#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:33:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179146 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/07/4310755.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_4310755
loop_
_publ_author_name
'Daniel E. Kadlecek'
'Daewon Hong'
'Patrick J. Carroll'
'Larry G. Sneddon'
_publ_section_title
;
 Reactions of arachno-6,8-C2B7H12- with Electron Deficient Olefins:
 Syntheses of Cyano-Substituted Carboranes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1933
_journal_page_last               1942
_journal_paper_doi               10.1021/ic035357t
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C22 H31 B7 N6'
_chemical_formula_weight         455.20
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.3710(10)
_cell_angle_beta                 109.8320(10)
_cell_angle_gamma                113.223(2)
_cell_formula_units_Z            2
_cell_length_a                   12.6782(3)
_cell_length_b                   12.8430(3)
_cell_length_c                   9.4842(2)
_cell_measurement_temperature    200(2)
_cell_volume                     1317.30(6)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SIR92 (Altomare, 1993)'
_diffrn_ambient_temperature      200(2)
_diffrn_measurement_device       'image plate area detector'
_diffrn_measurement_device_type  'Rigaku R-AXIS IIc'
_diffrn_measurement_method       'phi oscillations'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0201
_diffrn_reflns_av_sigmaI/netI    0.0187
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10742
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    0.066
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.148
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.161
_refine_diff_density_min         -0.113
_refine_diff_density_rms         0.026
_refine_ls_extinction_coef       0.0279(26)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.111
_refine_ls_goodness_of_fit_obs   1.138
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         4410
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_restrained_S_obs      1.138
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_obs          0.0485
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0472P)²+0.2719P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1188
_refine_ls_wR_factor_obs         0.1146
_reflns_number_observed          3946
_reflns_number_total             4410
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic035357tsi20031119_020808.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0472P)^2^+0.2719P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0472P)^2^+0.2719P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1317.30(5)
_cod_database_code               4310755
loop_
_symmetry_equiv_pos_as_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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
C6 C 0.6485(2) 0.0536(2) 0.2217(2) 0.0683(5) Uani 1 d . .
C8 C 0.9568(2) 0.22748(14) 0.4469(2) 0.0537(4) Uani 1 d . .
B1 B 0.8452(2) 0.2052(2) 0.1394(3) 0.0709(6) Uani 1 d . .
B2 B 0.7226(2) 0.1874(2) 0.1924(3) 0.0679(6) Uani 1 d . .
B3 B 0.8633(2) 0.2705(2) 0.3303(3) 0.0621(5) Uani 1 d . .
B4 B 0.8769(2) 0.0876(2) 0.1388(3) 0.0743(6) Uani 1 d . .
B5 B 0.7181(2) 0.0656(2) 0.0927(3) 0.0763(6) Uani 1 d . .
B7 B 0.7040(2) 0.1650(2) 0.3629(3) 0.0633(5) Uani 1 d . .
B9 B 0.9759(2) 0.2017(2) 0.2977(3) 0.0619(5) Uani 1 d . .
C10 C 0.90041(14) 0.13746(13) 0.5390(2) 0.0490(4) Uani 1 d . .
C11 C 0.7807(2) 0.14982(14) 0.5338(2) 0.0557(4) Uani 1 d . .
C12 C 0.86717(14) 0.01696(14) 0.4803(2) 0.0516(4) Uani 1 d . .
C14 C 0.9888(2) 0.16129(15) 0.6969(2) 0.0595(4) Uani 1 d . .
C16 C 0.7003(2) 0.0547(2) 0.5876(2) 0.0651(5) Uani 1 d . .
C18 C 0.8225(2) 0.2587(2) 0.6328(3) 0.0722(5) Uani 1 d . .
N13 N 0.84320(14) -0.07536(13) 0.4375(2) 0.0708(5) Uani 1 d . .
N15 N 1.0570(2) 0.1846(2) 0.8195(2) 0.0847(5) Uani 1 d . .
N17 N 0.6359(2) -0.0221(2) 0.6219(3) 0.0942(6) Uani 1 d . .
N19 N 0.8561(2) 0.3447(2) 0.7052(3) 0.1039(7) Uani 1 d . .
C20 C 0.64936(14) 0.45598(12) 0.8517(2) 0.0466(4) Uani 1 d . .
C21 C 0.6416(2) 0.34789(14) 0.8282(2) 0.0611(5) Uani 1 d . .
C22 C 0.5380(2) 0.2631(2) 0.7154(3) 0.0726(5) Uani 1 d . .
C23 C 0.4444(2) 0.2878(2) 0.6300(2) 0.0706(5) Uani 1 d . .
