#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:32:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179115 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/77/4307793.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_4307793
loop_
_publ_author_name
'Jari Konu'
'Maravanji S. Balakrishna'
'Tristram Chivers'
'Thomas W. Swaddle'
_publ_contact_author             'Professor Tristram Chivers'
_publ_contact_author_email       chivers@ucalgary.ca
_publ_section_title
;
New Bonding Modes for Boraamidinate Ligands in Heavy Group 15 Complexes:
Fluxional Behavior of the 1:2 Complexes, LiM[PhB(NtBu)2]2 (M = As, Sb, Bi)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2627
_journal_page_last               2636
_journal_paper_doi               10.1021/ic0622757
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C42 H69 B3 Bi2 N6'
_chemical_formula_sum            'C42 H69 B3 Bi2 N6'
_chemical_formula_weight         1108.42
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 120.23(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.239(4)
_cell_length_b                   17.659(4)
_cell_length_c                   15.205(3)
_cell_measurement_reflns_used    12211
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      3.50
_cell_volume                     4695(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'DIAMOND (Brandenburg & Berndt, 1999)'
_computing_publication_material  'WinGX v1.70-01 (L. J. Farrugia)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'KappaCCD (Nonius, FR540C)'
_diffrn_measurement_method       'phiω scans'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'Enraf Nonius FR590D, fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0522
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12211
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.519
_exptl_absorpt_correction_T_max  0.8200
_exptl_absorpt_correction_T_min  0.7333
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (SHELXTL-NT v5.1, Bruker)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.964
_refine_diff_density_min         -0.925
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         4113
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0312
_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)+(0.0206P)²+13.0285P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0574
_refine_ls_wR_factor_ref         0.0637
_reflns_number_gt                3132
_reflns_number_total             4113
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0622757si20070112_014747_5.cif
_cod_data_source_block           compound_2c
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4307793
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Bi1 Bi 0.102551(12) 0.026813(12) 0.770605(16) 0.03185(8) Uani 1 1 d . . .
N1 N 0.2252(3) 0.0423(2) 0.8516(3) 0.0361(12) Uani 1 1 d . . .
N2 N 0.1681(3) -0.0581(2) 0.8882(3) 0.0352(11) Uani 1 1 d . . .
N3 N 0.0571(2) 0.1103(2) 0.8352(3) 0.0279(10) Uani 1 1 d . . .
B1 B 0.2393(4) -0.0312(4) 0.8985(5) 0.0340(15) Uani 1 1 d . . .
B2 B 0.0000 0.1548(5) 0.7500 0.031(2) Uani 1 2 d S . .
C1 C 0.2739(3) 0.0908(3) 0.8287(5) 0.0413(15) Uani 1 1 d . . .
C2 C 0.3440(4) 0.1172(4) 0.9281(5) 0.067(2) Uani 1 1 d . . .
H2A H 0.3745 0.0731 0.9659 0.100 Uiso 1 1 calc R . .
H2B H 0.3271 0.1444 0.9694 0.100 Uiso 1 1 calc R . .
H2C H 0.3751 0.1509 0.9124 0.100 Uiso 1 1 calc R . .
C3 C 0.2994(4) 0.0498(4) 0.7619(5) 0.0566(19) Uani 1 1 d . . .
H3A H 0.2543 0.0335 0.6985 0.085 Uiso 1 1 calc R . .
H3B H 0.3301 0.0054 0.7984 0.085 Uiso 1 1 calc R . .
H3C H 0.3301 0.0842 0.7462 0.085 Uiso 1 1 calc R . .
C4 C 0.2274(4) 0.1605(3) 0.7714(5) 0.0552(19) Uani 1 1 d . . .
H4A H 0.1827 0.1447 0.7071 0.083 Uiso 1 1 calc R . .
H4B H 0.2592 0.1945 0.7572 0.083 Uiso 1 1 calc R . .
H4C H 0.2103 0.1870 0.8131 0.083 Uiso 1 1 calc R . .
C5 C 0.1448(3) -0.1336(3) 0.9019(5) 0.0395(15) Uani 1 1 d . . .
C6 C 0.2030(4) -0.1636(4) 1.0072(5) 0.0581(19) Uani 1 1 d . . .
H6A H 0.2071 -0.1281 1.0594 0.087 Uiso 1 1 calc R . .
H6B H 0.2529 -0.1688 1.0121 0.087 Uiso 1 1 calc R . .
H6C H 0.1862 -0.2131 1.0177 0.087 Uiso 1 1 calc R . .
C7 C 0.1381(4) -0.1891(4) 0.8211(5) 0.0513(17) Uani 1 1 d . . .
