#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:07:32 +0300 (Wed, 05 May 2021) $
#$Revision: 264878 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/80/7128021.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_7128021
loop_
_publ_author_name
'Schneider, Selina'
'Ivlev, Sergei'
'von Hänisch, Carsten'
_publ_section_title
;
 Stibine as a reagent in molecular chemistry - targeted synthesis of
 primary and secondary stibanyl-gallanes and their lighter homologues.
;
_journal_issue                   31
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3781
_journal_page_last               3784
_journal_paper_doi               10.1039/d0cc08419k
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C29 H44 Ga N2 Sb'
_chemical_formula_sum            'C29 H44 Ga N2 Sb'
_chemical_formula_weight         612.13
_chemical_properties_physical    Air-sensitive,Moisture-sensitive,Heat-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2020-12-09
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-12-30 deposited with the CCDC.	2021-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.326(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.1395(9)
_cell_length_b                   10.0131(5)
_cell_length_c                   18.1242(9)
_cell_measurement_reflns_used    9821
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.68
_cell_measurement_theta_min      2.38
_cell_volume                     2999.9(3)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker D8 Quest'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0168
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            96904
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.731
_diffrn_reflns_theta_min         2.330
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.816
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0668 before and 0.0480 after correction. The Ratio of minimum to maximum transmission is 0.8890. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_description       block
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.426
_exptl_crystal_size_mid          0.407
_exptl_crystal_size_min          0.346
_refine_diff_density_max         0.480
_refine_diff_density_min         -0.393
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         8511
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0223P)²+1.9871P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0516
_refine_ls_wR_factor_ref         0.0540
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7494
_reflns_number_total             8511
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc08419k2.cif
_cod_data_source_block           ssp234_0m
_cod_depositor_comments
'Adding full bibliography for 7128021--7128025.cif.'
_cod_database_code               7128021
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.572
_shelx_estimated_absorpt_t_min   0.512
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Ga1-H
 1.55 with sigma of 0.02
 Sb1'-H1A = Sb1'-H1B
 1.7 with sigma of 0.02
 Sb1'-H1B
 1.75 with sigma of 0.02
 Sb1-H1A = Sb1-H1B
 1.7 with sigma of 0.02
 Sb1-H1B
 1.6 with sigma of 0.02
 Sb1-H1A
 1.8 with sigma of 0.02
3. Others
 Fixed Sof: Sb1(0.5) Sb1'(0.5)
4.a Ternary CH refined with riding coordinates:
 C27(H27), C12(H12), C24(H24), C15(H15)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C20(H20), C22(H22), C21(H21), C8(H8), C10(H10), C9(H9)
4.c Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C29(H29A,H29B,H29C), C4(H4A,H4B,H4C), C13(H13A,H13B,H13C),
 C14(H14A,H14B,H14C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C26(H26A,H26B,
 H26C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.79132(12) 0.24713(19) 0.81368(7) 0.02148(19) Uani 0.5 1 d D . P A 2
Ga1 Ga 0.71656(2) 0.47687(2) 0.78404(2) 0.01332(4) Uani 1 1 d D . . . .
N2 N 0.78713(7) 0.61900(11) 0.76356(7) 0.0134(2) Uani 1 1 d . . . . .
N1 N 0.64312(7) 0.48147(11) 0.68107(7) 0.0139(2) Uani 1 1 d . . . . .
C3 C 0.75701(8) 0.71537(14) 0.71448(8) 0.0150(3) Uani 1 1 d . . . . .
C1 C 0.62964(8) 0.59709(14) 0.64338(8) 0.0146(2) Uani 1 1 d . . . . .
C2 C 0.67983(8) 0.70903(14) 0.66289(8) 0.0161(3) Uani 1 1 d . . . . .
H2 H 0.659260 0.790354 0.638340 0.019 Uiso 1 1 calc R . . . .
C18 C 0.86915(8) 0.61976(13) 0.81063(8) 0.0152(3) Uani 1 1 d . . . . .
C19 C 0.88407(9) 0.66306(14) 0.88679(8) 0.0186(3) Uani 1 1 d . . . . .
C23 C 0.93087(8) 0.56685(14) 0.78143(9) 0.0181(3) Uani 1 1 d . . . . .
C5 C 0.80619(9) 0.83912(15) 0.71154(9) 0.0233(3) Uani 1 1 d . . . . .
H5A H 0.859594 0.830220 0.747847 0.035 Uiso 1 1 calc GR . . . .
H5B H 0.778407 0.917178 0.725136 0.035 Uiso 1 1 calc GR . . . .