C24 C 0.4478(2) 0.3985(2) 0.6510(2) 0.0581(4) Uani 1 d . .
C25 C 0.55343(14) 0.48646(13) 0.7645(2) 0.0471(4) Uani 1 d . .
C26 C 0.5540(2) 0.59729(14) 0.7802(2) 0.0511(4) Uani 1 d . .
C27 C 0.4579(2) 0.6183(2) 0.6881(2) 0.0720(5) Uani 1 d . .
C28 C 0.3549(2) 0.5311(3) 0.5783(3) 0.0848(7) Uani 1 d . .
C29 C 0.3498(2) 0.4244(2) 0.5610(2) 0.0759(6) Uani 1 d . .
C31 C 0.8729(2) 0.5705(2) 0.9348(4) 0.0795(7) Uani 1 d . .
C32 C 0.7743(3) 0.5165(2) 1.1234(3) 0.0845(7) Uani 1 d . .
C34 C 0.7260(3) 0.7880(2) 0.8357(3) 0.0744(6) Uani 1 d . .
C35 C 0.6253(2) 0.7238(2) 1.0176(3) 0.0763(6) Uani 1 d . .
N30 N 0.75953(12) 0.54463(11) 0.96835(15) 0.0484(3) Uani 1 d . .
N33 N 0.65994(13) 0.68774(11) 0.89755(15) 0.0509(3) Uani 1 d . .
H1 H 0.8578(18) 0.2584(16) 0.0533(23) 0.080(6) Uiso 1 d . .
H2 H 0.6563(19) 0.2209(16) 0.1253(23) 0.083(6) Uiso 1 d . .
H3 H 0.8900(17) 0.3626(16) 0.3384(22) 0.075(5) Uiso 1 d . .
H4 H 0.9065(18) 0.0687(16) 0.0485(24) 0.083(6) Uiso 1 d . .
H5 H 0.6548(19) 0.0235(16) -0.0246(25) 0.082(6) Uiso 1 d . .
H6A H 0.5592(20) 0.0162(17) 0.1696(23) 0.079(6) Uiso 1 d . .
H6B H 0.6811(19) 0.0010(17) 0.2807(24) 0.079(6) Uiso 1 d . .
H7 H 0.6365(18) 0.1951(16) 0.3693(22) 0.077(5) Uiso 1 d . .
H8 H 1.0301(17) 0.2904(15) 0.5207(21) 0.066(5) Uiso 1 d . .
H9 H 1.0656(18) 0.2486(15) 0.2883(21) 0.071(5) Uiso 1 d . .
H45 H 0.7871(18) 0.0046(16) 0.1458(22) 0.076(5) Uiso 1 d . .
H49 H 0.9454(18) 0.0880(16) 0.2654(23) 0.075(5) Uiso 1 d . .
H21 H 0.7070(18) 0.3317(16) 0.8894(23) 0.072(6) Uiso 1 d . .
H22 H 0.5364(19) 0.1844(19) 0.7002(25) 0.089(6) Uiso 1 d . .
H23 H 0.3710(21) 0.2314(19) 0.5494(26) 0.089(6) Uiso 1 d . .
H27 H 0.4634(20) 0.6963(19) 0.7011(25) 0.092(7) Uiso 1 d . .
H28 H 0.2901(24) 0.5464(21) 0.5205(30) 0.110(8) Uiso 1 d . .
H29 H 0.2806(22) 0.3615(19) 0.4892(27) 0.091(7) Uiso 1 d . .
H30 H 0.7335(18) 0.6225(17) 0.9545(22) 0.081(6) Uiso 1 d . .
H31A H 0.8528(28) 0.5882(25) 0.8262(38) 0.135(11) Uiso 1 d . .
H31B H 0.8908(23) 0.5035(23) 0.9402(29) 0.114(8) Uiso 1 d . .
H31C H 0.9394(21) 0.6380(19) 1.0105(25) 0.086(6) Uiso 1 d . .
H32A H 0.7916(25) 0.4508(25) 1.1284(31) 0.121(9) Uiso 1 d . .
H32B H 0.8457(22) 0.5847(21) 1.1958(27) 0.096(7) Uiso 1 d . .
H32C H 0.6956(32) 0.4981(27) 1.1411(37) 0.152(13) Uiso 1 d . .
H34A H 0.7492(22) 0.7588(20) 0.7535(30) 0.107(8) Uiso 1 d . .
H34B H 0.8022(23) 0.8429(20) 0.9237(28) 0.095(7) Uiso 1 d . .
