#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/49/4314931.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_4314931
loop_
_publ_author_name
'William C. Ewing'
'Patrick J. Carroll'
'Larry G. Sneddon'
_publ_section_title
;
 Efficient Syntheses of 5-X-B10H13 Halodecaboranes via the Photochemical
 (X = I) and/or Base-Catalyzed (X = Cl, Br, I) Isomerization Reactions of
 6-X-B10H13
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1983
_journal_page_last               1994
_journal_paper_doi               10.1021/ic9024487
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C14 H31 B10 Cl N2'
_chemical_formula_weight         370.96
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.755(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1706(15)
_cell_length_b                   23.403(4)
_cell_length_c                   10.1822(17)
_cell_measurement_temperature    143(1)
_cell_volume                     2159.8(6)
_computing_data_collection       'CrystalClear (Rigaku, 1999)'
_computing_data_reduction        'CrystalClear (Rigaku, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, 1999)'
_diffrn_ambient_temperature      143(1)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'CCD Area Detector'
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       'phi and omega rotations'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0281
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            21783
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    0.178
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8349
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;  Shape and scale corrections using equivalent reflections.
   Shape function based on spherical harmonics.
   Highest even and odd order for spherical harmonics:  4  and  3
   Laue group:  2/m
   Friedel opposites are equivalent.
;
_exptl_crystal_density_diffrn    1.141
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.179
_refine_diff_density_min         -0.381
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         3800
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0693P)²+0.6295P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1238
_refine_ls_wR_factor_ref         0.1320
_reflns_number_gt                3227
_reflns_number_total             3800
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9024487_si_002_3.cif
_cod_data_source_block           UP3358
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_database_code               4314931
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
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.7474(2) 0.31866(9) 0.3244(2) 0.0393(5) Uani 1 1 d . . .
B2 B 0.6353(2) 0.36330(9) 0.4038(2) 0.0377(5) Uani 1 1 d . . .
B3 B 0.8281(2) 0.36791(9) 0.4496(2) 0.0406(5) Uani 1 1 d . . .
B4 B 0.9223(2) 0.30294(10) 0.4251(2) 0.0428(5) Uani 1 1 d . . .
B5 B 0.5944(2) 0.28856(9) 0.3798(2) 0.0377(5) Uani 1 1 d . . .
B6 B 0.5634(2) 0.31899(9) 0.5170(2) 0.0375(5) Uani 1 1 d . . .
B7 B 0.7132(2) 0.36575(10) 0.5732(2) 0.0413(5) Uani 1 1 d . . .
B8 B 0.9151(3) 0.32983(11) 0.5864(2) 0.0443(5) Uani 1 1 d . . .
B9 B 0.9081(3) 0.25570(10) 0.5505(2) 0.0437(5) Uani 1 1 d . . .
B10 B 0.7751(3) 0.25068(10) 0.4032(2) 0.0419(5) Uani 1 1 d . . .
Cl1 Cl 0.39146(5) 0.32434(2) 0.58317(5) 0.0517(2) Uani 1 1 d . . .
N21 N 0.31874(15) 0.36485(6) -0.05030(15) 0.0343(4) Uani 1 1 d . . .
N22 N 0.30309(15) 0.45395(6) -0.20465(14) 0.0327(3) Uani 1 1 d . . .
C11 C 0.26437(18) 0.40056(7) 0.05126(17) 0.0336(4) Uani 1 1 d . . .
C12 C 0.2485(2) 0.37719(9) 0.17101(19) 0.0440(5) Uani 1 1 d . . .
C13 C 0.1993(2) 0.41106(10) 0.2692(2) 0.0502(5) Uani 1 1 d . . .
C14 C 0.1663(2) 0.46699(9) 0.24501(19) 0.0430(5) Uani 1 1 d . . .
C15 C 0.18019(17) 0.49256(8) 0.12180(17) 0.0339(4) Uani 1 1 d . . .
C16 C 0.14428(18) 0.55060(8) 0.09693(19) 0.0385(4) Uani 1 1 d . . .
C17 C 0.1594(2) 0.57545(8) -0.02070(19) 0.0391(4) Uani 1 1 d . . .
C18 C 0.21200(19) 0.54345(8) -0.12029(19) 0.0354(4) Uani 1 1 d . . .
C19 C 0.24723(17) 0.48682(7) -0.10126(16) 0.0300(4) Uani 1 1 d . . .