H7A H 0.1875 -0.1930 0.8240 0.077 Uiso 1 1 calc R . .
H7B H 0.0992 -0.1711 0.7536 0.077 Uiso 1 1 calc R . .
H7C H 0.1234 -0.2390 0.8337 0.077 Uiso 1 1 calc R . .
C8 C 0.0677(4) -0.1274(4) 0.8979(6) 0.061(2) Uani 1 1 d . . .
H8A H 0.0724 -0.0918 0.9501 0.091 Uiso 1 1 calc R . .
H8B H 0.0529 -0.1773 0.9104 0.091 Uiso 1 1 calc R . .
H8C H 0.0287 -0.1092 0.8306 0.091 Uiso 1 1 calc R . .
C9 C 0.0957(3) 0.1315(3) 0.9466(4) 0.0329(13) Uani 1 1 d . . .
C10 C 0.1741(3) 0.1664(4) 0.9858(4) 0.0439(16) Uani 1 1 d . . .
H10A H 0.2066 0.1311 0.9749 0.066 Uiso 1 1 calc R . .
H10B H 0.1974 0.1771 1.0587 0.066 Uiso 1 1 calc R . .
H10C H 0.1690 0.2137 0.9492 0.066 Uiso 1 1 calc R . .
C11 C 0.1038(4) 0.0590(3) 1.0075(4) 0.0461(16) Uani 1 1 d . . .
H11A H 0.0533 0.0363 0.9827 0.069 Uiso 1 1 calc R . .
H11B H 0.1265 0.0717 1.0797 0.069 Uiso 1 1 calc R . .
H11C H 0.1369 0.0229 0.9987 0.069 Uiso 1 1 calc R . .
C12 C 0.0443(3) 0.1861(3) 0.9635(4) 0.0408(15) Uani 1 1 d . . .
H12A H -0.0064 0.1633 0.9373 0.061 Uiso 1 1 calc R . .
H12B H 0.0394 0.2337 0.9276 0.061 Uiso 1 1 calc R . .
H12C H 0.0670 0.1961 1.0365 0.061 Uiso 1 1 calc R . .
C13 C 0.3179(3) -0.0753(3) 0.9513(4) 0.0381(14) Uani 1 1 d . . .
C14 C 0.3716(4) -0.0641(5) 1.0536(5) 0.067(2) Uani 1 1 d . . .
H14 H 0.3611 -0.0290 1.0923 0.081 Uiso 1 1 calc R . .
C15 C 0.4403(5) -0.1033(6) 1.0999(6) 0.089(3) Uani 1 1 d . . .
H15 H 0.4769 -0.0943 1.1694 0.107 Uiso 1 1 calc R . .
C16 C 0.4550(5) -0.1550(5) 1.0448(8) 0.078(2) Uani 1 1 d . . .
H16 H 0.5013 -0.1830 1.0772 0.094 Uiso 1 1 calc R . .
C17 C 0.4055(4) -0.1665(4) 0.9467(6) 0.0598(19) Uani 1 1 d . . .
H17 H 0.4172 -0.2017 0.9092 0.072 Uiso 1 1 calc R . .
C18 C 0.3375(4) -0.1274(4) 0.8995(5) 0.0464(16) Uani 1 1 d . . .
H18 H 0.3028 -0.1362 0.8293 0.056 Uiso 1 1 calc R . .
C19 C 0.0000 0.2442(4) 0.7500 0.0344(19) Uani 1 2 d S . .
C20 C 0.0642(4) 0.2852(3) 0.7697(5) 0.0444(16) Uani 1 1 d . . .
H20 H 0.1092 0.2586 0.7836 0.053 Uiso 1 1 calc R . .
C21 C 0.0654(5) 0.3639(4) 0.7700(5) 0.066(2) Uani 1 1 d . . .
H21 H 0.1103 0.3907 0.7838 0.079 Uiso 1 1 calc R . .
C22 C 0.0000 0.4022(6) 0.7500 0.076(3) Uani 1 2 d S . .
H22 H 0.0000 0.4560 0.7500 0.091 Uiso 1 2 calc SR . .
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'
Bi Bi -4.1077 10.2566 '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
N1 Bi1 N2 64.73(16) . . ?
N1 Bi1 N3 106.11(16) . . ?
N2 Bi1 N3 108.03(16) . . ?
N1 Bi1 B1 32.69(18) . . ?
N2 Bi1 B1 33.04(18) . . ?
N3 Bi1 B1 116.39(17) . . ?
B1 N1 C1 130.7(5) . . ?
B1 N1 Bi1 93.0(3) . . ?