H34C H 0.6692(21) 0.8200(19) 0.7879(26) 0.090(7) Uiso 1 d . .
H35A H 0.5820(22) 0.6500(22) 1.0542(27) 0.099(8) Uiso 1 d . .
H35B H 0.7030(22) 0.7784(19) 1.1000(27) 0.089(7) Uiso 1 d . .
H35C H 0.5691(23) 0.7635(20) 0.9734(28) 0.104(8) Uiso 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'
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
B2 C6 B7 61.36(13) . . ?
B2 C6 B5 63.87(14) . . ?
B7 C6 B5 119.7(2) . . ?
B2 C6 H6A 117.3(12) . . ?
B7 C6 H6A 116.4(11) . . ?
B5 C6 H6A 109.6(12) . . ?
B2 C6 H6B 130.9(12) . . ?
B7 C6 H6B 99.9(12) . . ?
B5 C6 H6B 97.2(11) . . ?
H6A C6 H6B 111.6(17) . . ?
C10 C8 B9 126.17(15) . . ?
C10 C8 B3 115.59(14) . . ?
B9 C8 B3 80.54(14) . . ?
C10 C8 H8 106.9(11) . . ?
B9 C8 H8 112.5(10) . . ?
B3 C8 H8 113.2(11) . . ?
B4 B1 B2 114.8(2) . . ?
B4 B1 B5 62.08(15) . . ?
B2 B1 B5 61.15(14) . . ?
B4 B1 B9 60.79(14) . . ?
B2 B1 B9 111.8(2) . . ?
B5 B1 B9 108.1(2) . . ?
B4 B1 B3 115.8(2) . . ?
B2 B1 B3 56.26(13) . . ?
B5 B1 B3 105.9(2) . . ?
B9 B1 B3 66.72(13) . . ?
B4 B1 H1 118.2(10) . . ?
B2 B1 H1 116.9(11) . . ?
B5 B1 H1 121.0(11) . . ?
B9 B1 H1 122.5(11) . . ?
B3 B1 H1 120.0(10) . . ?
C6 B2 B3 116.4(2) . . ?
C6 B2 B7 59.78(13) . . ?
B3 B2 B7 74.13(14) . . ?
C6 B2 B1 113.8(2) . . ?
B3 B2 B1 66.81(14) . . ?
B7 B2 B1 130.9(2) . . ?
C6 B2 B5 58.90(14) . . ?
B3 B2 B5 114.4(2) . . ?
B7 B2 B5 113.8(2) . . ?
B1 B2 B5 61.48(14) . . ?
C6 B2 H2 111.1(10) . . ?
B3 B2 H2 124.1(10) . . ?
B7 B2 H2 108.6(10) . . ?
B1 B2 H2 117.5(10) . . ?
B5 B2 H2 114.4(10) . . ?
C8 B3 B2 127.3(2) . . ?
C8 B3 B1 102.48(15) . . ?
B2 B3 B1 56.92(13) . . ?
C8 B3 B9 49.01(10) . . ?
B2 B3 B9 102.90(15) . . ?
B1 B3 B9 55.34(11) . . ?
C8 B3 B7 98.04(12) . . ?
B2 B3 B7 53.17(12) . . ?
B1 B3 B7 104.54(15) . . ?
B9 B3 B7 119.43(13) . . ?
C8 B3 H3 117.8(10) . . ?
B2 B3 H3 114.9(10) . . ?
B1 B3 H3 111.7(10) . . ?
B9 B3 H3 120.5(10) . . ?
B7 B3 H3 119.9(10) . . ?
B1 B4 B9 63.08(14) . . ?
B1 B4 B5 61.39(14) . . ?
B9 B4 B5 109.3(2) . . ?
B1 B4 H4 118.2(11) . . ?
B9 B4 H4 123.3(10) . . ?
B5 B4 H4 119.8(11) . . ?
B1 B4 H45 107.4(9) . . ?
B9 B4 H45 120.9(9) . . ?
B5 B4 H45 49.2(9) . . ?
H4 B4 H45 112.4(13) . . ?
B1 B4 H49 109.7(9) . . ?
B9 B4 H49 49.1(9) . . ?
B5 B4 H49 123.6(9) . . ?
H4 B4 H49 112.7(14) . . ?
H45 B4 H49 93.5(13) . . ?
C6 B5 B2 57.23(13) . . ?
C6 B5 B1 108.7(2) . . ?
B2 B5 B1 57.37(13) . . ?
C6 B5 B4 124.9(2) . . ?
B2 B5 B4 106.8(2) . . ?
