#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180169 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/65/7106583.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_7106583
loop_
_publ_author_name
'Gregory Pieters'
'Anne Gaucher'
'Damien Prim'
'Thierry Besson'
'Jose Giner Planas'
'Francesc Teixidor'
'Clara Vinas'
'Mark E Light'
'Michael B. Hursthouse'
_publ_section_title
;
 Binaphthyl platform as starting materials for the preparation of electron
 rich benzo[g,h,i]perylenes. Application to molecular architectures based
 on amino benzo[g,h,i]perylenes and carborane combinations
;
_journal_name_full               Chem.Commun.
_journal_page_first              7725
_journal_paper_doi               10.1039/c1cc12099a
_journal_volume                  47
_journal_year                    2011
_chemical_compound_source        'Jose Giner Planas'
_chemical_formula_sum            'C32 H30 B10 N'
_chemical_formula_weight         536.67
_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                 101.603(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.7059(6)
_cell_length_b                   12.6255(5)
_cell_length_c                   13.7625(4)
_cell_measurement_reflns_used    21341
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     2843.47(17)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_molecular_graphics
;
Images generated using CrystalMaker: a crystal and molecular
structures program for Mac and Windows. CrystalMaker Software Ltd,
Oxford, England (www.crystalmaker.com)
;
_computing_publication_material  'WINGX (Farrugia, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker-Nonius CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ & ω scans to fill the asymmetric unit'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker Nonius FR591 Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0622
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4996
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.97
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.066
_exptl_absorpt_correction_T_max  0.9901
_exptl_absorpt_correction_T_min  0.9868
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS V2.10 (Sheldrick, G.M., 2003)
;
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1116
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.259
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       0.013(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         4996
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0956
_refine_ls_R_factor_gt           0.0667
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0922P)²+1.3020P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1605
_refine_ls_wR_factor_ref         0.1787
_reflns_number_gt                3636
_reflns_number_total             4996
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c1cc12099a.txt
_cod_data_source_block           2010acc1038
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7106583
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
N1 N 0.78554(15) 0.3726(2) -0.04866(17) 0.0251(6) Uani 1 1 d . . .
H901 H 0.813(2) 0.432(3) -0.023(2) 0.037(9) Uiso 1 1 d . . .
C1 C 0.89664(17) 0.2970(2) -0.1192(2) 0.0219(6) Uani 1 1 d . . .
C2 C 0.92428(18) 0.1864(2) -0.0545(2) 0.0276(7) Uani 1 1 d . . .
C3 C 0.8599(2) 0.1255(3) -0.0146(3) 0.0379(8) Uani 1 1 d . . .
H3A H 0.8300 0.1740 0.0208 0.057 Uiso 1 1 calc R . .
H3B H 0.8863 0.0705 0.0311 0.057 Uiso 1 1 calc R . .
H3C H 0.8218 0.0925 -0.0697 0.057 Uiso 1 1 calc R . .
C4 C 0.80423(17) 0.3238(2) -0.1365(2) 0.0237(6) Uani 1 1 d . . .
C5 C 0.77336(16) 0.3867(2) -0.2312(2) 0.0221(6) Uani 1 1 d . . .
C6 C 0.79156(18) 0.4934(2) -0.2378(2) 0.0288(7) Uani 1 1 d . . .
H6 H 0.8270 0.5272 -0.1841 0.035 Uiso 1 1 calc R . .
C7 C 0.75886(19) 0.5507(3) -0.3214(2) 0.0350(8) Uani 1 1 d . . .
H7 H 0.7721 0.6236 -0.3251 0.042 Uiso 1 1 calc R . .
C8 C 0.7074(2) 0.5034(3) -0.3992(2) 0.0370(8) Uani 1 1 d . . .
H8 H 0.6847 0.5437 -0.4565 0.044 Uiso 1 1 calc R . .
C9 C 0.6884(2) 0.3974(3) -0.3946(2) 0.0388(9) Uani 1 1 d . . .
H9 H 0.6525 0.3648 -0.4486 0.047 Uiso 1 1 calc R . .
C10 C 0.72176(18) 0.3378(3) -0.3105(2) 0.0299(7) Uani 1 1 d . . .
H10 H 0.7093 0.2646 -0.3076 0.036 Uiso 1 1 calc R . .
C11 C 0.70577(17) 0.3699(2) -0.0288(2) 0.0225(6) Uani 1 1 d . . .
C12 C 0.69243(17) 0.4207(2) 0.0591(2) 0.0224(6) Uani 1 1 d . . .