H5C H 0.812535 0.850402 0.659729 0.035 Uiso 1 1 calc GR . . . .
C27 C 0.91769(9) 0.53171(16) 0.69715(9) 0.0223(3) Uani 1 1 d . . . . .
H27 H 0.859552 0.548571 0.670533 0.027 Uiso 1 1 calc R . . . .
C6 C 0.59542(9) 0.36604(14) 0.64989(8) 0.0172(3) Uani 1 1 d . . . . .
C20 C 0.96170(9) 0.64499(16) 0.93486(9) 0.0243(3) Uani 1 1 d . . . . .
H20 H 0.973113 0.672724 0.986746 0.029 Uiso 1 1 calc R . . . .
C11 C 0.62442(10) 0.27948(15) 0.60214(9) 0.0211(3) Uani 1 1 d . . . . .
C12 C 0.49597(9) 0.42177(16) 0.72853(9) 0.0237(3) Uani 1 1 d . . . . .
H12 H 0.530255 0.503958 0.739258 0.028 Uiso 1 1 calc R . . . .
C22 C 1.00739(9) 0.55087(15) 0.83223(10) 0.0233(3) Uani 1 1 d . . . . .
H22 H 1.050033 0.514180 0.814189 0.028 Uiso 1 1 calc R . . . .
C7 C 0.52265(9) 0.34031(15) 0.66903(9) 0.0214(3) Uani 1 1 d . . . . .
C24 C 0.82006(10) 0.73363(16) 0.91636(9) 0.0250(3) Uani 1 1 d . . . . .
H24 H 0.768081 0.729528 0.875240 0.030 Uiso 1 1 calc R . . . .
C29 C 0.93613(12) 0.38586(18) 0.68453(11) 0.0343(4) Uani 1 1 d . . . . .
H29A H 0.993344 0.367661 0.708801 0.051 Uiso 1 1 calc GR . . . .
H29B H 0.924468 0.367944 0.629533 0.051 Uiso 1 1 calc GR . . . .
H29C H 0.902419 0.328184 0.707146 0.051 Uiso 1 1 calc GR . . . .
C4 C 0.55750(9) 0.61051(15) 0.57520(8) 0.0205(3) Uani 1 1 d . . . . .
H4A H 0.562486 0.547220 0.535450 0.031 Uiso 1 1 calc GR . . . .
H4B H 0.555039 0.701732 0.555119 0.031 Uiso 1 1 calc GR . . . .
H4C H 0.508001 0.591314 0.590634 0.031 Uiso 1 1 calc GR . . . .
C21 C 1.02212(9) 0.58738(17) 0.90808(9) 0.0258(3) Uani 1 1 d . . . . .
H21 H 1.074055 0.572834 0.942017 0.031 Uiso 1 1 calc R . . . .
C13 C 0.51143(10) 0.34070(18) 0.80274(10) 0.0286(3) Uani 1 1 d . . . . .
H13A H 0.480425 0.257348 0.793014 0.043 Uiso 1 1 calc GR . . . .
H13B H 0.494505 0.392800 0.841607 0.043 Uiso 1 1 calc GR . . . .
H13C H 0.569231 0.320110 0.821055 0.043 Uiso 1 1 calc GR . . . .
C8 C 0.47698(11) 0.23003(18) 0.63522(10) 0.0312(4) Uani 1 1 d . . . . .
H8 H 0.427225 0.211293 0.646884 0.037 Uiso 1 1 calc R . . . .
C15 C 0.70570(10) 0.30176(16) 0.58569(10) 0.0256(3) Uani 1 1 d . . . . .
H15 H 0.739666 0.355683 0.628776 0.031 Uiso 1 1 calc R . . . .
C14 C 0.40710(10) 0.4656(2) 0.70309(12) 0.0401(5) Uani 1 1 d . . . . .
H14A H 0.397190 0.513753 0.654413 0.060 Uiso 1 1 calc GR . . . .
H14B H 0.395251 0.524315 0.742016 0.060 Uiso 1 1 calc GR . . . .
H14C H 0.372085 0.386720 0.696582 0.060 Uiso 1 1 calc GR . . . .
C10 C 0.57633(11) 0.17099(16) 0.57013(9) 0.0289(4) Uani 1 1 d . . . . .
H10 H 0.594510 0.111757 0.537244 0.035 Uiso 1 1 calc R . . . .
C9 C 0.50264(12) 0.14818(17) 0.58546(10) 0.0339(4) Uani 1 1 d . . . . .
H9 H 0.469679 0.075817 0.561552 0.041 Uiso 1 1 calc R . . . .
