# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ydkr
_database_code_depnum_ccdc_archive 'CCDC 1064001'
_audit_update_record             
;
2015-05-08 deposited with the CCDC.
2015-06-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H32 Ga N S2'
_chemical_formula_sum            'C25 H32 Ga N S2'
_chemical_formula_weight         480.36

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'
Ga Ga 0.2307 1.6083 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/a

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, z'

_cell_length_a                   8.0157(9)
_cell_length_b                   25.291(3)
_cell_length_c                   11.9431(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.129(7)
_cell_angle_gamma                90.00
_cell_volume                     2419.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1008
_exptl_absorpt_coefficient_mu    1.321
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6927
_exptl_absorpt_correction_T_max  0.8792
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21713
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.01
_diffrn_reflns_theta_max         27.48
_reflns_number_total             5527
_reflns_number_gt                4055
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0474P)²+1.1719P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5527
_refine_ls_number_parameters     286
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0698
_refine_ls_R_factor_gt           0.0458
_refine_ls_wR_factor_ref         0.1129
_refine_ls_wR_factor_gt          0.1032
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.23779(4) 0.622323(12) 0.10292(2) 0.04505(12) Uani 1 1 d . . .
S2 S -0.05120(11) 0.53853(4) 0.34754(7) 0.0667(3) Uani 1 1 d . . .
S3 S 0.02838(13) 0.67338(4) 0.41481(7) 0.0744(3) Uani 1 1 d . . .
C1 C 0.2966(3) 0.62780(10) -0.0554(2) 0.0402(6) Uani 1 1 d . . .
C2 C 0.0879(4) 0.63957(13) 0.2980(2) 0.0498(7) Uani 1 1 d . . .
C3 C 0.0505(3) 0.58462(12) 0.2692(2) 0.0477(7) Uani 1 1 d . . .
C4 C 0.1816(4) 0.66949(11) 0.2287(2) 0.0494(7) Uani 1 1 d . . .
C5 C 0.4921(4) 0.60259(12) -0.3878(2) 0.0484(7) Uani 1 1 d . . .
C6 C 0.4314(3) 0.61225(10) -0.2688(2) 0.0414(6) Uani 1 1 d . . .
C7 C 0.2171(3) 0.64996(10) -0.1506(2) 0.0391(6) Uani 1 1 d . . .
C8 C 0.5095(4) 0.59176(11) -0.1744(2) 0.0441(6) Uani 1 1 d . . .
H8 H 0.602(3) 0.5717(10) -0.179(2) 0.030(6) Uiso 1 1 d . . .
C9 C 0.4441(3) 0.59933(11) -0.0694(2) 0.0422(6) Uani 1 1 d . . .
N1 N 0.4873(3) 0.60148(10) 0.13586(18) 0.0482(6) Uani 1 1 d . . .
C10 C 0.1022(4) 0.56442(12) 0.1691(2) 0.0496(7) Uani 1 1 d . . .
C11 C 0.0546(3) 0.68167(11) -0.1413(2) 0.0449(6) Uani 1 1 d . . .
C12 C 0.2861(4) 0.64184(11) -0.2549(2) 0.0427(6) Uani 1 1 d . . .
H12 H 0.236(4) 0.6543(12) -0.321(3) 0.051(8) Uiso 1 1 d . . .
C13 C 0.6599(4) 0.57353(15) -0.3858(3) 0.0695(10) Uani 1 1 d . . .
H19 H 0.6972 0.5700 -0.4609 0.104 Uiso 1 1 calc R . .
H20 H 0.6468 0.5391 -0.3535 0.104 Uiso 1 1 calc R . .