C13 C 0.75571(18) 0.4751(2) 0.1257(2) 0.0270(7) Uani 1 1 d . . .
H13 H 0.8089 0.4777 0.1111 0.032 Uiso 1 1 calc R . .
C14 C 0.74239(18) 0.5230(2) 0.2093(2) 0.0268(7) Uani 1 1 d . . .
H14 H 0.7863 0.5582 0.2516 0.032 Uiso 1 1 calc R . .
C15 C 0.66350(18) 0.5214(2) 0.2350(2) 0.0263(7) Uani 1 1 d . . .
C16 C 0.6486(2) 0.5712(3) 0.3193(2) 0.0324(7) Uani 1 1 d . . .
H16 H 0.6920 0.6066 0.3623 0.039 Uiso 1 1 calc R . .
C17 C 0.57209(19) 0.5704(3) 0.3420(2) 0.0332(8) Uani 1 1 d . . .
H17 H 0.5628 0.6060 0.3995 0.040 Uiso 1 1 calc R . .
C18 C 0.5077(2) 0.5169(3) 0.2800(2) 0.0332(8) Uani 1 1 d . . .
H18 H 0.4551 0.5165 0.2965 0.040 Uiso 1 1 calc R . .
C19 C 0.51917(17) 0.4645(2) 0.1952(2) 0.0248(7) Uani 1 1 d . . .
C20 C 0.45322(17) 0.4071(2) 0.1289(2) 0.0216(6) Uani 1 1 d . . .
C21 C 0.37451(19) 0.4002(2) 0.1481(2) 0.0303(7) Uani 1 1 d . . .
H21 H 0.3630 0.4327 0.2061 0.036 Uiso 1 1 calc R . .
C22 C 0.31292(18) 0.3471(3) 0.0845(2) 0.0309(7) Uani 1 1 d . . .
H22 H 0.2599 0.3432 0.0995 0.037 Uiso 1 1 calc R . .
C23 C 0.32745(18) 0.3003(2) 0.0008(2) 0.0289(7) Uani 1 1 d . . .
H23 H 0.2841 0.2648 -0.0422 0.035 Uiso 1 1 calc R . .
C24 C 0.40505(18) 0.3032(2) -0.0234(2) 0.0273(7) Uani 1 1 d . . .
C25 C 0.42306(19) 0.2553(2) -0.1101(2) 0.0295(7) Uani 1 1 d . . .
H25 H 0.3808 0.2195 -0.1544 0.035 Uiso 1 1 calc R . .
C26 C 0.49838(19) 0.2593(2) -0.1313(2) 0.0274(7) Uani 1 1 d . . .
H26 H 0.5079 0.2262 -0.1898 0.033 Uiso 1 1 calc R . .
C27 C 0.56440(17) 0.3126(2) -0.0669(2) 0.0234(6) Uani 1 1 d . . .
C28 C 0.64230(17) 0.3183(2) -0.0903(2) 0.0241(7) Uani 1 1 d . . .
H28 H 0.6515 0.2860 -0.1494 0.029 Uiso 1 1 calc R . .
C29 C 0.61388(16) 0.4161(2) 0.0830(2) 0.0210(6) Uani 1 1 d . . .
C30 C 0.54920(17) 0.3619(2) 0.0196(2) 0.0228(6) Uani 1 1 d . . .
C31 C 0.59858(18) 0.4667(2) 0.1712(2) 0.0233(6) Uani 1 1 d . . .
C32 C 0.46979(17) 0.3574(2) 0.0428(2) 0.0228(6) Uani 1 1 d . . .
B3 B 0.9556(2) 0.3069(3) -0.0007(3) 0.0296(8) Uani 1 1 d . . .
H3 H 0.9336 0.3411 0.0643 0.036 Uiso 1 1 calc R . .
B4 B 0.9743(2) 0.3868(3) -0.0995(3) 0.0305(8) Uani 1 1 d . . .
H4 H 0.9651 0.4746 -0.0995 0.037 Uiso 1 1 calc R . .
B5 B 0.9519(2) 0.3114(3) -0.2115(3) 0.0275(8) Uani 1 1 d . . .
H5 H 0.9280 0.3496 -0.2850 0.033 Uiso 1 1 calc R . .
B6 B 0.9181(2) 0.1856(3) -0.1817(3) 0.0263(8) Uani 1 1 d . . .
H6A H 0.8711 0.1405 -0.2354 0.032 Uiso 1 1 calc R . .
