#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:32:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179115 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/77/4307790.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_4307790
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         'C14 H23 B Cl N2 Sb'
_chemical_formula_sum            'C14 H23 B Cl N2 Sb'
_chemical_formula_weight         387.35
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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-97
_cell_angle_alpha                91.53(3)
_cell_angle_beta                 102.55(3)
_cell_angle_gamma                90.16(3)
_cell_formula_units_Z            4
_cell_length_a                   9.1398(18)
_cell_length_b                   11.328(2)
_cell_length_c                   17.090(3)
_cell_measurement_reflns_used    8757
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.96
_cell_volume                     1726.5(6)
_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 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8757
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.96
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.742
_exptl_absorpt_correction_T_max  0.7662
_exptl_absorpt_correction_T_min  0.6894
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (SHELXTL-NT v5.1, Bruker)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.32
_refine_diff_density_max         1.738
_refine_diff_density_min         -0.903
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6018
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0333
_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)+(0.0347P)²+2.7830P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0862
_reflns_number_gt                5429
_reflns_number_total             6018
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0622757si20070112_014747_2.cif
_cod_data_source_block           compound_1b
_cod_original_cell_volume        1726.4(6)
_cod_database_code               4307790
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_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
Sb1 Sb 0.04436(3) 0.406304(19) 0.134911(14) 0.02529(9) Uani 1 1 d . . .
Sb2 Sb 0.06154(3) -0.092784(19) 0.130650(13) 0.02499(9) Uani 1 1 d . . .
Cl1 Cl -0.04059(12) 0.60936(8) 0.12817(7) 0.0419(2) Uani 1 1 d . . .
Cl2 Cl 0.14711(13) 0.10991(9) 0.12772(7) 0.0431(3) Uani 1 1 d . . .
N1 N 0.1034(3) 0.3877(3) 0.25550(17) 0.0247(6) Uani 1 1 d . . .
N2 N 0.2672(3) 0.4335(3) 0.17589(18) 0.0285(7) Uani 1 1 d . . .
N3 N 0.1046(3) -0.1164(3) 0.25032(17) 0.0233(6) Uani 1 1 d . . .
N4 N -0.1234(3) -0.0644(3) 0.17554(18) 0.0282(7) Uani 1 1 d . . .
B1 B 0.2606(4) 0.3909(3) 0.2539(2) 0.0215(8) Uani 1 1 d . . .
B2 B -0.0517(4) -0.1104(3) 0.2520(2) 0.0227(8) Uani 1 1 d . . .
C1 C 0.0151(4) 0.3489(3) 0.3124(2) 0.0285(8) Uani 1 1 d . . .
C2 C -0.1500(5) 0.3676(4) 0.2747(3) 0.0458(11) Uani 1 1 d . . .
H2A H -0.1784 0.3188 0.2254 0.069 Uiso 1 1 calc R . .
H2B H -0.1665 0.4510 0.2619 0.069 Uiso 1 1 calc R . .
H2C H -0.2112 0.3450 0.3124 0.069 Uiso 1 1 calc R . .
C3 C 0.0588(5) 0.4256(4) 0.3889(3) 0.0427(10) Uani 1 1 d . . .
H3A H 0.1646 0.4133 0.4136 0.064 Uiso 1 1 calc R . .
H3B H -0.0033 0.4038 0.4264 0.064 Uiso 1 1 calc R . .
H3C H 0.0430 0.5089 0.3757 0.064 Uiso 1 1 calc R . .
C4 C 0.0451(5) 0.2193(3) 0.3325(3) 0.0415(10) Uani 1 1 d . . .
H4A H 0.1514 0.2095 0.3572 0.062 Uiso 1 1 calc R . .
H4B H 0.0190 0.1703 0.2832 0.062 Uiso 1 1 calc R . .
H4C H -0.0160 0.1951 0.3699 0.062 Uiso 1 1 calc R . .