H21 H 0.7407 0.5933 -0.3417 0.104 Uiso 1 1 calc R . .
C14 C 0.3631(5) 0.56773(14) -0.4497(3) 0.0666(9) Uani 1 1 d . . .
H22 H 0.2572 0.5855 -0.4535 0.100 Uiso 1 1 calc R . .
H23 H 0.3523 0.5349 -0.4103 0.100 Uiso 1 1 calc R . .
H24 H 0.3986 0.5609 -0.5242 0.100 Uiso 1 1 calc R . .
C15 C 0.0530(4) 0.51072(14) 0.1573(3) 0.0572(8) Uani 1 1 d . . .
H15 H 0.072(4) 0.4900(14) 0.097(3) 0.070(10) Uiso 1 1 d . . .
C16 C 0.5113(5) 0.65470(14) -0.4495(3) 0.0709(10) Uani 1 1 d . . .
H25 H 0.4041 0.6713 -0.4595 0.106 Uiso 1 1 calc R . .
H26 H 0.5570 0.6482 -0.5213 0.106 Uiso 1 1 calc R . .
H27 H 0.5849 0.6775 -0.4065 0.106 Uiso 1 1 calc R . .
C17 C 0.0841(4) 0.72988(13) -0.0659(3) 0.0656(9) Uani 1 1 d . . .
H28 H 0.1682 0.7520 -0.0968 0.098 Uiso 1 1 calc R . .
H29 H 0.1207 0.7184 0.0076 0.098 Uiso 1 1 calc R . .
H30 H -0.0179 0.7495 -0.0611 0.098 Uiso 1 1 calc R . .
C23 C 0.5284(4) 0.57366(12) 0.0318(2) 0.0536(7) Uani 1 1 d . . .
H31 H 0.4930 0.5371 0.0364 0.064 Uiso 1 1 calc R . .
H32 H 0.6484 0.5741 0.0237 0.064 Uiso 1 1 calc R . .
C24 C 0.5141(5) 0.56668(15) 0.2347(3) 0.0716(10) Uani 1 1 d . . .
H33 H 0.4470 0.5354 0.2254 0.107 Uiso 1 1 calc R . .
H34 H 0.4828 0.5851 0.3009 0.107 Uiso 1 1 calc R . .
H35 H 0.6297 0.5569 0.2417 0.107 Uiso 1 1 calc R . .
C18 C 0.2063(5) 0.72098(14) 0.2737(3) 0.0633(9) Uani 1 1 d . . .
H18 H 0.270(4) 0.7493(14) 0.239(3) 0.062(10) Uiso 1 1 d . . .
C19 C -0.0309(4) 0.49192(14) 0.2449(3) 0.0680(9) Uani 1 1 d . . .
H36 H -0.0727 0.4577 0.2491 0.082 Uiso 1 1 calc R . .
C20 C 0.1321(5) 0.72846(14) 0.3730(3) 0.0771(11) Uani 1 1 d . . .
H37 H 0.1373 0.7599 0.4133 0.092 Uiso 1 1 calc R . .
C21 C -0.0145(5) 0.70163(17) -0.2550(3) 0.0763(11) Uani 1 1 d . . .
H38 H -0.1150 0.7214 -0.2445 0.115 Uiso 1 1 calc R . .
H39 H -0.0386 0.6720 -0.3033 0.115 Uiso 1 1 calc R . .
H40 H 0.0667 0.7240 -0.2884 0.115 Uiso 1 1 calc R . .
C25 C 0.5909(4) 0.64971(14) 0.1498(3) 0.0662(9) Uani 1 1 d . . .
H41 H 0.7067 0.6400 0.1556 0.099 Uiso 1 1 calc R . .
H42 H 0.5611 0.6680 0.2167 0.099 Uiso 1 1 calc R . .
H43 H 0.5722 0.6724 0.0862 0.099 Uiso 1 1 calc R . .
C22 C -0.0786(4) 0.64627(14) -0.0909(3) 0.0672(9) Uani 1 1 d . . .
H44 H -0.0470 0.6382 -0.0145 0.101 Uiso 1 1 calc R . .
H45 H -0.0883 0.6141 -0.1332 0.101 Uiso 1 1 calc R . .
H46 H -0.1840 0.6644 -0.0936 0.101 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C1 1.971(3) . ?
Ga1 C4 1.983(3) . ?
Ga1 C10 2.004(3) . ?
Ga1 N1 2.092(3) . ?
S2 C19 1.712(4) . ?
S2 C3 1.719(3) . ?
S3 C20 1.707(4) . ?
S3 C2 1.718(3) . ?
C1 C9 1.400(4) . ?
C1 C7 1.400(4) . ?
C2 C4 1.367(4) . ?
C2 C3 1.460(4) . ?
C3 C10 1.378(4) . ?
C4 C18 1.420(4) . ?
C5 C16 1.520(4) . ?
C5 C14 1.529(4) . ?
C5 C13 1.532(4) . ?
C5 C6 1.539(3) . ?
C6 C8 1.371(4) . ?
C6 C12 1.400(4) . ?
C7 C12 1.396(4) . ?
C7 C11 1.537(4) . ?
C8 C9 1.390(4) . ?
C9 C23 1.509(4) . ?
N1 C23 1.476(3) . ?
N1 C25 1.482(4) . ?
N1 C24 1.481(4) . ?
C10 C15 1.420(4) . ?
C11 C17 1.529(4) . ?
C11 C21 1.533(4) . ?
C11 C22 1.533(4) . ?
C15 C19 1.352(4) . ?
C18 C20 1.359(5) . ?