C20 C 0.23212(16) 0.45913(7) 0.02066(16) 0.0299(4) Uani 1 1 d . . .
C23 C 0.2236(3) 0.31433(9) -0.0908(2) 0.0465(5) Uani 1 1 d . . .
C24 C 0.4753(2) 0.34693(10) -0.0078(3) 0.0494(5) Uani 1 1 d . . .
C25 C 0.2068(3) 0.45734(11) -0.3341(2) 0.0524(6) Uani 1 1 d . . .
C26 C 0.4563(2) 0.47085(11) -0.2163(3) 0.0506(5) Uani 1 1 d . . .
H1 H 0.762(2) 0.3229(8) 0.218(2) 0.047(6) Uiso 1 1 d . . .
H2 H 0.574(2) 0.3984(9) 0.352(2) 0.052(6) Uiso 1 1 d . . .
H3 H 0.885(2) 0.4096(9) 0.434(2) 0.050(6) Uiso 1 1 d . . .
H4 H 1.020(2) 0.3025(9) 0.378(2) 0.053(6) Uiso 1 1 d . . .
H5 H 0.504(2) 0.2728(9) 0.303(2) 0.050(6) Uiso 1 1 d . . .
H7 H 0.706(2) 0.3987(9) 0.643(2) 0.053(6) Uiso 1 1 d . . .
H8 H 1.011(2) 0.3502(9) 0.654(2) 0.055(6) Uiso 1 1 d . . .
H9 H 0.986(2) 0.2227(9) 0.591(2) 0.058(6) Uiso 1 1 d . . .
H10 H 0.777(2) 0.2099(9) 0.3497(19) 0.048(5) Uiso 1 1 d . . .
H67 H 0.671(2) 0.3198(9) 0.620(2) 0.054(6) Uiso 1 1 d . . .
H89 H 0.873(2) 0.2870(10) 0.643(2) 0.065(7) Uiso 1 1 d . . .
H910 H 0.782(2) 0.2369(9) 0.526(2) 0.056(6) Uiso 1 1 d . . .
H12 H 0.273(2) 0.3376(10) 0.187(2) 0.055(6) Uiso 1 1 d . . .
H13 H 0.186(2) 0.3944(10) 0.347(2) 0.056(6) Uiso 1 1 d . . .
H14 H 0.131(2) 0.4907(9) 0.313(2) 0.046(5) Uiso 1 1 d . . .
H16 H 0.112(2) 0.5716(8) 0.1664(19) 0.039(5) Uiso 1 1 d . . .
H17 H 0.135(2) 0.6150(9) -0.040(2) 0.045(5) Uiso 1 1 d . . .
H18 H 0.220(2) 0.5603(9) -0.202(2) 0.040(5) Uiso 1 1 d . . .
H21 H 0.316(3) 0.3947(11) -0.129(2) 0.072(7) Uiso 1 1 d . . .
H23a H 0.228(2) 0.2877(10) -0.019(2) 0.060(6) Uiso 1 1 d . . .
H23b H 0.256(2) 0.2970(10) -0.165(2) 0.053(6) Uiso 1 1 d . . .
H23c H 0.115(3) 0.3286(10) -0.114(2) 0.064(7) Uiso 1 1 d . . .
H24a H 0.532(2) 0.3810(10) 0.017(2) 0.051(6) Uiso 1 1 d . . .
H24b H 0.506(3) 0.3302(10) -0.085(3) 0.061(7) Uiso 1 1 d . . .
H24c H 0.480(3) 0.3194(11) 0.062(3) 0.065(7) Uiso 1 1 d . . .
H25a H 0.107(3) 0.4467(11) -0.322(3) 0.074(8) Uiso 1 1 d . . .
H25b H 0.242(2) 0.4327(10) -0.393(2) 0.056(6) Uiso 1 1 d . . .
H25c H 0.204(3) 0.4967(12) -0.372(2) 0.064(7) Uiso 1 1 d . . .
H26a H 0.459(3) 0.5086(12) -0.250(3) 0.069(7) Uiso 1 1 d . . .
H26b H 0.489(3) 0.4467(11) -0.280(2) 0.064(7) Uiso 1 1 d . . .
H26c H 0.521(3) 0.4669(12) -0.123(3) 0.089(9) Uiso 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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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
B5 B1 B2 62.08(13) . . ?
B5 B1 B10 63.84(13) . . ?
B2 B1 B10 112.25(15) . . ?
B5 B1 B3 107.21(15) . . ?