C5 C 0.3869(4) 0.4527(3) 0.1324(2) 0.0303(8) Uani 1 1 d . . .
C6 C 0.3207(6) 0.5190(6) 0.0571(3) 0.0729(19) Uani 1 1 d . . .
H6A H 0.2768 0.5930 0.0718 0.109 Uiso 1 1 calc R . .
H6B H 0.2427 0.4703 0.0224 0.109 Uiso 1 1 calc R . .
H6C H 0.3998 0.5366 0.0284 0.109 Uiso 1 1 calc R . .
C7 C 0.5106(5) 0.5281(4) 0.1847(3) 0.0453(11) Uani 1 1 d . . .
H7A H 0.4690 0.6037 0.1982 0.068 Uiso 1 1 calc R . .
H7B H 0.5897 0.5424 0.1554 0.068 Uiso 1 1 calc R . .
H7C H 0.5526 0.4867 0.2340 0.068 Uiso 1 1 calc R . .
C8 C 0.4546(6) 0.3354(4) 0.1126(3) 0.0591(14) Uani 1 1 d . . .
H8A H 0.3763 0.2855 0.0792 0.089 Uiso 1 1 calc R . .
H8B H 0.4971 0.2952 0.1624 0.089 Uiso 1 1 calc R . .
H8C H 0.5338 0.3503 0.0835 0.089 Uiso 1 1 calc R . .
C9 C 0.2415(4) -0.1559(3) 0.3055(2) 0.0273(8) Uani 1 1 d . . .
C10 C 0.2248(5) -0.2837(3) 0.3291(3) 0.0412(10) Uani 1 1 d . . .
H10A H 0.2065 -0.3352 0.2809 0.062 Uiso 1 1 calc R . .
H10B H 0.1403 -0.2899 0.3556 0.062 Uiso 1 1 calc R . .
H10C H 0.3170 -0.3079 0.3659 0.062 Uiso 1 1 calc R . .
C11 C 0.2690(5) -0.0753(4) 0.3801(3) 0.0419(10) Uani 1 1 d . . .
H11A H 0.2791 0.0065 0.3647 0.063 Uiso 1 1 calc R . .
H11B H 0.3613 -0.0989 0.4171 0.063 Uiso 1 1 calc R . .
H11C H 0.1844 -0.0817 0.4065 0.063 Uiso 1 1 calc R . .
C12 C 0.3727(5) -0.1444(5) 0.2642(3) 0.0529(12) Uani 1 1 d . . .
H12A H 0.3820 -0.0622 0.2492 0.079 Uiso 1 1 calc R . .
H12B H 0.3551 -0.1957 0.2159 0.079 Uiso 1 1 calc R . .
H12C H 0.4654 -0.1678 0.3009 0.079 Uiso 1 1 calc R . .
C13 C -0.2792(4) -0.0424(3) 0.1347(2) 0.0308(8) Uani 1 1 d . . .
C14 C -0.3530(5) 0.0325(4) 0.1901(3) 0.0460(11) Uani 1 1 d . . .
H14A H -0.3560 -0.0114 0.2383 0.069 Uiso 1 1 calc R . .
H14B H -0.4554 0.0515 0.1623 0.069 Uiso 1 1 calc R . .
H14C H -0.2952 0.1057 0.2052 0.069 Uiso 1 1 calc R . .
C15 C -0.2761(6) 0.0257(6) 0.0594(3) 0.0679(17) Uani 1 1 d . . .
H15A H -0.2291 -0.0226 0.0234 0.102 Uiso 1 1 calc R . .
H15B H -0.2183 0.0990 0.0742 0.102 Uiso 1 1 calc R . .
H15C H -0.3787 0.0446 0.0321 0.102 Uiso 1 1 calc R . .
C16 C -0.3667(5) -0.1589(4) 0.1139(3) 0.0491(12) Uani 1 1 d . . .
H16A H -0.3665 -0.2012 0.1632 0.074 Uiso 1 1 calc R . .
