#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:03:57 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180121 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/19/7101917.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_7101917
loop_
_publ_author_name
'Zlatogorsky, Sergey'
'Ellis, David'
'Rosair, Georgina M'
'Welch, Alan J'
_publ_section_title
;
 Unexpectedly facile isomerisation of [7,10-Ph2-7,10-nido-C2B10H10]2-
 to [7,9-Ph2-7,9-nido-C2B10H10]2-.
;
_journal_issue                   21
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2178
_journal_page_last               2180
_journal_paper_doi               10.1039/b618556h
_journal_year                    2007
_chemical_formula_moiety         'C14 H20 B10'
_chemical_formula_sum            'C14 H20 B10'
_chemical_formula_weight         296.40
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.339(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.560(3)
_cell_length_b                   7.3833(17)
_cell_length_c                   19.199(4)
_cell_measurement_reflns_used    3039
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.97
_cell_measurement_theta_min      2.12
_cell_volume                     1635.9(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker X8 Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1107
_diffrn_reflns_av_sigmaI/netI    0.0752
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26728
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    0.059
_exptl_absorpt_correction_T_max  0.994
_exptl_absorpt_correction_T_min  0.852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.577
_refine_diff_density_min         -0.349
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         3328
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.1445
_refine_ls_R_factor_gt           0.0957
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1185P)²+5.6585P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2614
_refine_ls_wR_factor_ref         0.2973
_reflns_number_gt                2169
_reflns_number_total             3328
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b618556h.txt
_cod_data_source_block           1x81270m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7101917
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1A C 0.5359(3) 0.9975(6) 0.0808(2) 0.0199(9) Uani 1 1 d .
B2A B 0.4028(4) 0.9096(7) 0.0517(3) 0.0227(10) Uani 1 1 d .
H2A H 0.343(4) 0.846(6) 0.086(2) 0.027 Uiso 1 1 d .
B3A B 0.5341(4) 0.7966(7) 0.0354(3) 0.0221(10) Uani 1 1 d .
H3A H 0.557(4) 0.673(6) 0.065(2) 0.027 Uiso 1 1 d .
B4A B 0.6409(4) 0.9631(7) 0.0229(3) 0.0200(10) Uani 1 1 d .
H4A H 0.731(4) 0.932(6) 0.039(2) 0.024 Uiso 1 1 d .
B5A B 0.5765(4) 1.1804(7) 0.0312(3) 0.0221(10) Uani 1 1 d .
H5A H 0.625(4) 1.291(6) 0.057(2) 0.026 Uiso 1 1 d .
B6A B 0.4297(4) 1.1473(7) 0.0496(3) 0.0226(10) Uani 1 1 d .
H6A H 0.385(4) 1.235(7) 0.084(2) 0.027 Uiso 1 1 d .
C11A C 0.5714(3) 1.0001(5) 0.1575(2) 0.0201(9) Uani 1 1 d .
C12A C 0.4995(4) 0.9389(6) 0.2069(2) 0.0220(9) Uani 1 1 d .
H12A H 0.4269 0.8932 0.1926 0.026 Uiso 1 1 calc R
C13A C 0.5323(4) 0.9438(6) 0.2775(2) 0.0247(10) Uani 1 1 d .
H13A H 0.4816 0.9040 0.3101 0.030 Uiso 1 1 calc R
C14A C 0.6421(4) 1.0090(6) 0.2993(2) 0.0253(10) Uani 1 1 d .
H14A H 0.6660 1.0099 0.3464 0.030 Uiso 1 1 calc R
C15A C 0.7141(4) 1.0714(6) 0.2505(2) 0.0253(10) Uani 1 1 d .
H15A H 0.7865 1.1174 0.2649 0.030 Uiso 1 1 calc R
C16A C 0.6814(4) 1.0674(6) 0.1802(2) 0.0235(9) Uani 1 1 d .
H16A H 0.7319 1.1091 0.1478 0.028 Uiso 1 1 calc R
C1B C 0.0445(3) 0.0002(6) 0.4241(2) 0.0189(9) Uani 1 1 d .
