#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/29/7012945.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_7012945
loop_
_publ_author_name
'Nogai, Stefan D.'
'Schmidbaur, Hubert'
_publ_section_title
;
 Preparation and structure of soluble complexes of the ternary
 compounds GaSBr and GaSeBr
;
_journal_issue                   12
_journal_name_full               'Dalton Transactions'
_journal_page_first              2488
_journal_paper_doi               10.1039/b302815a
_journal_year                    2003
_chemical_formula_sum            'C21 H27 Cl3 Ga3 N3 S3'
_chemical_formula_weight         733.15
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.3148(10)
_cell_angle_beta                 91.3859(12)
_cell_angle_gamma                102.7276(16)
_cell_formula_units_Z            2
_cell_length_a                   9.3211(2)
_cell_length_b                   12.2126(3)
_cell_length_c                   13.7055(4)
_cell_measurement_reflns_used    35769
_cell_measurement_temperature    143(2)
_cell_volume                     1437.37(6)
_computing_cell_refinement       DENZO
_computing_data_collection       XPRESS
_computing_data_reduction        SCALEPACK
_computing_molecular_graphics    SHELXTL-PLUS
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  'NONIUS DIP 2020'
_diffrn_measurement_method       phi-rotation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            35769
_diffrn_reflns_theta_full        25.41
_diffrn_reflns_theta_max         25.41
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    3.304
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.723
_exptl_absorpt_correction_type   delabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       triangle
_exptl_crystal_F_000             732
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.307
_refine_diff_density_min         -0.311
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         4952
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0304
_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)+(0.0000P)²+1.6041P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0628
_refine_ls_wR_factor_ref         0.0655
_reflns_number_gt                4324
_reflns_number_total             4952
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b302815a.txt
_cod_data_source_block           nog36
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012945
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
Ga1 Ga 0.60965(4) 0.51583(3) 0.20957(3) 0.02096(9) Uani 1 1 d . . .
S1 S 0.70743(9) 0.54953(7) 0.36848(6) 0.02613(18) Uani 1 1 d . . .
Cl1 Cl 0.55745(11) 0.32472(7) 0.12409(7) 0.0375(2) Uani 1 1 d . . .
Ga2 Ga 0.75488(4) 0.74607(3) 0.43259(3) 0.02162(10) Uani 1 1 d . . .
S2 S 0.86837(9) 0.87297(7) 0.35708(6) 0.02561(18) Uani 1 1 d . . .
Cl2 Cl 0.86992(10) 0.79538(8) 0.58867(6) 0.0319(2) Uani 1 1 d . . .
Ga3 Ga 0.77139(4) 0.79890(3) 0.19349(3) 0.02067(9) Uani 1 1 d . . .
S3 S 0.71571(9) 0.60653(7) 0.10382(6) 0.02481(18) Uani 1 1 d . . .
Cl3 Cl 0.60028(10) 0.88781(8) 0.16232(7) 0.0351(2) Uani 1 1 d . . .
N11 N 0.4067(3) 0.5493(2) 0.2248(2) 0.0222(6) Uani 1 1 d . . .
C12 C 0.3292(4) 0.5294(3) 0.3021(3) 0.0257(7) Uani 1 1 d . . .
H12 H 0.380(4) 0.507(3) 0.349(3) 0.033(10) Uiso 1 1 d . . .
C13 C 0.1883(4) 0.5471(3) 0.3133(3) 0.0258(7) Uani 1 1 d . . .
C14 C 0.1267(4) 0.5859(3) 0.2396(3) 0.0280(8) Uani 1 1 d . . .
H14 H 0.037(4) 0.599(3) 0.245(3) 0.035(10) Uiso 1 1 d . . .
C15 C 0.2042(4) 0.6062(3) 0.1597(3) 0.0257(7) Uani 1 1 d . . .
C16 C 0.3456(4) 0.5863(3) 0.1554(3) 0.0234(7) Uani 1 1 d . . .
H16 H 0.407(4) 0.596(3) 0.099(3) 0.023(9) Uiso 1 1 d . . .
C17 C 0.1065(5) 0.5252(4) 0.4008(3) 0.0356(9) Uani 1 1 d . . .
H17A H 0.078(5) 0.595(4) 0.443(3) 0.050(12) Uiso 1 1 d . . .
H17B H 0.166(5) 0.513(4) 0.453(4) 0.057(13) Uiso 1 1 d . . .
H17C H 0.033(6) 0.472(5) 0.377(4) 0.072(17) Uiso 1 1 d . . .