C1 N1 Bi1 130.6(4) . . ?
B1 N2 C5 131.1(5) . . ?
B1 N2 Bi1 91.4(3) . . ?
C5 N2 Bi1 129.3(4) . . ?
B2 N3 C9 126.5(4) . . ?
B2 N3 Bi1 106.5(3) . . ?
C9 N3 Bi1 124.5(3) . . ?
N1 B1 N2 107.7(5) . . ?
N1 B1 C13 126.5(5) . . ?
N2 B1 C13 125.8(5) . . ?
N1 B1 Bi1 54.3(3) . . ?
N2 B1 Bi1 55.6(3) . . ?
C13 B1 Bi1 166.6(4) . . ?
N3 B2 N3 114.8(7) 2_556 . ?
N3 B2 C19 122.6(3) 2_556 . ?
N3 B2 C19 122.6(3) . . ?
N1 C1 C4 108.0(5) . . ?
N1 C1 C3 111.7(5) . . ?
C4 C1 C3 108.7(5) . . ?
N1 C1 C2 109.8(5) . . ?
C4 C1 C2 108.4(6) . . ?
C3 C1 C2 110.1(5) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 C7 112.1(5) . . ?
N2 C5 C6 109.4(5) . . ?
C7 C5 C6 109.3(5) . . ?
N2 C5 C8 108.9(5) . . ?
C7 C5 C8 109.8(5) . . ?
C6 C5 C8 107.3(5) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C9 C10 112.9(4) . . ?
N3 C9 C12 109.4(4) . . ?
C10 C9 C12 110.0(5) . . ?
N3 C9 C11 107.9(4) . . ?
C10 C9 C11 109.1(5) . . ?
C12 C9 C11 107.4(4) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 116.2(6) . . ?
C14 C13 B1 121.2(5) . . ?
C18 C13 B1 122.6(5) . . ?
C15 C14 C13 121.1(7) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C16 C15 C14 119.6(7) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C17 C16 C15 121.1(8) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C16 C17 C18 119.9(7) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 122.1(6) . . ?
C17 C18 H18 118.9 . . ?
C13 C18 H18 118.9 . . ?
C20 C19 C20 116.9(8) . 2_556 ?
C20 C19 B2 121.6(4) . . ?
C20 C19 B2 121.6(4) 2_556 . ?
C19 C20 C21 122.4(7) . . ?
C19 C20 H20 118.8 . . ?
C21 C20 H20 118.8 . . ?
C22 C21 C20 118.5(8) . . ?
C22 C21 H21 120.7 . . ?
C20 C21 H21 120.7 . . ?
C21 C22 C21 121.2(10) 2_556 . ?
C21 C22 H22 119.4 2_556 . ?
C21 C22 H22 119.4 . . ?
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
Bi1 N1 2.162(5) . ?
Bi1 N2 2.195(4) . ?
Bi1 N3 2.213(4) . ?
Bi1 B1 2.660(7) . ?
N1 B1 1.439(8) . ?
N1 C1 1.475(7) . ?
N2 B1 1.450(8) . ?
N2 C5 1.462(7) . ?
N3 B2 1.457(6) . ?
N3 C9 1.512(7) . ?
B1 C13 1.579(9) . ?
B2 N3 1.457(6) 2_556 ?
B2 C19 1.580(11) . ?
C1 C4 1.528(8) . ?
C1 C3 1.532(7) . ?
C1 C2 1.534(9) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C7 1.524(8) . ?
C5 C6 1.528(8) . ?
C5 C8 1.534(8) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.518(8) . ?
C9 C12 1.532(7) . ?
C9 C11 1.538(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.392(9) . ?
C13 C18 1.393(7) . ?
C14 C15 1.386(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.369(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.328(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.376(9) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.382(7) . ?
C19 C20 1.382(7) 2_556 ?
C20 C21 1.391(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.376(9) . ?
C21 H21 0.9500 . ?
C22 C21 1.376(9) 2_556 ?
C22 H22 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Bi1 N1 B1 11.3(3) . . . . ?
N3 Bi1 N1 B1 114.0(3) . . . . ?
N2 Bi1 N1 C1 166.1(5) . . . . ?
N3 Bi1 N1 C1 -91.2(4) . . . . ?
B1 Bi1 N1 C1 154.9(6) . . . . ?
N1 Bi1 N2 B1 -11.2(3) . . . . ?
N3 Bi1 N2 B1 -110.9(3) . . . . ?
N1 Bi1 N2 C5 -161.5(5) . . . . ?
N3 Bi1 N2 C5 98.8(4) . . . . ?