H16B H -0.3192 -0.2077 0.0783 0.074 Uiso 1 1 calc R . .
H16C H -0.4702 -0.1422 0.0868 0.074 Uiso 1 1 calc R . .
C17 C 0.3961(4) 0.3487(3) 0.3215(2) 0.0237(7) Uani 1 1 d . . .
C18 C 0.4748(4) 0.4240(3) 0.3824(2) 0.0300(8) Uani 1 1 d . . .
H18 H 0.4449 0.5041 0.3845 0.036 Uiso 1 1 calc R . .
C19 C 0.5948(5) 0.3856(4) 0.4396(2) 0.0366(9) Uani 1 1 d . . .
H19 H 0.6470 0.4390 0.4799 0.044 Uiso 1 1 calc R . .
C20 C 0.6388(5) 0.2685(4) 0.4378(2) 0.0378(9) Uani 1 1 d . . .
H20 H 0.7208 0.2414 0.4772 0.045 Uiso 1 1 calc R . .
C21 C 0.5634(5) 0.1922(4) 0.3789(3) 0.0387(9) Uani 1 1 d . . .
H21 H 0.5929 0.1120 0.3777 0.046 Uiso 1 1 calc R . .
C22 C 0.4442(4) 0.2320(3) 0.3214(2) 0.0332(8) Uani 1 1 d . . .
H22 H 0.3937 0.1783 0.2807 0.040 Uiso 1 1 calc R . .
C23 C -0.1302(4) -0.1525(3) 0.3207(2) 0.0243(7) Uani 1 1 d . . .
C24 C -0.1506(5) -0.0808(4) 0.3842(2) 0.0400(10) Uani 1 1 d . . .
H24 H -0.1148 -0.0016 0.3881 0.048 Uiso 1 1 calc R . .
C25 C -0.2214(5) -0.1210(4) 0.4420(3) 0.0461(11) Uani 1 1 d . . .
H25 H -0.2335 -0.0693 0.4848 0.055 Uiso 1 1 calc R . .
C26 C -0.2745(5) -0.2347(4) 0.4383(2) 0.0404(10) Uani 1 1 d . . .
H26 H -0.3237 -0.2620 0.4781 0.048 Uiso 1 1 calc R . .
C27 C -0.2555(5) -0.3094(4) 0.3759(3) 0.0386(9) Uani 1 1 d . . .
H27 H -0.2909 -0.3887 0.3728 0.046 Uiso 1 1 calc R . .
C28 C -0.1846(4) -0.2680(3) 0.3180(2) 0.0330(8) Uani 1 1 d . . .
H28 H -0.1728 -0.3198 0.2752 0.040 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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
N2 Sb1 N1 69.03(12) . . ?
N2 Sb1 Cl1 99.83(9) . . ?
N1 Sb1 Cl1 100.64(9) . . ?
N2 Sb1 B1 34.94(12) . . ?
N1 Sb1 B1 34.94(12) . . ?
Cl1 Sb1 B1 108.27(9) . . ?
N3 Sb2 N4 68.68(12) . . ?
N3 Sb2 Cl2 100.33(9) . . ?
N4 Sb2 Cl2 99.46(10) . . ?
N3 Sb2 B2 34.70(12) . . ?
N4 Sb2 B2 34.78(12) . . ?
Cl2 Sb2 B2 107.62(9) . . ?
B1 N1 C1 135.5(3) . . ?
B1 N1 Sb1 91.3(2) . . ?
C1 N1 Sb1 130.6(2) . . ?
B1 N2 C5 135.2(3) . . ?
B1 N2 Sb1 91.6(2) . . ?
C5 N2 Sb1 130.7(2) . . ?
B2 N3 C9 135.5(3) . . ?
B2 N3 Sb2 92.1(2) . . ?
C9 N3 Sb2 130.6(2) . . ?
B2 N4 C13 134.8(3) . . ?
B2 N4 Sb2 91.9(2) . . ?