B2 B1 B3 59.66(12) . . ?
B10 B1 B3 103.80(14) . . ?
B5 B1 B4 115.09(15) . . ?
B2 B1 B4 113.15(15) . . ?
B10 B1 B4 60.58(13) . . ?
B3 B1 B4 59.49(12) . . ?
B5 B1 H1 125.2(10) . . ?
B2 B1 H1 124.4(10) . . ?
B10 B1 H1 119.1(10) . . ?
B3 B1 H1 122.2(10) . . ?
B4 B1 H1 109.7(10) . . ?
B1 B2 B6 104.91(15) . . ?
B1 B2 B3 61.44(13) . . ?
B6 B2 B3 109.00(15) . . ?
B1 B2 B7 107.03(15) . . ?
B6 B2 B7 60.88(12) . . ?
B3 B2 B7 59.93(12) . . ?
B1 B2 B5 58.71(12) . . ?
B6 B2 B5 54.69(11) . . ?
B3 B2 B5 106.01(15) . . ?
B7 B2 B5 102.11(14) . . ?
B1 B2 H2 121.9(11) . . ?
B6 B2 H2 123.0(11) . . ?
B3 B2 H2 120.7(11) . . ?
B7 B2 H2 123.4(11) . . ?
B5 B2 H2 126.0(11) . . ?
B8 B3 B7 70.42(14) . . ?
B8 B3 B2 119.96(16) . . ?
B7 B3 B2 60.11(12) . . ?
B8 B3 B4 60.20(13) . . ?
B7 B3 B4 115.49(16) . . ?
B2 B3 B4 113.48(16) . . ?
B8 B3 B1 109.21(16) . . ?
B7 B3 B1 105.23(15) . . ?
B2 B3 B1 58.90(12) . . ?
B4 B3 B1 60.61(13) . . ?
B8 B3 H3 113.1(10) . . ?
B7 B3 H3 117.8(11) . . ?
B2 B3 H3 118.7(10) . . ?
B4 B3 H3 118.2(11) . . ?
B1 B3 H3 127.1(11) . . ?
B9 B4 B8 61.25(14) . . ?
B9 B4 B3 110.70(16) . . ?
B8 B4 B3 58.68(13) . . ?
B9 B4 B1 113.22(16) . . ?
B8 B4 B1 107.42(15) . . ?
B3 B4 B1 59.91(12) . . ?
B9 B4 B10 60.97(13) . . ?
B8 B4 B10 102.84(15) . . ?
B3 B4 B10 103.01(15) . . ?
B1 B4 B10 59.09(12) . . ?
B9 B4 H4 119.3(11) . . ?
B8 B4 H4 124.7(11) . . ?
B3 B4 H4 121.6(12) . . ?
B1 B4 H4 118.3(11) . . ?
B10 B4 H4 126.3(12) . . ?
B6 B5 B1 110.83(16) . . ?
B6 B5 B2 61.23(12) . . ?
B1 B5 B2 59.21(12) . . ?
B6 B5 B10 111.47(15) . . ?
B1 B5 B10 59.23(12) . . ?
B2 B5 B10 106.42(14) . . ?
B6 B5 H5 122.5(11) . . ?
B1 B5 H5 117.3(11) . . ?
B2 B5 H5 122.4(11) . . ?
B10 B5 H5 119.1(11) . . ?
B5 B6 B2 64.08(13) . . ?
B5 B6 B7 108.46(16) . . ?
B2 B6 B7 59.89(12) . . ?
B5 B6 Cl1 128.63(15) . . ?
B2 B6 Cl1 129.80(14) . . ?
B7 B6 Cl1 120.70(14) . . ?
B5 B6 H67 118.6(9) . . ?
B2 B6 H67 101.7(10) . . ?
B7 B6 H67 45.0(9) . . ?
Cl1 B6 H67 106.8(9) . . ?
B3 B7 B2 59.96(12) . . ?
B3 B7 B6 107.70(15) . . ?
B2 B7 B6 59.22(12) . . ?
B3 B7 B8 54.34(11) . . ?
B2 B7 B8 106.38(15) . . ?
B6 B7 B8 114.84(15) . . ?
B3 B7 H7 124.7(11) . . ?
B2 B7 H7 128.6(11) . . ?
B6 B7 H7 122.4(11) . . ?
B8 B7 H7 114.3(11) . . ?
B3 B7 H67 123.2(10) . . ?