B7 B 1.0227(2) 0.1966(3) 0.0115(3) 0.0322(8) Uani 1 1 d . . .
H7A H 1.0456 0.1579 0.0851 0.039 Uiso 1 1 calc R . .
B8 B 1.0563(2) 0.3227(3) -0.0178(3) 0.0352(9) Uani 1 1 d . . .
H8A H 1.1024 0.3686 0.0364 0.042 Uiso 1 1 calc R . .
B9 B 1.0547(2) 0.3260(3) -0.1484(3) 0.0341(9) Uani 1 1 d . . .
H9A H 1.0995 0.3739 -0.1805 0.041 Uiso 1 1 calc R . .
B10 B 1.0193(2) 0.2004(3) -0.1987(3) 0.0305(8) Uani 1 1 d . . .
H10A H 1.0407 0.1649 -0.2636 0.037 Uiso 1 1 calc R . .
B11 B 0.9991(2) 0.1214(3) -0.0998(3) 0.0317(8) Uani 1 1 d . . .
H11 H 1.0060 0.0331 -0.0995 0.038 Uiso 1 1 calc R . .
B12 B 1.0839(2) 0.2082(3) -0.0786(3) 0.0342(9) Uani 1 1 d . . .
H12 H 1.1483 0.1781 -0.0644 0.041 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'
N N 0.0061 0.0033 '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
C11 N1 C4 121.4(2) . . ?
C4 C1 C2 115.1(2) . . ?
C4 C1 B4 125.6(2) . . ?
C2 C1 B4 110.6(2) . . ?
C4 C1 B5 121.9(2) . . ?
C2 C1 B5 110.4(2) . . ?
B4 C1 B5 62.83(19) . . ?
C4 C1 B6 113.7(2) . . ?
C2 C1 B6 61.39(18) . . ?
B4 C1 B6 113.2(2) . . ?
B5 C1 B6 61.42(19) . . ?
C4 C1 B3 119.3(2) . . ?
C2 C1 B3 60.95(19) . . ?
B4 C1 B3 62.1(2) . . ?
B5 C1 B3 113.5(2) . . ?
B6 C1 B3 113.1(2) . . ?
C3 C2 C1 118.6(2) . . ?
C3 C2 B11 120.8(3) . . ?
C1 C2 B11 110.5(2) . . ?
C3 C2 B7 121.4(3) . . ?
C1 C2 B7 110.7(2) . . ?
B11 C2 B7 62.5(2) . . ?
C3 C2 B3 117.9(3) . . ?
C1 C2 B3 61.30(18) . . ?
B11 C2 B3 113.5(2) . . ?
B7 C2 B3 62.1(2) . . ?
C3 C2 B6 117.5(3) . . ?
C1 C2 B6 60.85(18) . . ?
B11 C2 B6 61.91(19) . . ?
B7 C2 B6 113.0(2) . . ?
B3 C2 B6 113.0(2) . . ?
N1 C4 C5 113.6(2) . . ?
N1 C4 C1 109.9(2) . . ?
C5 C4 C1 113.6(2) . . ?
C6 C5 C10 119.2(3) . . ?
C6 C5 C4 121.4(3) . . ?
C10 C5 C4 119.3(3) . . ?
C7 C6 C5 120.7(3) . . ?
C8 C7 C6 120.4(3) . . ?
C7 C8 C9 120.1(3) . . ?
C8 C9 C10 120.2(3) . . ?
C5 C10 C9 119.4(3) . . ?
C28 C11 N1 122.1(3) . . ?
C28 C11 C12 120.0(2) . . ?
N1 C11 C12 117.8(3) . . ?
C29 C12 C11 119.3(3) . . ?
C29 C12 C13 118.1(3) . . ?
C11 C12 C13 122.6(3) . . ?
C14 C13 C12 122.2(3) . . ?
C13 C14 C15 121.3(3) . . ?
C16 C15 C31 119.4(3) . . ?
C16 C15 C14 122.1(3) . . ?
C31 C15 C14 118.5(3) . . ?
C17 C16 C15 121.2(3) . . ?
C16 C17 C18 120.0(3) . . ?
C19 C18 C17 121.4(3) . . ?
C18 C19 C31 118.4(3) . . ?
C18 C19 C20 122.9(3) . . ?
C31 C19 C20 118.7(2) . . ?
C21 C20 C32 118.8(3) . . ?
C21 C20 C19 122.0(3) . . ?
C32 C20 C19 119.2(2) . . ?