C18 C 0.1432(5) 0.6493(4) 0.0804(3) 0.0325(8) Uani 1 1 d . . .
H18B H 0.161(5) 0.620(4) 0.021(4) 0.049(13) Uiso 1 1 d . . .
H18A H 0.040(6) 0.645(4) 0.080(3) 0.057(13) Uiso 1 1 d . . .
H18C H 0.191(6) 0.729(5) 0.089(4) 0.070(16) Uiso 1 1 d . . .
N21 N 0.5590(3) 0.7898(2) 0.4669(2) 0.0227(6) Uani 1 1 d . . .
C22 C 0.4909(4) 0.7675(3) 0.5472(3) 0.0265(7) Uani 1 1 d . . .
H22 H 0.539(4) 0.729(3) 0.583(3) 0.035(10) Uiso 1 1 d . . .
C23 C 0.3578(4) 0.7958(3) 0.5726(3) 0.0270(7) Uani 1 1 d . . .
C24 C 0.2929(4) 0.8453(3) 0.5094(3) 0.0283(8) Uani 1 1 d . . .
H24 H 0.206(4) 0.866(3) 0.527(3) 0.033(10) Uiso 1 1 d . . .
C25 C 0.3589(4) 0.8661(3) 0.4260(3) 0.0266(7) Uani 1 1 d . . .
C26 C 0.4936(4) 0.8378(3) 0.4084(3) 0.0245(7) Uani 1 1 d . . .
H26 H 0.547(4) 0.854(3) 0.351(3) 0.027(9) Uiso 1 1 d . . .
C27 C 0.2875(6) 0.7748(4) 0.6645(3) 0.0396(10) Uani 1 1 d . . .
H27A H 0.280(6) 0.848(5) 0.711(4) 0.073(16) Uiso 1 1 d . . .
H27B H 0.334(6) 0.740(5) 0.693(4) 0.071(18) Uiso 1 1 d . . .
H27C H 0.189(7) 0.743(5) 0.648(4) 0.083(18) Uiso 1 1 d . . .
C28 C 0.2887(5) 0.9168(4) 0.3558(4) 0.0352(9) Uani 1 1 d . . .
H28A H 0.249(6) 0.978(5) 0.396(4) 0.071(16) Uiso 1 1 d . . .
H28B H 0.205(6) 0.859(5) 0.310(4) 0.078(16) Uiso 1 1 d . . .
H28C H 0.358(7) 0.945(5) 0.320(4) 0.087(19) Uiso 1 1 d . . .
N31 N 0.9298(3) 0.8598(2) 0.1116(2) 0.0208(6) Uani 1 1 d . . .
C32 C 0.9150(4) 0.8054(3) 0.0092(3) 0.0244(7) Uani 1 1 d . . .
H32 H 0.827(4) 0.753(3) -0.019(3) 0.029(10) Uiso 1 1 d . . .
C33 C 1.0231(4) 0.8294(3) -0.0530(3) 0.0287(8) Uani 1 1 d . . .
C34 C 1.1493(4) 0.9161(3) -0.0059(3) 0.0300(8) Uani 1 1 d . . .
H34 H 1.224(4) 0.937(3) -0.045(3) 0.037(10) Uiso 1 1 d . . .
C35 C 1.1668(4) 0.9765(3) 0.1003(3) 0.0267(7) Uani 1 1 d . . .
C36 C 1.0525(4) 0.9439(3) 0.1562(3) 0.0250(7) Uani 1 1 d . . .
H36 H 1.056(3) 0.979(3) 0.225(3) 0.016(8) Uiso 1 1 d . . .
C37 C 1.0039(6) 0.7612(4) -0.1670(3) 0.0437(10) Uani 1 1 d . . .
H37B H 1.070(5) 0.708(4) -0.186(3) 0.057(13) Uiso 1 1 d . . .
H37A H 1.019(5) 0.813(4) -0.207(3) 0.049(12) Uiso 1 1 d . . .
H37C H 0.907(6) 0.717(4) -0.186(4) 0.065(15) Uiso 1 1 d . . .
C38 C 1.3040(5) 1.0701(4) 0.1523(4) 0.0408(10) Uani 1 1 d . . .
H38A H 1.384(5) 1.030(4) 0.151(3) 0.050(12) Uiso 1 1 d . . .
H38B H 1.292(5) 1.122(4) 0.219(4) 0.057(14) Uiso 1 1 d . . .