B2 B7 H67 104.1(10) . . ?
B6 B7 H67 48.2(10) . . ?
B8 B7 H67 87.2(10) . . ?
H7 B7 H67 107.8(15) . . ?
B3 B8 B4 61.12(13) . . ?
B3 B8 B9 109.77(16) . . ?
B4 B8 B9 57.69(13) . . ?
B3 B8 B7 55.24(12) . . ?
B4 B8 B7 104.46(14) . . ?
B9 B8 B7 112.95(15) . . ?
B3 B8 H8 119.4(11) . . ?
B4 B8 H8 125.6(11) . . ?
B9 B8 H8 122.5(11) . . ?
B7 B8 H8 118.7(11) . . ?
B3 B8 H89 130.3(10) . . ?
B4 B8 H89 101.7(11) . . ?
B9 B8 H89 46.0(11) . . ?
B7 B8 H89 91.3(11) . . ?
H8 B8 H89 108.4(15) . . ?
B4 B9 B8 61.06(14) . . ?
B4 B9 B10 62.32(13) . . ?
B8 B9 B10 103.65(15) . . ?
B4 B9 H9 128.4(12) . . ?
B8 B9 H9 128.1(12) . . ?
B10 B9 H9 126.3(12) . . ?
B4 B9 H89 103.9(11) . . ?
B8 B9 H89 44.8(11) . . ?
B10 B9 H89 116.4(10) . . ?
H9 B9 H89 110.6(15) . . ?
B4 B9 H910 104.9(10) . . ?
B8 B9 H910 113.3(10) . . ?
B10 B9 H910 46.0(10) . . ?
H9 B9 H910 111.3(16) . . ?
H89 B9 H910 91.1(14) . . ?
B1 B10 B9 110.58(16) . . ?
B1 B10 B4 60.33(12) . . ?
B9 B10 B4 56.72(12) . . ?
B1 B10 B5 56.93(12) . . ?
B9 B10 B5 123.83(16) . . ?
B4 B10 B5 109.05(15) . . ?
B1 B10 H10 124.3(10) . . ?
B9 B10 H10 114.4(10) . . ?
B4 B10 H10 125.6(11) . . ?
B5 B10 H10 115.3(10) . . ?
B1 B10 H910 130.1(10) . . ?
B9 B10 H910 43.3(10) . . ?
B4 B10 H910 97.1(10) . . ?
B5 B10 H910 98.9(10) . . ?
H10 B10 H910 105.2(14) . . ?
C11 N21 C23 113.43(15) . . ?
C11 N21 C24 111.61(15) . . ?
C23 N21 C24 110.71(16) . . ?
C11 N21 H21 100.8(13) . . ?
C23 N21 H21 111.5(13) . . ?
C24 N21 H21 108.3(13) . . ?
C19 N22 C25 112.89(15) . . ?
C19 N22 C26 111.02(15) . . ?
C25 N22 C26 111.16(18) . . ?
C12 C11 C20 122.24(17) . . ?
C12 C11 N21 119.56(16) . . ?
C20 C11 N21 118.19(15) . . ?
C11 C12 C13 120.0(2) . . ?
C11 C12 H12 118.6(14) . . ?
C13 C12 H12 121.4(14) . . ?
C14 C13 C12 120.13(19) . . ?
C14 C13 H13 121.2(14) . . ?
C12 C13 H13 118.6(14) . . ?
C13 C14 C15 121.47(19) . . ?
C13 C14 H14 120.5(12) . . ?
C15 C14 H14 118.0(12) . . ?
C16 C15 C14 121.12(17) . . ?
C16 C15 C20 119.41(16) . . ?
C14 C15 C20 119.47(17) . . ?
C17 C16 C15 121.21(17) . . ?
C17 C16 H16 121.6(12) . . ?
C15 C16 H16 117.2(12) . . ?
C16 C17 C18 120.09(18) . . ?
C16 C17 H17 122.9(12) . . ?
C18 C17 H17 117.0(12) . . ?
C19 C18 C17 120.87(18) . . ?
C19 C18 H18 119.0(12) . . ?
C17 C18 H18 120.1(12) . . ?
C18 C19 C20 120.70(16) . . ?
C18 C19 N22 120.59(15) . . ?
C20 C19 N22 118.70(14) . . ?
C19 C20 C11 125.63(15) . . ?
C19 C20 C15 117.71(15) . . ?
C11 C20 C15 116.66(15) . . ?