C13 N4 Sb2 130.6(2) . . ?
N1 B1 N2 105.5(3) . . ?
N1 B1 C17 127.1(3) . . ?
N2 B1 C17 127.3(3) . . ?
N1 B1 Sb1 53.71(17) . . ?
N2 B1 Sb1 53.46(17) . . ?
C17 B1 Sb1 166.1(2) . . ?
N3 B2 N4 105.0(3) . . ?
N3 B2 C23 127.7(3) . . ?
N4 B2 C23 127.2(3) . . ?
N3 B2 Sb2 53.21(17) . . ?
N4 B2 Sb2 53.33(17) . . ?
C23 B2 Sb2 166.5(2) . . ?
N1 C1 C2 108.0(3) . . ?
N1 C1 C3 108.4(3) . . ?
C2 C1 C3 109.2(3) . . ?
N1 C1 C4 110.9(3) . . ?
C2 C1 C4 110.8(3) . . ?
C3 C1 C4 109.5(3) . . ?
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 C6 107.9(3) . . ?
N2 C5 C7 109.3(3) . . ?
C6 C5 C7 108.9(4) . . ?
N2 C5 C8 110.9(3) . . ?
C6 C5 C8 111.5(4) . . ?
C7 C5 C8 108.3(4) . . ?
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 C11 108.2(3) . . ?
N3 C9 C12 108.5(3) . . ?
C11 C9 C12 109.2(4) . . ?
N3 C9 C10 110.9(3) . . ?
C11 C9 C10 109.7(3) . . ?
C12 C9 C10 110.3(3) . . ?
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 . . ?
N4 C13 C14 108.8(3) . . ?
N4 C13 C15 107.7(3) . . ?
C14 C13 C15 109.3(4) . . ?
N4 C13 C16 110.8(3) . . ?
C14 C13 C16 109.2(3) . . ?
C15 C13 C16 111.1(4) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 C18 116.7(3) . . ?
C22 C17 B1 120.1(3) . . ?
C18 C17 B1 123.2(3) . . ?
C19 C18 C17 122.0(4) . . ?
C19 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?
C18 C19 C20 119.7(4) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C21 C20 C19 119.7(4) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C20 C21 C22 120.1(4) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C17 121.8(4) . . ?
C21 C22 H22 119.1 . . ?
C17 C22 H22 119.1 . . ?
C24 C23 C28 116.6(3) . . ?
C24 C23 B2 124.0(3) . . ?
C28 C23 B2 119.4(3) . . ?
C25 C24 C23 121.9(4) . . ?
C25 C24 H24 119.0 . . ?
C23 C24 H24 119.0 . . ?
C26 C25 C24 120.7(4) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C25 C26 C27 119.2(4) . . ?
C25 C26 H26 120.4 . . ?
C27 C26 H26 120.4 . . ?
C26 C27 C28 119.7(4) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
C27 C28 C23 121.9(4) . . ?
C27 C28 H28 119.0 . . ?
C23 C28 H28 119.0 . . ?
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
Sb1 N2 2.024(3) . ?
Sb1 N1 2.031(3) . ?
Sb1 Cl1 2.4274(11) . ?
Sb1 B1 2.519(4) . ?
Sb2 N3 2.022(3) . ?
Sb2 N4 2.025(3) . ?
Sb2 Cl2 2.4288(11) . ?
Sb2 B2 2.524(4) . ?
N1 B1 1.443(5) . ?
N1 C1 1.467(4) . ?
N2 B1 1.443(5) . ?
N2 C5 1.469(5) . ?
N3 B2 1.437(5) . ?
N3 C9 1.472(5) . ?
N4 B2 1.440(5) . ?
N4 C13 1.469(5) . ?
B1 C17 1.584(5) . ?
B2 C23 1.585(5) . ?
C1 C2 1.524(6) . ?
C1 C3 1.528(6) . ?
C1 C4 1.528(5) . ?