H38C H 1.326(6) 1.124(5) 0.115(5) 0.092(19) Uiso 1 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'
S S 0.1246 0.1234 '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'
Ga Ga 0.2307 1.6083 '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
N11 Ga1 Cl1 102.41(8) . . ?
N11 Ga1 S3 106.94(8) . . ?
Cl1 Ga1 S3 106.58(4) . . ?
N11 Ga1 S1 105.83(8) . . ?
Cl1 Ga1 S1 109.73(4) . . ?
S3 Ga1 S1 123.40(3) . . ?
Ga2 S1 Ga1 101.54(3) . . ?
N21 Ga2 Cl2 101.26(8) . . ?
N21 Ga2 S1 107.15(8) . . ?
Cl2 Ga2 S1 105.97(3) . . ?
N21 Ga2 S2 105.44(8) . . ?
Cl2 Ga2 S2 108.13(4) . . ?
S1 Ga2 S2 126.22(3) . . ?
Ga3 S2 Ga2 105.46(4) . . ?
N31 Ga3 S3 100.21(8) . . ?
N31 Ga3 Cl3 99.01(8) . . ?
S3 Ga3 Cl3 112.06(4) . . ?
N31 Ga3 S2 105.60(8) . . ?
S3 Ga3 S2 123.52(3) . . ?
Cl3 Ga3 S2 112.22(4) . . ?
Ga1 S3 Ga3 105.68(4) . . ?
C16 N11 C12 119.5(3) . . ?
C16 N11 Ga1 120.0(2) . . ?
C12 N11 Ga1 120.4(2) . . ?
N11 C12 C13 122.4(3) . . ?
N11 C12 H12 114(2) . . ?
C13 C12 H12 123(2) . . ?
C12 C13 C14 117.0(3) . . ?
C12 C13 C17 120.8(3) . . ?
C14 C13 C17 122.2(3) . . ?
C15 C14 C13 121.4(3) . . ?
C15 C14 H14 119(2) . . ?
C13 C14 H14 119(2) . . ?
C14 C15 C16 117.2(3) . . ?
C14 C15 C18 123.0(3) . . ?
C16 C15 C18 119.8(3) . . ?
N11 C16 C15 122.5(3) . . ?
N11 C16 H16 115.1(19) . . ?
C15 C16 H16 122.3(19) . . ?
C13 C17 H17A 112(3) . . ?
C13 C17 H17B 114(3) . . ?
H17A C17 H17B 99(4) . . ?
C13 C17 H17C 109(4) . . ?
H17A C17 H17C 109(5) . . ?
H17B C17 H17C 113(5) . . ?
C15 C18 H18B 116(3) . . ?
C15 C18 H18A 114(3) . . ?
H18B C18 H18A 108(4) . . ?
C15 C18 H18C 112(3) . . ?
H18B C18 H18C 97(4) . . ?
H18A C18 H18C 107(4) . . ?
C26 N21 C22 119.0(3) . . ?
C26 N21 Ga2 120.3(2) . . ?
C22 N21 Ga2 120.7(2) . . ?
N21 C22 C23 122.2(3) . . ?
N21 C22 H22 115(2) . . ?
C23 C22 H22 123(2) . . ?
C22 C23 C24 117.0(3) . . ?
C22 C23 C27 121.3(3) . . ?
C24 C23 C27 121.7(3) . . ?
C25 C24 C23 121.6(3) . . ?
C25 C24 H24 121(2) . . ?
C23 C24 H24 117(2) . . ?
C24 C25 C26 117.2(3) . . ?
C24 C25 C28 122.2(3) . . ?
C26 C25 C28 120.6(3) . . ?
N21 C26 C25 122.9(3) . . ?
N21 C26 H26 117(2) . . ?
C25 C26 H26 120(2) . . ?
C23 C27 H27A 109(3) . . ?
C23 C27 H27B 112(4) . . ?
H27A C27 H27B 111(5) . . ?
C23 C27 H27C 110(4) . . ?
H27A C27 H27C 96(5) . . ?
H27B C27 H27C 117(5) . . ?
C25 C28 H28A 109(3) . . ?
C25 C28 H28B 112(3) . . ?
H28A C28 H28B 105(4) . . ?
C25 C28 H28C 109(4) . . ?
H28A C28 H28C 110(5) . . ?
H28B C28 H28C 112(5) . . ?
C36 N31 C32 119.3(3) . . ?
C36 N31 Ga3 122.9(2) . . ?
C32 N31 Ga3 117.5(2) . . ?