B1 B5 B4 56.53(14) . . ?
C6 B5 H5 115.2(10) . . ?
B2 B5 H5 125.3(10) . . ?
B1 B5 H5 123.7(10) . . ?
B4 B5 H5 115.2(10) . . ?
C6 B5 H45 101.3(8) . . ?
B2 B5 H45 128.0(8) . . ?
B1 B5 H45 97.0(8) . . ?
B4 B5 H45 43.1(8) . . ?
H5 B5 H45 106.7(13) . . ?
C11 B7 C6 116.43(15) . . ?
C11 B7 B2 139.2(2) . . ?
C6 B7 B2 58.86(13) . . ?
C11 B7 B3 93.17(13) . . ?
C6 B7 B3 99.44(14) . . ?
B2 B7 B3 52.70(12) . . ?
C11 B7 H7 108.9(11) . . ?
C6 B7 H7 115.0(10) . . ?
B2 B7 H7 108.6(10) . . ?
B3 B7 H7 122.4(10) . . ?
C8 B9 B4 129.5(2) . . ?
C8 B9 B1 106.4(2) . . ?
B4 B9 B1 56.12(13) . . ?
C8 B9 B3 50.45(11) . . ?
B4 B9 B3 104.83(14) . . ?
B1 B9 B3 57.94(12) . . ?
C8 B9 H9 119.8(10) . . ?
B4 B9 H9 110.0(10) . . ?
B1 B9 H9 114.0(10) . . ?
B3 B9 H9 126.7(9) . . ?
C8 B9 H49 110.3(8) . . ?
B4 B9 H49 42.6(9) . . ?
B1 B9 H49 96.8(9) . . ?
B3 B9 H49 125.6(8) . . ?
H9 B9 H49 107.2(12) . . ?
C14 C10 C12 105.97(13) . . ?
C14 C10 C8 110.25(14) . . ?
C12 C10 C8 115.07(14) . . ?
C14 C10 C11 110.83(14) . . ?
C12 C10 C11 109.34(13) . . ?
C8 C10 C11 105.44(12) . . ?
C16 C11 C18 109.2(2) . . ?
C16 C11 C10 113.01(13) . . ?
C18 C11 C10 106.69(14) . . ?
C16 C11 B7 111.05(15) . . ?
C18 C11 B7 105.67(15) . . ?
C10 C11 B7 110.79(14) . . ?
N13 C12 C10 178.9(2) . . ?
N15 C14 C10 176.8(2) . . ?
N17 C16 C11 176.5(2) . . ?
N19 C18 C11 177.5(2) . . ?
C21 C20 C25 121.6(2) . . ?
C21 C20 N30 120.07(15) . . ?
C25 C20 N30 118.28(13) . . ?
C20 C21 C22 120.6(2) . . ?
C20 C21 H21 118.5(12) . . ?
C22 C21 H21 120.9(12) . . ?
C23 C22 C21 119.9(2) . . ?
C23 C22 H22 121.9(13) . . ?
C21 C22 H22 118.2(13) . . ?
C22 C23 C24 121.5(2) . . ?
C22 C23 H23 122.5(13) . . ?
C24 C23 H23 116.0(13) . . ?
C29 C24 C23 121.5(2) . . ?
C29 C24 C25 119.2(2) . . ?
C23 C24 C25 119.3(2) . . ?
C20 C25 C26 125.53(14) . . ?
C20 C25 C24 116.95(14) . . ?
C26 C25 C24 117.52(15) . . ?
C27 C26 C25 120.9(2) . . ?
C27 C26 N33 120.7(2) . . ?
C25 C26 N33 118.39(14) . . ?
C26 C27 C28 120.9(2) . . ?
C26 C27 H27 118.1(14) . . ?
C28 C27 H27 121.1(13) . . ?
C29 C28 C27 120.2(2) . . ?
C29 C28 H28 120.5(16) . . ?
C27 C28 H28 119.3(16) . . ?
C28 C29 C24 121.3(2) . . ?
C28 C29 H29 123.4(14) . . ?
C24 C29 H29 115.3(14) . . ?
N30 C31 H31A 106.0(17) . . ?
N30 C31 H31B 109.5(15) . . ?
H31A C31 H31B 109.7(23) . . ?
N30 C31 H31C 106.2(12) . . ?
H31A C31 H31C 112.2(21) . . ?
H31B C31 H31C 113.0(21) . . ?
N30 C32 H32A 106.7(17) . . ?
N30 C32 H32B 106.6(13) . . ?
H32A C32 H32B 111.3(23) . . ?
N30 C32 H32C 110.0(19) . . ?