C25 C 0.84209(14) 0.88095(19) 0.93154(11) 0.0420(5) Uani 1 1 d . . . . .
H25A H 0.892533 0.888174 0.972278 0.063 Uiso 1 1 calc GR . . . .
H25B H 0.798599 0.926774 0.947299 0.063 Uiso 1 1 calc GR . . . .
H25C H 0.849260 0.922300 0.884758 0.063 Uiso 1 1 calc GR . . . .
C28 C 0.96963(13) 0.6211(2) 0.66006(10) 0.0372(4) Uani 1 1 d . . . . .
H28A H 0.956188 0.715041 0.665767 0.056 Uiso 1 1 calc GR . . . .
H28B H 0.958811 0.599293 0.605581 0.056 Uiso 1 1 calc GR . . . .
H28C H 1.027007 0.606108 0.685188 0.056 Uiso 1 1 calc GR . . . .
C26 C 0.80594(12) 0.6667(2) 0.98763(10) 0.0359(4) Uani 1 1 d . . . . .
H26A H 0.790701 0.573165 0.976222 0.054 Uiso 1 1 calc GR . . . .
H26B H 0.762380 0.713231 1.002926 0.054 Uiso 1 1 calc GR . . . .
H26C H 0.855689 0.670991 1.029377 0.054 Uiso 1 1 calc GR . . . .
C16 C 0.75068(14) 0.1727(2) 0.58136(14) 0.0473(5) Uani 1 1 d . . . . .
H16A H 0.753840 0.119463 0.627451 0.071 Uiso 1 1 calc GR . . . .
H16B H 0.805439 0.193199 0.577719 0.071 Uiso 1 1 calc GR . . . .
H16C H 0.721796 0.121951 0.536132 0.071 Uiso 1 1 calc GR . . . .
C17 C 0.69696(15) 0.3814(3) 0.51234(15) 0.0600(7) Uani 1 1 d . . . . .
H17A H 0.660136 0.334530 0.469594 0.090 Uiso 1 1 calc GR . . . .
H17B H 0.750063 0.390859 0.502133 0.090 Uiso 1 1 calc GR . . . .
H17C H 0.675077 0.470060 0.518099 0.090 Uiso 1 1 calc GR . . . .
Sb1' Sb 0.79608(13) 0.2542(2) 0.81749(9) 0.0364(4) Uani 0.5 1 d D . P A 1
H H 0.6716(11) 0.529(2) 0.8409(10) 0.035(5) Uiso 1 1 d D . . . .
H1A H 0.7208(15) 0.187(3) 0.8557(17) 0.105(11) Uiso 1 1 d D . . . .
H1B H 0.8502(17) 0.312(3) 0.8987(11) 0.104(11) Uiso 1 1 d 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'
Ga Ga 0.2307 1.6083 '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'
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
Ga1 Sb1 H1A 92.1(12) . . ?
Ga1 Sb1 H1B 89.6(12) . . ?
H1A Sb1 H1B 92.9(16) . . ?
Sb1 Ga1 H 117.8(8) . . ?
N2 Ga1 Sb1 112.49(6) . . ?
N2 Ga1 Sb1' 110.74(6) . . ?
N2 Ga1 H 109.0(8) . . ?
N1 Ga1 Sb1 111.89(5) . . ?
N1 Ga1 N2 94.34(5) . . ?
N1 Ga1 Sb1' 114.08(5) . . ?
N1 Ga1 H 108.8(8) . . ?
Sb1' Ga1 H 117.4(8) . . ?
C3 N2 Ga1 120.36(9) . . ?
C3 N2 C18 122.82(11) . . ?
C18 N2 Ga1 116.45(8) . . ?
C1 N1 Ga1 119.34(9) . . ?
C1 N1 C6 119.46(11) . . ?
C6 N1 Ga1 120.67(9) . . ?
N2 C3 C2 123.13(13) . . ?
N2 C3 C5 120.09(12) . . ?
C2 C3 C5 116.78(12) . . ?
N1 C1 C2 123.64(12) . . ?
N1 C1 C4 119.45(12) . . ?
C2 C1 C4 116.90(12) . . ?
C3 C2 H2 116.1 . . ?
C1 C2 C3 127.72(13) . . ?
C1 C2 H2 116.1 . . ?
C19 C18 N2 118.69(12) . . ?
C19 C18 C23 121.79(13) . . ?
C23 C18 N2 119.29(12) . . ?
C18 C19 C24 122.03(13) . . ?
C20 C19 C18 117.98(14) . . ?