B2B B 0.0769(4) -0.1837(7) 0.4776(3) 0.0221(10) Uani 1 1 d .
H2B H 0.124(4) -0.298(7) 0.457(2) 0.026 Uiso 1 1 d .
B3B B -0.0671(4) -0.1447(7) 0.4429(3) 0.0229(11) Uani 1 1 d .
H3B H -0.106(4) -0.236(7) 0.403(2) 0.027 Uiso 1 1 d .
B4B B -0.0894(4) 0.0942(7) 0.4370(3) 0.0218(10) Uani 1 1 d .
H4B H -0.140(4) 0.155(6) 0.392(2) 0.026 Uiso 1 1 d .
B5B B 0.0413(4) 0.2015(7) 0.4690(3) 0.0222(10) Uani 1 1 d .
H5B H 0.069(4) 0.326(6) 0.443(2) 0.027 Uiso 1 1 d .
B6B B 0.1429(4) 0.0305(7) 0.4935(3) 0.0214(10) Uani 1 1 d .
H6B H 0.235(4) 0.056(6) 0.485(2) 0.026 Uiso 1 1 d .
C11B C 0.0855(4) 0.0034(6) 0.3515(2) 0.0208(9) Uani 1 1 d .
C12B C 0.0218(4) -0.0734(6) 0.2958(2) 0.0230(9) Uani 1 1 d .
H12B H -0.0479 -0.1304 0.3038 0.028 Uiso 1 1 calc R
C13B C 0.0589(4) -0.0680(6) 0.2286(2) 0.0271(10) Uani 1 1 d .
H13B H 0.0140 -0.1196 0.1921 0.032 Uiso 1 1 calc R
C14B C 0.1631(4) 0.0147(6) 0.2159(2) 0.0281(10) Uani 1 1 d .
H14B H 0.1897 0.0168 0.1711 0.034 Uiso 1 1 calc R
C15B C 0.2269(4) 0.0938(6) 0.2708(2) 0.0275(10) Uani 1 1 d .
H15B H 0.2961 0.1518 0.2623 0.033 Uiso 1 1 calc R
C16B C 0.1901(4) 0.0885(6) 0.3381(2) 0.0232(9) Uani 1 1 d .
H16B H 0.2349 0.1414 0.3744 0.028 Uiso 1 1 calc R
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'
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
C11A C1A B4A 118.3(3) . .
C11A C1A B3A 120.1(3) . .
B4A C1A B3A 62.0(3) . .
C11A C1A B5A 117.3(3) . .
B4A C1A B5A 62.2(3) . .
B3A C1A B5A 113.0(3) . .
C11A C1A B2A 120.4(3) . .
B4A C1A B2A 112.7(3) . .
B3A C1A B2A 61.9(3) . .
B5A C1A B2A 112.3(3) . .
C11A C1A B6A 118.5(3) . .
B4A C1A B6A 112.7(3) . .
B3A C1A B6A 112.8(3) . .
B5A C1A B6A 61.5(3) . .
B2A C1A B6A 61.9(3) . .
C1A B2A B5A 105.6(3) . 3_675
C1A B2A B4A 105.6(3) . 3_675
B5A B2A B4A 60.8(3) 3_675 3_675
C1A B2A B3A 58.7(3) . .
B5A B2A B3A 59.9(3) 3_675 .
B4A B2A B3A 108.3(3) 3_675 .
C1A B2A B6A 59.1(3) . .
B5A B2A B6A 108.6(3) 3_675 .
B4A B2A B6A 59.9(3) 3_675 .
B3A B2A B6A 107.9(3) . .
C1A B2A H2A 123(2) . .
B5A B2A H2A 121(2) 3_675 .
B4A B2A H2A 124(2) 3_675 .
B3A B2A H2A 119(2) . .
B6A B2A H2A 124(3) . .
C1A B3A B6A 105.7(3) . 3_675
C1A B3A B5A 105.7(3) . 3_675
B6A B3A B5A 60.4(3) 3_675 3_675
C1A B3A B4A 58.7(3) . .