N31 C32 C33 122.9(3) . . ?
N31 C32 H32 117(2) . . ?
C33 C32 H32 120(2) . . ?
C32 C33 C34 117.1(3) . . ?
C32 C33 C37 120.7(4) . . ?
C34 C33 C37 122.1(4) . . ?
C33 C34 C35 121.4(3) . . ?
C33 C34 H34 120(2) . . ?
C35 C34 H34 118(2) . . ?
C36 C35 C34 116.8(3) . . ?
C36 C35 C38 121.4(3) . . ?
C34 C35 C38 121.8(3) . . ?
N31 C36 C35 122.4(3) . . ?
N31 C36 H36 116(2) . . ?
C35 C36 H36 122(2) . . ?
C33 C37 H37B 112(3) . . ?
C33 C37 H37A 112(3) . . ?
H37B C37 H37A 109(4) . . ?
C33 C37 H37C 109(3) . . ?
H37B C37 H37C 108(4) . . ?
H37A C37 H37C 106(4) . . ?
C35 C38 H38A 107(3) . . ?
C35 C38 H38B 114(3) . . ?
H38A C38 H38B 115(4) . . ?
C35 C38 H38C 109(4) . . ?
H38A C38 H38C 110(4) . . ?
H38B C38 H38C 102(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
Ga1 N11 2.024(3) . ?
Ga1 Cl1 2.1932(9) . ?
Ga1 S3 2.2138(9) . ?
Ga1 S1 2.2178(9) . ?
S1 Ga2 2.2175(9) . ?
Ga2 N21 2.038(3) . ?
Ga2 Cl2 2.2098(9) . ?
Ga2 S2 2.2204(9) . ?
S2 Ga3 2.2203(9) . ?
Ga3 N31 2.028(3) . ?
Ga3 S3 2.2173(9) . ?
Ga3 Cl3 2.2197(9) . ?
N11 C16 1.338(4) . ?
N11 C12 1.351(4) . ?
C12 C13 1.381(5) . ?
C12 H12 0.93(4) . ?
C13 C14 1.403(5) . ?
C13 C17 1.498(5) . ?
C14 C15 1.383(5) . ?
C14 H14 0.89(4) . ?
C15 C16 1.392(5) . ?
C15 C18 1.497(5) . ?
C16 H16 0.99(3) . ?
C17 H17A 0.96(5) . ?
C17 H17B 0.97(5) . ?
C17 H17C 0.81(6) . ?
C18 H18B 0.81(5) . ?
C18 H18A 0.95(5) . ?
C18 H18C 0.95(5) . ?
N21 C26 1.337(4) . ?
N21 C22 1.354(4) . ?
C22 C23 1.383(5) . ?
C22 H22 0.94(4) . ?
C23 C24 1.395(5) . ?
C23 C27 1.499(5) . ?
C24 C25 1.378(5) . ?
C24 H24 0.92(4) . ?
C25 C26 1.382(5) . ?
C25 C28 1.504(5) . ?
C26 H26 0.98(4) . ?
C27 H27A 0.94(6) . ?
C27 H27B 0.84(5) . ?
C27 H27C 0.90(6) . ?
C28 H28A 0.93(5) . ?
C28 H28B 0.98(6) . ?
C28 H28C 0.90(6) . ?
N31 C36 1.338(4) . ?
N31 C32 1.340(4) . ?
C32 C33 1.378(5) . ?
C32 H32 0.91(4) . ?
C33 C34 1.380(5) . ?
C33 C37 1.507(5) . ?
C34 C35 1.397(5) . ?
C34 H34 0.93(4) . ?
C35 C36 1.387(5) . ?
C35 C38 1.500(5) . ?
C36 H36 0.90(3) . ?
C37 H37B 0.97(5) . ?
C37 H37A 0.96(5) . ?
C37 H37C 0.93(5) . ?
C38 H38A 0.97(5) . ?
C38 H38B 0.96(5) . ?
C38 H38C 0.94(6) . ?
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
N11 Ga1 S1 Ga2 -72.11(8) . . . . ?
Cl1 Ga1 S1 Ga2 178.08(4) . . . . ?
S3 Ga1 S1 Ga2 51.24(5) . . . . ?
Ga1 S1 Ga2 N21 76.77(8) . . . . ?
Ga1 S1 Ga2 Cl2 -175.72(3) . . . . ?
Ga1 S1 Ga2 S2 -48.08(5) . . . . ?
N21 Ga2 S2 Ga3 -81.83(8) . . . . ?