N21 C23 H23a 110.5(14) . . ?
N21 C23 H23b 108.5(13) . . ?
H23a C23 H23b 110(2) . . ?
N21 C23 H23c 108.0(13) . . ?
H23a C23 H23c 108.2(19) . . ?
H23b C23 H23c 111.2(18) . . ?
N21 C24 H24a 107.6(13) . . ?
N21 C24 H24b 105.5(14) . . ?
H24a C24 H24b 109.4(19) . . ?
N21 C24 H24c 109.6(15) . . ?
H24a C24 H24c 114(2) . . ?
H24b C24 H24c 110(2) . . ?
N22 C25 H25a 108.9(15) . . ?
N22 C25 H25b 108.8(14) . . ?
H25a C25 H25b 110(2) . . ?
N22 C25 H25c 112.1(14) . . ?
H25a C25 H25c 108(2) . . ?
H25b C25 H25c 108(2) . . ?
N22 C26 H26a 110.6(15) . . ?
N22 C26 H26b 107.2(15) . . ?
H26a C26 H26b 107(2) . . ?
N22 C26 H26c 108.6(16) . . ?
H26a C26 H26c 112(2) . . ?
H26b C26 H26c 112(2) . . ?
B6 H67 B7 86.8(13) . . ?
B8 H89 B9 89.2(15) . . ?
B9 H910 B10 90.7(14) . . ?
N21 H21 N22 159(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
B1 B5 1.738(3) . ?
B1 B2 1.748(3) . ?
B1 B10 1.783(3) . ?
B1 B3 1.793(3) . ?
B1 B4 1.805(3) . ?
B1 H1 1.11(2) . ?
B2 B6 1.752(3) . ?
B2 B3 1.761(3) . ?
B2 B7 1.764(3) . ?
B2 B5 1.798(3) . ?
B2 H2 1.09(2) . ?
B3 B8 1.742(3) . ?
B3 B7 1.761(3) . ?
B3 B4 1.785(3) . ?
B3 H3 1.13(2) . ?
B4 B9 1.709(3) . ?
B4 B8 1.769(3) . ?
B4 B10 1.810(3) . ?
B4 H4 1.08(2) . ?
B5 B6 1.631(3) . ?
B5 B10 1.862(3) . ?
B5 H5 1.11(2) . ?
B6 B7 1.781(3) . ?
B6 Cl1 1.811(2) . ?
B6 H67 1.33(2) . ?
B7 B8 2.019(3) . ?
B7 H7 1.06(2) . ?
B7 H67 1.26(2) . ?
B8 B9 1.772(4) . ?
B8 H8 1.13(2) . ?
B8 H89 1.25(2) . ?
B9 B10 1.787(3) . ?
B9 H9 1.09(2) . ?
B9 H89 1.27(2) . ?
B9 H910 1.23(2) . ?
B10 H10 1.10(2) . ?
B10 H910 1.29(2) . ?
N21 C11 1.474(2) . ?
N21 C23 1.490(2) . ?
N21 C24 1.495(2) . ?
N21 H21 1.06(3) . ?
N22 C19 1.458(2) . ?
N22 C25 1.473(2) . ?
N22 C26 1.482(2) . ?
N22 H21 1.58(3) . ?
C11 C12 1.364(3) . ?
C11 C20 1.427(2) . ?
C12 C13 1.403(3) . ?
C12 H12 0.96(2) . ?
C13 C14 1.358(3) . ?
C13 H13 0.90(2) . ?
C14 C15 1.413(3) . ?
C14 H14 0.98(2) . ?
C15 C16 1.411(3) . ?
C15 C20 1.431(2) . ?
C16 C17 1.357(3) . ?
C16 H16 0.95(2) . ?
C17 C18 1.404(3) . ?
C17 H17 0.97(2) . ?
C18 C19 1.371(2) . ?
C18 H18 0.94(2) . ?
C19 C20 1.426(2) . ?
C23 H23a 0.96(2) . ?
C23 H23b 0.95(2) . ?
C23 H23c 1.04(2) . ?
C24 H24a 0.96(2) . ?
C24 H24b 0.96(3) . ?
C24 H24c 0.96(3) . ?
C25 H25a 0.98(3) . ?
C25 H25b 0.92(3) . ?
C25 H25c 1.00(3) . ?
C26 H26a 0.95(3) . ?
C26 H26b 0.94(3) . ?
C26 H26c 1.04(3) . ?