C22 C21 C20 121.3(3) . . ?
C23 C22 C21 120.7(3) . . ?
C22 C23 C24 121.4(3) . . ?
C23 C24 C25 123.3(3) . . ?
C23 C24 C32 118.3(3) . . ?
C25 C24 C32 118.3(3) . . ?
C26 C25 C24 122.0(3) . . ?
C25 C26 C27 121.2(3) . . ?
C28 C27 C30 120.2(3) . . ?
C28 C27 C26 121.0(3) . . ?
C30 C27 C26 118.8(3) . . ?
C11 C28 C27 121.2(3) . . ?
C12 C29 C30 120.2(3) . . ?
C12 C29 C31 120.5(3) . . ?
C30 C29 C31 119.3(2) . . ?
C27 C30 C29 119.1(3) . . ?
C27 C30 C32 120.3(3) . . ?
C29 C30 C32 120.6(3) . . ?
C15 C31 C19 119.5(3) . . ?
C15 C31 C29 119.4(3) . . ?
C19 C31 C29 121.1(3) . . ?
C20 C32 C30 121.1(3) . . ?
C20 C32 C24 119.5(3) . . ?
C30 C32 C24 119.4(3) . . ?
C2 B3 C1 57.75(18) . . ?
C2 B3 B8 105.0(2) . . ?
C1 B3 B8 105.1(2) . . ?
C2 B3 B4 104.9(2) . . ?
C1 B3 B4 58.19(18) . . ?
B8 B3 B4 60.7(2) . . ?
C2 B3 B7 58.68(19) . . ?
C1 B3 B7 105.1(2) . . ?
B8 B3 B7 59.9(2) . . ?
B4 B3 B7 108.3(2) . . ?
C1 B4 B3 59.75(19) . . ?
C1 B4 B8 105.2(3) . . ?
B3 B4 B8 59.3(2) . . ?
C1 B4 B5 59.13(18) . . ?
B3 B4 B5 108.7(2) . . ?
B8 B4 B5 107.7(3) . . ?
C1 B4 B9 105.0(2) . . ?
B3 B4 B9 107.8(3) . . ?
B8 B4 B9 60.3(2) . . ?
B5 B4 B9 59.3(2) . . ?
C1 B5 B6 59.30(18) . . ?
C1 B5 B9 105.1(2) . . ?
B6 B5 B9 107.7(3) . . ?
C1 B5 B10 105.4(2) . . ?
B6 B5 B10 59.6(2) . . ?
B9 B5 B10 60.2(2) . . ?
C1 B5 B4 58.04(18) . . ?
B6 B5 B4 107.5(2) . . ?
B9 B5 B4 60.4(2) . . ?
B10 B5 B4 108.3(3) . . ?
C1 B6 C2 57.76(17) . . ?
C1 B6 B5 59.28(17) . . ?
C2 B6 B5 105.8(2) . . ?
C1 B6 B10 106.3(2) . . ?
C2 B6 B10 105.6(2) . . ?
B5 B6 B10 60.8(2) . . ?
C1 B6 B11 105.3(2) . . ?
C2 B6 B11 58.52(19) . . ?
B5 B6 B11 108.7(3) . . ?
B10 B6 B11 60.2(2) . . ?
C2 B7 B8 105.2(2) . . ?
C2 B7 B12 105.3(2) . . ?
B8 B7 B12 60.5(2) . . ?
C2 B7 B3 59.25(19) . . ?
B8 B7 B3 59.6(2) . . ?
B12 B7 B3 108.2(3) . . ?
C2 B7 B11 58.73(19) . . ?
B8 B7 B11 108.1(3) . . ?
B12 B7 B11 59.9(2) . . ?
B3 B7 B11 108.1(2) . . ?
B3 B8 B7 60.6(2) . . ?
B3 B8 B12 108.5(3) . . ?
B7 B8 B12 59.8(2) . . ?
B3 B8 B4 60.1(2) . . ?
B7 B8 B4 108.4(3) . . ?
B12 B8 B4 108.2(3) . . ?
B3 B8 B9 108.4(3) . . ?
B7 B8 B9 108.0(3) . . ?
B12 B8 B9 60.0(2) . . ?
B4 B8 B9 60.1(2) . . ?
B5 B9 B10 60.3(2) . . ?
B5 B9 B12 108.1(3) . . ?
B10 B9 B12 60.1(2) . . ?
B5 B9 B4 60.20(19) . . ?
B10 B9 B4 108.2(2) . . ?