B6A B3A B4A 60.3(3) 3_675 .
B5A B3A B4A 108.5(3) 3_675 .
C1A B3A B2A 59.4(3) . .
B6A B3A B2A 107.8(3) 3_675 .
B5A B3A B2A 59.4(3) 3_675 .
B4A B3A B2A 107.9(3) . .
C1A B3A H3A 117(2) . .
B6A B3A H3A 128(2) 3_675 .
B5A B3A H3A 127(2) 3_675 .
B4A B3A H3A 120(2) . .
B2A B3A H3A 118(2) . .
C1A B4A B2A 105.5(3) . 3_675
C1A B4A B6A 105.5(3) . 3_675
B2A B4A B6A 60.6(3) 3_675 3_675
C1A B4A B3A 59.2(3) . .
B2A B4A B3A 108.2(3) 3_675 .
B6A B4A B3A 59.5(3) 3_675 .
C1A B4A B5A 59.5(3) . .
B2A B4A B5A 59.4(3) 3_675 .
B6A B4A B5A 108.1(3) 3_675 .
B3A B4A B5A 108.4(3) . .
C1A B4A H4A 124(2) . .
B2A B4A H4A 124(2) 3_675 .
B6A B4A H4A 121(2) 3_675 .
B3A B4A H4A 119(2) . .
B5A B4A H4A 124(2) . .
C1A B5A B2A 105.0(3) . 3_675
C1A B5A B3A 105.3(3) . 3_675
B2A B5A B3A 60.6(3) 3_675 3_675
C1A B5A B6A 59.3(3) . .
B2A B5A B6A 108.1(3) 3_675 .
B3A B5A B6A 59.6(3) 3_675 .
C1A B5A B4A 58.3(3) . .
B2A B5A B4A 59.8(3) 3_675 .
B3A B5A B4A 108.1(3) 3_675 .
B6A B5A B4A 107.7(3) . .
C1A B5A H5A 119(2) . .
B2A B5A H5A 127(2) 3_675 .
B3A B5A H5A 126(2) 3_675 .
B6A B5A H5A 119(2) . .
B4A B5A H5A 121(2) . .
C1A B6A B3A 105.6(3) . 3_675
C1A B6A B4A 105.2(3) . 3_675
B3A B6A B4A 60.2(3) 3_675 3_675
C1A B6A B5A 59.2(3) . .
B3A B6A B5A 60.0(3) 3_675 .
B4A B6A B5A 108.1(3) 3_675 .
C1A B6A B2A 59.0(3) . .
B3A B6A B2A 107.7(3) 3_675 .
B4A B6A B2A 59.5(3) 3_675 .
B5A B6A B2A 108.1(3) . .
C1A B6A H6A 122(2) . .
B3A B6A H6A 125(3) 3_675 .
B4A B6A H6A 123(2) 3_675 .
B5A B6A H6A 122(2) . .
B2A B6A H6A 119(3) . .
C12A C11A C16A 118.3(4) . .
C12A C11A C1A 121.9(4) . .
C16A C11A C1A 119.8(4) . .
C11A C12A C13A 121.6(4) . .
C11A C12A H12A 119.2 . .
C13A C12A H12A 119.2 . .
C12A C13A C14A 119.6(4) . .
C12A C13A H13A 120.2 . .
C14A C13A H13A 120.2 . .
C15A C14A C13A 119.2(4) . .
C15A C14A H14A 120.4 . .
C13A C14A H14A 120.4 . .
C14A C15A C16A 121.3(4) . .
C14A C15A H15A 119.4 . .
C16A C15A H15A 119.4 . .
C15A C16A C11A 120.1(4) . .
C15A C16A H16A 120.0 . .
C11A C16A H16A 120.0 . .
C11B C1B B6B 119.3(3) . .
C11B C1B B5B 118.0(3) . .
B6B C1B B5B 62.0(3) . .
C11B C1B B4B 117.5(3) . .
B6B C1B B4B 113.3(3) . .
B5B C1B B4B 62.3(3) . .