H32A C32 H32C 109.5(24) . . ?
H32B C32 H32C 112.5(23) . . ?
N33 C34 H34A 108.2(13) . . ?
N33 C34 H34B 107.5(13) . . ?
H34A C34 H34B 111.9(19) . . ?
N33 C34 H34C 107.0(14) . . ?
H34A C34 H34C 108.4(19) . . ?
H34B C34 H34C 113.7(19) . . ?
N33 C35 H35A 105.5(13) . . ?
N33 C35 H35B 107.8(12) . . ?
H35A C35 H35B 112.0(19) . . ?
N33 C35 H35C 109.4(14) . . ?
H35A C35 H35C 112.1(19) . . ?
H35B C35 H35C 109.8(19) . . ?
C20 N30 C32 112.01(15) . . ?
C20 N30 C31 112.00(14) . . ?
C32 N30 C31 112.3(2) . . ?
C20 N30 H30 100.4(10) . . ?
C32 N30 H30 109.4(10) . . ?
C31 N30 H30 110.0(9) . . ?
C26 N33 C34 113.10(15) . . ?
C26 N33 C35 111.90(15) . . ?
C34 N33 C35 111.0(2) . . ?
C26 N33 H30 98.1(8) . . ?
C34 N33 H30 111.3(8) . . ?
C35 N33 H30 110.9(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
C6 B2 1.680(3) . ?
C6 B7 1.696(3) . ?
C6 B5 1.711(3) . ?
C6 H6A 0.97(2) . ?
C6 H6B 1.00(2) . ?
C8 C10 1.547(2) . ?
C8 B9 1.569(3) . ?
C8 B3 1.603(3) . ?
C8 H8 0.98(2) . ?
B1 B4 1.710(4) . ?
B1 B2 1.725(3) . ?
B1 B5 1.799(3) . ?
B1 B9 1.836(3) . ?
B1 B3 1.892(4) . ?
B1 H1 1.08(2) . ?
B2 B3 1.712(3) . ?
B2 B7 1.722(3) . ?
B2 B5 1.794(4) . ?
B2 H2 1.11(2) . ?
B3 B9 2.051(3) . ?
B3 B7 2.070(3) . ?
B3 H3 1.09(2) . ?
B4 B9 1.797(3) . ?
B4 B5 1.811(4) . ?
B4 H4 1.10(2) . ?
B4 H45 1.24(2) . ?
B4 H49 1.22(2) . ?
B5 H5 1.10(2) . ?
B5 H45 1.37(2) . ?
B7 C11 1.641(3) . ?
B7 H7 1.09(2) . ?
B9 H9 1.09(2) . ?
B9 H49 1.36(2) . ?
C10 C14 1.476(3) . ?
C10 C12 1.482(2) . ?
C10 C11 1.572(2) . ?
C11 C16 1.474(2) . ?
C11 C18 1.476(3) . ?
C12 N13 1.135(2) . ?
C14 N15 1.139(2) . ?
C16 N17 1.137(2) . ?
C18 N19 1.138(3) . ?
C20 C21 1.364(2) . ?
C20 C25 1.419(2) . ?
C20 N30 1.467(2) . ?
C21 C22 1.400(3) . ?
C21 H21 0.94(2) . ?
C22 C23 1.346(3) . ?
C22 H22 1.01(2) . ?
C23 C24 1.416(3) . ?
C23 H23 0.98(2) . ?
C24 C29 1.413(3) . ?
C24 C25 1.429(2) . ?
C25 C26 1.427(2) . ?
C26 C27 1.364(2) . ?
C26 N33 1.460(2) . ?
C27 C28 1.398(3) . ?
C27 H27 0.98(2) . ?
C28 C29 1.351(3) . ?
C28 H28 0.92(3) . ?
C29 H29 0.96(2) . ?
C31 N30 1.487(2) . ?
C31 H31A 1.02(3) . ?
C31 H31B 0.97(3) . ?
C31 H31C 0.99(2) . ?
C32 N30 1.484(2) . ?
C32 H32A 0.95(3) . ?
C32 H32B 1.00(2) . ?
C32 H32C 1.00(3) . ?
C34 N33 1.482(2) . ?
C34 H34A 1.04(3) . ?
C34 H34B 1.02(2) . ?
C34 H34C 0.95(2) . ?
C35 N33 1.482(2) . ?
C35 H35A 1.02(3) . ?
C35 H35B 1.00(2) . ?
C35 H35C 1.02(3) . ?
N30 H30 1.17(2) . ?
N33 H30 1.46(2) . ?