C20 C19 C24 119.93(14) . . ?
C18 C23 C27 122.49(12) . . ?
C22 C23 C18 117.60(14) . . ?
C22 C23 C27 119.87(13) . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C23 C27 H27 108.0 . . ?
C23 C27 C28 110.73(13) . . ?
C29 C27 C23 112.93(14) . . ?
C29 C27 H27 108.0 . . ?
C29 C27 C28 109.00(14) . . ?
C28 C27 H27 108.0 . . ?
C11 C6 N1 118.66(13) . . ?
C7 C6 N1 119.93(13) . . ?
C7 C6 C11 121.39(13) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 120.96(15) . . ?
C21 C20 H20 119.5 . . ?
C6 C11 C15 121.55(13) . . ?
C10 C11 C6 118.07(15) . . ?
C10 C11 C15 120.38(15) . . ?
C7 C12 H12 108.0 . . ?
C7 C12 C13 108.94(13) . . ?
C7 C12 C14 113.72(15) . . ?
C13 C12 H12 108.0 . . ?
C13 C12 C14 110.05(14) . . ?
C14 C12 H12 108.0 . . ?
C23 C22 H22 119.4 . . ?
C21 C22 C23 121.24(15) . . ?
C21 C22 H22 119.4 . . ?
C6 C7 C12 122.12(13) . . ?
C8 C7 C6 117.89(15) . . ?
C8 C7 C12 119.84(14) . . ?
C19 C24 H24 107.6 . . ?
C19 C24 C25 110.22(15) . . ?
C19 C24 C26 112.64(14) . . ?
C25 C24 H24 107.6 . . ?
C25 C24 C26 110.92(15) . . ?
C26 C24 H24 107.6 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.28(14) . . ?
C22 C21 H21 119.9 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C7 C8 H8 119.3 . . ?
C9 C8 C7 121.31(16) . . ?
C9 C8 H8 119.3 . . ?
C11 C15 H15 107.5 . . ?
C11 C15 C16 112.99(15) . . ?
C11 C15 C17 111.42(15) . . ?
C16 C15 H15 107.5 . . ?
C16 C15 C17 109.57(16) . . ?
C17 C15 H15 107.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C10 H10 119.5 . . ?
C9 C10 C11 121.10(16) . . ?
C9 C10 H10 119.5 . . ?
C8 C9 C10 120.09(15) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Ga1 Sb1' H1A 91.6(11) . . ?
Ga1 Sb1' H1B 92.6(12) . . ?
H1A Sb1' H1B 94.7(16) . . ?
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 Ga1 2.6189(19) . ?
Sb1 H1A 1.701(11) . ?
Sb1 H1B 1.729(10) . ?
Ga1 N2 1.9656(11) . ?
Ga1 N1 1.9565(12) . ?
Ga1 Sb1' 2.600(2) . ?
Ga1 H 1.532(14) . ?
N2 C3 1.3215(17) . ?
N2 C18 1.4387(17) . ?
N1 C1 1.3330(17) . ?
N1 C6 1.4420(17) . ?
C3 C2 1.4050(19) . ?
C3 C5 1.5074(19) . ?
C1 C2 1.4002(19) . ?
C1 C4 1.5054(19) . ?
C2 H2 0.9500 . ?
C18 C19 1.404(2) . ?
C18 C23 1.406(2) . ?
C19 C20 1.396(2) . ?
C19 C24 1.517(2) . ?
C23 C27 1.525(2) . ?
C23 C22 1.398(2) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C27 H27 1.0000 . ?
C27 C29 1.524(2) . ?
C27 C28 1.537(2) . ?
C6 C11 1.405(2) . ?
C6 C7 1.404(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.381(2) . ?
C11 C15 1.516(2) . ?
C11 C10 1.394(2) . ?
C12 H12 1.0000 . ?
C12 C7 1.516(2) . ?
C12 C13 1.533(2) . ?
C12 C14 1.534(2) . ?
C22 H22 0.9500 . ?
C22 C21 1.380(2) . ?
C7 C8 1.398(2) . ?
C24 H24 1.0000 . ?
C24 C25 1.529(2) . ?
C24 C26 1.530(2) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C21 H21 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C8 H8 0.9500 . ?
C8 C9 1.374(3) . ?
C15 H15 1.0000 . ?
C15 C16 1.518(2) . ?
C15 C17 1.523(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C10 H10 0.9500 . ?
C10 C9 1.382(3) . ?
C9 H9 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
Sb1' H1A 1.753(12) . ?
Sb1' H1B 1.623(10) . ?