B1 Bi1 N2 C5 -150.3(6) . . . . ?
N1 Bi1 N3 B2 125.0(3) . . . . ?
N2 Bi1 N3 B2 -166.9(3) . . . . ?
B1 Bi1 N3 B2 158.4(3) . . . . ?
N1 Bi1 N3 C9 -38.0(4) . . . . ?
N2 Bi1 N3 C9 30.1(4) . . . . ?
B1 Bi1 N3 C9 -4.6(4) . . . . ?
C1 N1 B1 N2 -171.2(5) . . . . ?
Bi1 N1 B1 N2 -16.3(4) . . . . ?
C1 N1 B1 C13 8.5(9) . . . . ?
Bi1 N1 B1 C13 163.4(5) . . . . ?
C1 N1 B1 Bi1 -154.9(6) . . . . ?
C5 N2 B1 N1 165.5(5) . . . . ?
Bi1 N2 B1 N1 16.1(4) . . . . ?
C5 N2 B1 C13 -14.2(9) . . . . ?
Bi1 N2 B1 C13 -163.6(5) . . . . ?
C5 N2 B1 Bi1 149.4(6) . . . . ?
N2 Bi1 B1 N1 -161.1(5) . . . . ?
N3 Bi1 B1 N1 -78.5(3) . . . . ?
N1 Bi1 B1 N2 161.1(5) . . . . ?
N3 Bi1 B1 N2 82.6(3) . . . . ?
N1 Bi1 B1 C13 -98.3(19) . . . . ?
N2 Bi1 B1 C13 100.6(19) . . . . ?
N3 Bi1 B1 C13 -176.8(18) . . . . ?
C9 N3 B2 N3 -146.9(5) . . . 2_556 ?
Bi1 N3 B2 N3 50.6(3) . . . 2_556 ?
C9 N3 B2 C19 33.1(5) . . . . ?
Bi1 N3 B2 C19 -129.42(14) . . . . ?
B1 N1 C1 C4 175.9(6) . . . . ?
Bi1 N1 C1 C4 29.9(7) . . . . ?
B1 N1 C1 C3 56.5(8) . . . . ?
Bi1 N1 C1 C3 -89.5(6) . . . . ?
B1 N1 C1 C2 -66.0(8) . . . . ?
Bi1 N1 C1 C2 148.0(4) . . . . ?
B1 N2 C5 C7 -67.3(8) . . . . ?
Bi1 N2 C5 C7 71.6(6) . . . . ?
B1 N2 C5 C6 54.1(7) . . . . ?
Bi1 N2 C5 C6 -167.0(4) . . . . ?
B1 N2 C5 C8 171.0(6) . . . . ?
Bi1 N2 C5 C8 -50.0(6) . . . . ?
B2 N3 C9 C10 -98.0(5) . . . . ?
Bi1 N3 C9 C10 61.6(6) . . . . ?
B2 N3 C9 C12 24.9(6) . . . . ?
Bi1 N3 C9 C12 -175.6(3) . . . . ?
B2 N3 C9 C11 141.4(5) . . . . ?
Bi1 N3 C9 C11 -59.1(5) . . . . ?
N1 B1 C13 C14 87.1(8) . . . . ?
N2 B1 C13 C14 -93.3(8) . . . . ?
Bi1 B1 C13 C14 175.6(16) . . . . ?
N1 B1 C13 C18 -93.2(8) . . . . ?
N2 B1 C13 C18 86.5(7) . . . . ?
Bi1 B1 C13 C18 -5(2) . . . . ?
C18 C13 C14 C15 -0.2(11) . . . . ?
B1 C13 C14 C15 179.6(7) . . . . ?
C13 C14 C15 C16 -1.3(13) . . . . ?
C14 C15 C16 C17 2.2(14) . . . . ?
C15 C16 C17 C18 -1.5(12) . . . . ?
C16 C17 C18 C13 -0.1(11) . . . . ?
C14 C13 C18 C17 0.9(10) . . . . ?
B1 C13 C18 C17 -178.8(6) . . . . ?
N3 B2 C19 C20 -126.9(3) 2_556 . . . ?
N3 B2 C19 C20 53.1(3) . . . . ?
N3 B2 C19 C20 53.1(3) 2_556 . . 2_556 ?
N3 B2 C19 C20 -126.9(3) . . . 2_556 ?
C20 C19 C20 C21 0.0(4) 2_556 . . . ?
B2 C19 C20 C21 180.0(4) . . . . ?
C19 C20 C21 C22 0.1(9) . . . . ?
C20 C21 C22 C21 0.0(4) . . . 2_556 ?