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 C6 1.518(6) . ?
C5 C7 1.523(6) . ?
C5 C8 1.528(6) . ?
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 C11 1.522(5) . ?
C9 C12 1.525(6) . ?
C9 C10 1.529(5) . ?
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 1.518(6) . ?
C13 C15 1.524(6) . ?
C13 C16 1.534(6) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C22 1.394(5) . ?
C17 C18 1.397(5) . ?
C18 C19 1.381(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.388(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.373(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.385(6) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.383(5) . ?
C23 C28 1.394(5) . ?
C24 C25 1.379(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.370(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.383(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.386(5) . ?
C27 H27 0.9500 . ?
C28 H28 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 Sb1 N1 B1 -10.20(19) . . . . ?
Cl1 Sb1 N1 B1 -106.74(19) . . . . ?
N2 Sb1 N1 C1 -173.8(3) . . . . ?
Cl1 Sb1 N1 C1 89.6(3) . . . . ?
B1 Sb1 N1 C1 -163.6(4) . . . . ?
N1 Sb1 N2 B1 10.20(19) . . . . ?
Cl1 Sb1 N2 B1 107.92(19) . . . . ?
N1 Sb1 N2 C5 173.9(3) . . . . ?
Cl1 Sb1 N2 C5 -88.4(3) . . . . ?
B1 Sb1 N2 C5 163.7(4) . . . . ?
N4 Sb2 N3 B2 9.88(19) . . . . ?
Cl2 Sb2 N3 B2 106.09(19) . . . . ?
N4 Sb2 N3 C9 176.2(3) . . . . ?
Cl2 Sb2 N3 C9 -87.6(3) . . . . ?
B2 Sb2 N3 C9 166.3(4) . . . . ?
N3 Sb2 N4 B2 -9.86(19) . . . . ?
Cl2 Sb2 N4 B2 -107.3(2) . . . . ?
N3 Sb2 N4 C13 -173.2(3) . . . . ?
Cl2 Sb2 N4 C13 89.3(3) . . . . ?
B2 Sb2 N4 C13 -163.3(4) . . . . ?
C1 N1 B1 N2 176.2(4) . . . . ?
Sb1 N1 B1 N2 13.9(3) . . . . ?
C1 N1 B1 C17 -0.4(6) . . . . ?
Sb1 N1 B1 C17 -162.6(3) . . . . ?
C1 N1 B1 Sb1 162.2(4) . . . . ?
C5 N2 B1 N1 -176.4(4) . . . . ?
Sb1 N2 B1 N1 -14.0(3) . . . . ?
C5 N2 B1 C17 0.2(6) . . . . ?
Sb1 N2 B1 C17 162.6(3) . . . . ?
C5 N2 B1 Sb1 -162.4(5) . . . . ?
N2 Sb1 B1 N1 163.2(3) . . . . ?
Cl1 Sb1 B1 N1 82.4(2) . . . . ?
N1 Sb1 B1 N2 -163.2(3) . . . . ?
Cl1 Sb1 B1 N2 -80.9(2) . . . . ?
N2 Sb1 B1 C17 -98.4(11) . . . . ?
N1 Sb1 B1 C17 98.4(11) . . . . ?
Cl1 Sb1 B1 C17 -179.2(10) . . . . ?
C9 N3 B2 N4 -178.6(3) . . . . ?
Sb2 N3 B2 N4 -13.5(3) . . . . ?
C9 N3 B2 C23 -2.1(6) . . . . ?
Sb2 N3 B2 C23 163.1(3) . . . . ?
C9 N3 B2 Sb2 -165.1(4) . . . . ?
C13 N4 B2 N3 175.6(4) . . . . ?
Sb2 N4 B2 N3 13.4(3) . . . . ?
C13 N4 B2 C23 -1.0(6) . . . . ?
Sb2 N4 B2 C23 -163.1(3) . . . . ?
C13 N4 B2 Sb2 162.1(5) . . . . ?