B12 B9 B4 107.4(3) . . ?
B5 B9 B8 107.8(2) . . ?
B10 B9 B8 107.8(3) . . ?
B12 B9 B8 59.6(2) . . ?
B4 B9 B8 59.6(2) . . ?
B6 B10 B11 60.2(2) . . ?
B6 B10 B9 107.1(2) . . ?
B11 B10 B9 107.6(2) . . ?
B6 B10 B5 59.52(19) . . ?
B11 B10 B5 107.7(2) . . ?
B9 B10 B5 59.5(2) . . ?
B6 B10 B12 107.5(2) . . ?
B11 B10 B12 59.6(2) . . ?
B9 B10 B12 60.0(2) . . ?
B5 B10 B12 107.5(2) . . ?
C2 B11 B12 105.1(2) . . ?
C2 B11 B6 59.57(18) . . ?
B12 B11 B6 107.8(3) . . ?
C2 B11 B10 106.0(2) . . ?
B12 B11 B10 60.5(2) . . ?
B6 B11 B10 59.6(2) . . ?
C2 B11 B7 58.81(19) . . ?
B12 B11 B7 59.7(2) . . ?
B6 B11 B7 108.2(2) . . ?
B10 B11 B7 108.5(3) . . ?
B7 B12 B11 60.4(2) . . ?
B7 B12 B8 59.6(2) . . ?
B11 B12 B8 107.8(3) . . ?
B7 B12 B9 108.2(3) . . ?
B11 B12 B9 107.7(3) . . ?
B8 B12 B9 60.4(2) . . ?
B7 B12 B10 108.5(2) . . ?
B11 B12 B10 59.9(2) . . ?
B8 B12 B10 108.3(3) . . ?
B9 B12 B10 59.9(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
N1 C11 1.413(4) . ?
N1 C4 1.446(4) . ?
C1 C4 1.551(4) . ?
C1 C2 1.670(4) . ?
C1 B4 1.704(4) . ?
C1 B5 1.724(4) . ?
C1 B6 1.724(4) . ?
C1 B3 1.732(4) . ?
C2 C3 1.513(4) . ?
C2 B11 1.714(4) . ?
C2 B7 1.715(5) . ?
C2 B3 1.726(5) . ?
C2 B6 1.733(4) . ?
C4 C5 1.524(4) . ?
C5 C6 1.389(4) . ?
C5 C10 1.392(4) . ?
C6 C7 1.375(4) . ?
C7 C8 1.368(5) . ?
C8 C9 1.380(5) . ?
C9 C10 1.399(5) . ?
C11 C28 1.379(4) . ?
C11 C12 1.426(4) . ?
C12 C29 1.417(4) . ?
C12 C13 1.428(4) . ?
C13 C14 1.357(4) . ?
C14 C15 1.432(4) . ?
C15 C16 1.385(4) . ?
C15 C31 1.429(4) . ?
C16 C17 1.375(4) . ?
C17 C18 1.404(5) . ?
C18 C19 1.388(4) . ?
C19 C31 1.430(4) . ?
C19 C20 1.472(4) . ?
C20 C21 1.395(4) . ?
C20 C32 1.416(4) . ?
C21 C22 1.383(4) . ?
C22 C23 1.359(4) . ?
C23 C24 1.403(4) . ?
C24 C25 1.423(4) . ?
C24 C32 1.440(4) . ?
C25 C26 1.348(4) . ?
C26 C27 1.436(4) . ?
C27 C28 1.404(4) . ?
C27 C30 1.411(4) . ?
C29 C30 1.420(4) . ?
C29 C31 1.440(4) . ?
C30 C32 1.426(4) . ?
B3 B8 1.756(5) . ?
B3 B4 1.771(5) . ?
B3 B7 1.774(5) . ?
B4 B8 1.781(5) . ?
B4 B5 1.787(5) . ?
B4 B9 1.791(5) . ?
B5 B6 1.760(5) . ?
B5 B9 1.771(5) . ?
B5 B10 1.784(5) . ?
B6 B10 1.763(5) . ?
B6 B11 1.773(5) . ?
B7 B8 1.762(6) . ?
B7 B12 1.765(5) . ?
B7 B11 1.778(5) . ?
B8 B12 1.777(5) . ?
B8 B9 1.793(5) . ?
B9 B10 1.783(5) . ?
B9 B12 1.785(6) . ?
B10 B11 1.774(5) . ?
B10 B12 1.786(5) . ?
B11 B12 1.769(5) . ?
