ?
N1 C11 1.268(3) . ?
N1 C16 1.416(3) . ?
N2 C22 1.468(3) . ?
N2 P1 1.7224(18) 2 ?
C1 C11 1.540(3) . ?
C1 C2 1.703(3) . ?
C1 B4 1.716(4) . ?
C1 B5 1.718(4) . ?
C1 B3 1.730(4) . ?
C1 B6 1.737(4) . ?
C2 B11 1.707(3) . ?
C2 B7 1.710(3) . ?
C2 B6 1.721(3) . ?
C2 B3 1.728(3) . ?
C11 C12 1.549(3) . ?
C12 C15 1.531(5) . ?
C12 C13 1.534(5) . ?
C12 C14 1.540(5) . ?
C16 C17 1.381(4) . ?
C16 C21 1.390(4) . ?
C17 C18 1.401(5) . ?
C18 C19 1.358(7) . ?
C19 C20 1.368(8) . ?
C20 C21 1.389(5) . ?
C22 C23 1.512(3) . ?
C23 C24 1.384(4) . ?
C23 C28 1.385(4) . ?
C24 C25 1.375(5) . ?
C25 C26 1.371(6) . ?
C26 C27 1.369(5) . ?
C27 C28 1.384(4) . ?
C29 C30 1.485(10) . ?
C30 C32 1.370(9) . ?
C30 C31 1.403(9) . ?
C31 C32 1.25(2) 2_566 ?
C32 C31 1.25(2) 2_566 ?
B3 B8 1.776(4) . ?
B3 B7 1.776(4) . ?
B3 B4 1.782(4) . ?
B4 B8 1.764(4) . ?
B4 B9 1.768(5) . ?
B4 B5 1.778(5) . ?
B5 B9 1.770(5) . ?
B5 B10 1.777(5) . ?
B5 B6 1.782(4) . ?
B6 B11 1.763(4) . ?
B6 B10 1.765(4) . ?
B7 B12 1.766(4) . ?
B7 B11 1.767(4) . ?
B7 B8 1.771(4) . ?
B8 B9 1.782(5) . ?
B8 B12 1.785(5) . ?
B9 B12 1.766(5) . ?
B9 B10 1.779(5) . ?
B10 B11 1.779(4) . ?
B10 B12 1.784(5) . ?
B11 B12 1.787(4) . ?