C11B C1B B3B 119.0(3) . .
B6B C1B B3B 112.8(3) . .
B5B C1B B3B 113.0(3) . .
B4B C1B B3B 62.1(3) . .
C11B C1B B2B 119.7(3) . .
B6B C1B B2B 62.0(3) . .
B5B C1B B2B 113.0(3) . .
B4B C1B B2B 113.3(3) . .
B3B C1B B2B 61.9(3) . .
C1B B2B B5B 104.9(3) . 3_556
C1B B2B B4B 105.1(3) . 3_556
B5B B2B B4B 60.7(3) 3_556 3_556
C1B B2B B6B 58.6(3) . .
B5B B2B B6B 107.9(3) 3_556 .
B4B B2B B6B 59.7(3) 3_556 .
C1B B2B B3B 59.0(3) . .
B5B B2B B3B 59.3(3) 3_556 .
B4B B2B B3B 108.1(3) 3_556 .
B6B B2B B3B 107.7(3) . .
C1B B2B H2B 119(2) . .
B5B B2B H2B 125(2) 3_556 .
B4B B2B H2B 127(2) 3_556 .
B6B B2B H2B 122(2) . .
B3B B2B H2B 118(2) . .
C1B B3B B5B 105.3(3) . 3_556
C1B B3B B6B 104.9(3) . 3_556
B5B B3B B6B 60.6(3) 3_556 3_556
C1B B3B B2B 59.0(3) . .
B5B B3B B2B 59.8(3) 3_556 .
B6B B3B B2B 108.1(3) 3_556 .
C1B B3B B4B 58.9(3) . .
B5B B3B B4B 108.3(3) 3_556 .
B6B B3B B4B 59.7(3) 3_556 .
B2B B3B B4B 108.2(3) . .
C1B B3B H3B 121(2) . .
B5B B3B H3B 124(2) 3_556 .
B6B B3B H3B 125(2) 3_556 .
B2B B3B H3B 120(2) . .
B4B B3B H3B 121(3) . .
C1B B4B B2B 105.0(3) . 3_556
C1B B4B B6B 104.8(3) . 3_556
B2B B4B B6B 60.4(3) 3_556 3_556
C1B B4B B5B 58.7(2) . .
B2B B4B B5B 59.5(3) 3_556 .
B6B B4B B5B 107.4(3) 3_556 .
C1B B4B B3B 59.0(3) . .
B2B B4B B3B 107.9(3) 3_556 .
B6B B4B B3B 59.4(3) 3_556 .
B5B B4B B3B 107.5(3) . .
C1B B4B H4B 119(2) . .
B2B B4B H4B 126(2) 3_556 .
B6B B4B H4B 128(2) 3_556 .
B5B B4B H4B 119(2) . .
B3B B4B H4B 121(2) . .
C1B B5B B3B 105.6(3) . 3_556
C1B B5B B2B 105.5(3) . 3_556
B3B B5B B2B 60.9(3) 3_556 3_556
C1B B5B B6B 58.9(3) . .
B3B B5B B6B 59.9(3) 3_556 .
B2B B5B B6B 108.5(4) 3_556 .
C1B B5B B4B 59.1(3) . .
B3B B5B B4B 108.6(3) 3_556 .
B2B B5B B4B 59.8(3) 3_556 .
B6B B5B B4B 108.1(3) . .
C1B B5B H5B 118(2) . .
B3B B5B H5B 127(2) 3_556 .
B2B B5B H5B 126(2) 3_556 .
B6B B5B H5B 121(2) . .
B4B B5B H5B 118(2) . .
C1B B6B B3B 105.5(3) . 3_556
C1B B6B B4B 105.9(3) . 3_556
B3B B6B B4B 60.9(3) 3_556 3_556
C1B B6B B5B 59.1(3) . .
B3B B6B B5B 59.5(3) 3_556 .
B4B B6B B5B 108.5(3) 3_556 .
C1B B6B B2B 59.4(3) . .
B3B B6B B2B 108.7(3) 3_556 .