N4 Sb2 B2 N3 -163.7(3) . . . . ?
Cl2 Sb2 B2 N3 -82.6(2) . . . . ?
N3 Sb2 B2 N4 163.7(3) . . . . ?
Cl2 Sb2 B2 N4 81.1(2) . . . . ?
N3 Sb2 B2 C23 -98.8(12) . . . . ?
N4 Sb2 B2 C23 97.5(12) . . . . ?
Cl2 Sb2 B2 C23 178.6(11) . . . . ?
B1 N1 C1 C2 -178.3(4) . . . . ?
Sb1 N1 C1 C2 -22.0(4) . . . . ?
B1 N1 C1 C3 63.5(5) . . . . ?
Sb1 N1 C1 C3 -140.2(3) . . . . ?
B1 N1 C1 C4 -56.7(5) . . . . ?
Sb1 N1 C1 C4 99.6(4) . . . . ?
B1 N2 C5 C6 -170.7(4) . . . . ?
Sb1 N2 C5 C6 32.8(5) . . . . ?
B1 N2 C5 C7 -52.4(5) . . . . ?
Sb1 N2 C5 C7 151.0(3) . . . . ?
B1 N2 C5 C8 66.9(5) . . . . ?
Sb1 N2 C5 C8 -89.6(4) . . . . ?
B2 N3 C9 C11 -64.7(5) . . . . ?
Sb2 N3 C9 C11 135.1(3) . . . . ?
B2 N3 C9 C12 177.0(4) . . . . ?
Sb2 N3 C9 C12 16.7(5) . . . . ?
B2 N3 C9 C10 55.7(5) . . . . ?
Sb2 N3 C9 C10 -104.5(3) . . . . ?
B2 N4 C13 C14 52.9(5) . . . . ?
Sb2 N4 C13 C14 -151.0(3) . . . . ?
B2 N4 C13 C15 171.2(4) . . . . ?
Sb2 N4 C13 C15 -32.6(5) . . . . ?
B2 N4 C13 C16 -67.1(5) . . . . ?
Sb2 N4 C13 C16 89.0(4) . . . . ?
N1 B1 C17 C22 89.3(5) . . . . ?
N2 B1 C17 C22 -86.6(5) . . . . ?
Sb1 B1 C17 C22 1.3(13) . . . . ?
N1 B1 C17 C18 -91.9(5) . . . . ?
N2 B1 C17 C18 92.2(5) . . . . ?
Sb1 B1 C17 C18 -179.9(9) . . . . ?
C22 C17 C18 C19 0.3(6) . . . . ?
B1 C17 C18 C19 -178.5(3) . . . . ?
C17 C18 C19 C20 -0.7(6) . . . . ?
C18 C19 C20 C21 0.5(6) . . . . ?
C19 C20 C21 C22 0.2(6) . . . . ?
C20 C21 C22 C17 -0.7(6) . . . . ?
C18 C17 C22 C21 0.4(6) . . . . ?
B1 C17 C22 C21 179.3(4) . . . . ?
N3 B2 C23 C24 90.6(5) . . . . ?
N4 B2 C23 C24 -93.6(5) . . . . ?
Sb2 B2 C23 C24 179.1(10) . . . . ?
N3 B2 C23 C28 -90.2(5) . . . . ?
N4 B2 C23 C28 85.6(5) . . . . ?
Sb2 B2 C23 C28 -1.7(13) . . . . ?
C28 C23 C24 C25 -0.1(6) . . . . ?
B2 C23 C24 C25 179.1(4) . . . . ?
C23 C24 C25 C26 0.0(7) . . . . ?
C24 C25 C26 C27 0.4(7) . . . . ?
C25 C26 C27 C28 -0.6(6) . . . . ?
C26 C27 C28 C23 0.4(6) . . . . ?
C24 C23 C28 C27 -0.1(6) . . . . ?
B2 C23 C28 C27 -179.4(4) . . . . ?