Cl2 Ga2 S2 Ga3 170.50(3) . . . . ?
S1 Ga2 S2 Ga3 43.73(5) . . . . ?
Ga2 S2 Ga3 N31 -153.15(8) . . . . ?
Ga2 S2 Ga3 S3 -39.21(5) . . . . ?
Ga2 S2 Ga3 Cl3 100.01(4) . . . . ?
N11 Ga1 S3 Ga3 72.23(8) . . . . ?
Cl1 Ga1 S3 Ga3 -178.81(4) . . . . ?
S1 Ga1 S3 Ga3 -50.62(5) . . . . ?
N31 Ga3 S3 Ga1 159.34(8) . . . . ?
Cl3 Ga3 S3 Ga1 -96.50(4) . . . . ?
S2 Ga3 S3 Ga1 42.77(5) . . . . ?
Cl1 Ga1 N11 C16 -93.5(2) . . . . ?
S3 Ga1 N11 C16 18.4(3) . . . . ?
S1 Ga1 N11 C16 151.6(2) . . . . ?
Cl1 Ga1 N11 C12 83.5(2) . . . . ?
S3 Ga1 N11 C12 -164.6(2) . . . . ?
S1 Ga1 N11 C12 -31.4(3) . . . . ?
C16 N11 C12 C13 -0.7(5) . . . . ?
Ga1 N11 C12 C13 -177.7(2) . . . . ?
N11 C12 C13 C14 0.7(5) . . . . ?
N11 C12 C13 C17 -179.4(3) . . . . ?
C12 C13 C14 C15 -0.4(5) . . . . ?
C17 C13 C14 C15 179.7(3) . . . . ?
C13 C14 C15 C16 0.1(5) . . . . ?
C13 C14 C15 C18 -179.1(3) . . . . ?
C12 N11 C16 C15 0.4(5) . . . . ?
Ga1 N11 C16 C15 177.4(2) . . . . ?
C14 C15 C16 N11 -0.1(5) . . . . ?
C18 C15 C16 N11 179.2(3) . . . . ?
Cl2 Ga2 N21 C26 142.0(2) . . . . ?
S1 Ga2 N21 C26 -107.2(2) . . . . ?
S2 Ga2 N21 C26 29.5(3) . . . . ?
Cl2 Ga2 N21 C22 -40.0(3) . . . . ?
S1 Ga2 N21 C22 70.8(2) . . . . ?
S2 Ga2 N21 C22 -152.6(2) . . . . ?
C26 N21 C22 C23 -1.9(5) . . . . ?
Ga2 N21 C22 C23 -179.9(2) . . . . ?
N21 C22 C23 C24 2.2(5) . . . . ?
N21 C22 C23 C27 -177.5(3) . . . . ?
C22 C23 C24 C25 -0.6(5) . . . . ?
C27 C23 C24 C25 179.0(3) . . . . ?
C23 C24 C25 C26 -1.1(5) . . . . ?
C23 C24 C25 C28 178.6(3) . . . . ?
C22 N21 C26 C25 0.1(5) . . . . ?
Ga2 N21 C26 C25 178.1(2) . . . . ?
C24 C25 C26 N21 1.4(5) . . . . ?
C28 C25 C26 N21 -178.3(3) . . . . ?
S3 Ga3 N31 C36 -139.8(2) . . . . ?
Cl3 Ga3 N31 C36 105.7(2) . . . . ?
S2 Ga3 N31 C36 -10.5(3) . . . . ?
S3 Ga3 N31 C32 34.4(2) . . . . ?
Cl3 Ga3 N31 C32 -80.1(2) . . . . ?
S2 Ga3 N31 C32 163.6(2) . . . . ?
C36 N31 C32 C33 2.0(5) . . . . ?
Ga3 N31 C32 C33 -172.4(3) . . . . ?
N31 C32 C33 C34 -1.8(5) . . . . ?
N31 C32 C33 C37 177.0(4) . . . . ?
C32 C33 C34 C35 0.3(5) . . . . ?
C37 C33 C34 C35 -178.5(4) . . . . ?
C33 C34 C35 C36 1.0(5) . . . . ?
C33 C34 C35 C38 179.5(3) . . . . ?
C32 N31 C36 C35 -0.6(5) . . . . ?
Ga3 N31 C36 C35 173.4(2) . . . . ?
C34 C35 C36 N31 -0.8(5) . . . . ?
C38 C35 C36 N31 -179.3(3) . . . . ?