B4B B6B B2B 59.9(3) 3_556 .
B5B B6B B2B 108.5(3) . .
C1B B6B H6B 120(2) . .
B3B B6B H6B 123(2) 3_556 .
B4B B6B H6B 126(2) 3_556 .
B5B B6B H6B 118(2) . .
B2B B6B H6B 122(2) . .
C12B C11B C16B 117.9(4) . .
C12B C11B C1B 122.0(4) . .
C16B C11B C1B 120.1(4) . .
C13B C12B C11B 121.9(4) . .
C13B C12B H12B 119.0 . .
C11B C12B H12B 119.0 . .
C14B C13B C12B 119.8(4) . .
C14B C13B H13B 120.1 . .
C12B C13B H13B 120.1 . .
C15B C14B C13B 119.0(4) . .
C15B C14B H14B 120.5 . .
C13B C14B H14B 120.5 . .
C14B C15B C16B 121.4(4) . .
C14B C15B H15B 119.3 . .
C16B C15B H15B 119.3 . .
C15B C16B C11B 120.0(4) . .
C15B C16B H16B 120.0 . .
C11B C16B H16B 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1A C11A 1.506(6) .
C1A B4A 1.711(6) .
C1A B3A 1.720(6) .
C1A B5A 1.732(6) .
C1A B2A 1.732(6) .
C1A B6A 1.733(6) .
B2A B5A 1.754(7) 3_675
B2A B4A 1.762(7) 3_675
B2A B3A 1.776(7) .
B2A B6A 1.783(7) .
B2A H2A 1.09(5) .
B3A B6A 1.757(7) 3_675
B3A B5A 1.763(7) 3_675
B3A B4A 1.768(7) .
B3A H3A 1.11(5) .
B4A B2A 1.762(7) 3_675
B4A B6A 1.770(7) 3_675
B4A B5A 1.779(7) .
B4A H4A 1.09(4) .
B5A B2A 1.754(7) 3_675
B5A B3A 1.763(7) 3_675
B5A B6A 1.771(7) .
B5A H5A 1.10(5) .
B6A B3A 1.757(7) 3_675
B6A B4A 1.770(7) 3_675
B6A H6A 1.08(5) .
C11A C12A 1.374(6) .
C11A C16A 1.411(6) .
C12A C13A 1.387(6) .
C12A H12A 0.9300 .
C13A C14A 1.399(6) .
C13A H13A 0.9300 .
C14A C15A 1.370(6) .
C14A H14A 0.9300 .
C15A C16A 1.380(6) .
C15A H15A 0.9300 .
C16A H16A 0.9300 .
C1B C11B 1.497(6) .
C1B B6B 1.716(6) .
C1B B5B 1.720(6) .
C1B B4B 1.727(6) .
C1B B3B 1.730(6) .
C1B B2B 1.730(6) .
B2B B5B 1.761(6) 3_556
B2B B4B 1.766(7) 3_556
B2B B6B 1.775(7) .
B2B B3B 1.780(7) .
B2B H2B 1.09(5) .
B3B B5B 1.751(7) 3_556
B3B B6B 1.758(7) 3_556
B3B B4B 1.785(7) .
B3B H3B 1.10(5) .
B4B B2B 1.766(7) 3_556
B4B B6B 1.763(7) 3_556
B4B B5B 1.783(7) .
B4B H4B 1.12(4) .
B5B B3B 1.751(7) 3_556
B5B B2B 1.761(7) 3_556
B5B B6B 1.770(7) .
B5B H5B 1.10(5) .
B6B B3B 1.758(7) 3_556
B6B B4B 1.763(7) 3_556
B6B H6B 1.11(4) .
C11B C12B 1.384(6) .
C11B C16B 1.400(6) .
C12B C13B 1.383(6) .
C12B H12B 0.9300 .
C13B C14B 1.385(7) .
C13B H13B 0.9300 .
C14B C15B 1.379(6) .
C14B H14B 0.9300 .
C15B C16B 1.385(6) .
C15B H15B 0.9300 .
C16B H16B 0.9300 .