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
C1 Ga1 C4 138.92(11) . . ?
C1 Ga1 C10 125.63(11) . . ?
C4 Ga1 C10 89.95(12) . . ?
C1 Ga1 N1 86.38(10) . . ?
C4 Ga1 N1 104.57(11) . . ?
C10 Ga1 N1 105.69(11) . . ?
C19 S2 C3 91.01(15) . . ?
C20 S3 C2 90.89(16) . . ?
C9 C1 C7 118.0(2) . . ?
C9 C1 Ga1 108.16(19) . . ?
C7 C1 Ga1 133.6(2) . . ?
C4 C2 C3 119.8(2) . . ?
C4 C2 S3 113.1(2) . . ?
C3 C2 S3 127.2(2) . . ?
C10 C3 C2 119.5(3) . . ?
C10 C3 S2 112.6(2) . . ?
C2 C3 S2 127.9(2) . . ?
C2 C4 C18 110.5(3) . . ?
C2 C4 Ga1 105.7(2) . . ?
C18 C4 Ga1 143.7(2) . . ?
C16 C5 C14 110.2(3) . . ?
C16 C5 C13 108.6(3) . . ?
C14 C5 C13 108.0(3) . . ?
C16 C5 C6 110.5(2) . . ?
C14 C5 C6 107.8(2) . . ?
C13 C5 C6 111.7(2) . . ?
C8 C6 C12 117.4(2) . . ?
C8 C6 C5 123.3(3) . . ?
C12 C6 C5 119.2(3) . . ?
C12 C7 C1 118.8(2) . . ?
C12 C7 C11 120.4(2) . . ?
C1 C7 C11 120.7(2) . . ?
C6 C8 C9 120.9(3) . . ?
C8 C9 C1 121.8(3) . . ?
C8 C9 C23 119.4(2) . . ?
C1 C9 C23 118.7(2) . . ?
C23 N1 C25 110.2(2) . . ?
C23 N1 C24 110.9(2) . . ?
C25 N1 C24 109.6(3) . . ?
C23 N1 Ga1 101.75(18) . . ?
C25 N1 Ga1 110.0(2) . . ?
C24 N1 Ga1 114.1(2) . . ?
C3 C10 C15 110.5(3) . . ?
C3 C10 Ga1 104.8(2) . . ?
C15 C10 Ga1 144.4(2) . . ?
C17 C11 C21 107.6(3) . . ?
C17 C11 C22 109.2(3) . . ?
C21 C11 C22 107.8(3) . . ?
C17 C11 C7 110.2(2) . . ?
C21 C11 C7 112.8(2) . . ?
C22 C11 C7 109.2(2) . . ?
C7 C12 C6 122.9(3) . . ?
C19 C15 C10 113.8(3) . . ?
N1 C23 C9 111.2(2) . . ?
C20 C18 C4 113.5(3) . . ?
C15 C19 S2 112.0(3) . . ?
C18 C20 S3 112.0(3) . . ?

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
C4 Ga1 C1 C9 127.7(2) . . . . ?
C10 Ga1 C1 C9 -87.2(2) . . . . ?
N1 Ga1 C1 C9 19.53(19) . . . . ?
C4 Ga1 C1 C7 -57.7(3) . . . . ?
C10 Ga1 C1 C7 87.5(3) . . . . ?
N1 Ga1 C1 C7 -165.8(3) . . . . ?
C20 S3 C2 C4 -0.9(3) . . . . ?
C20 S3 C2 C3 178.4(3) . . . . ?
C4 C2 C3 C10 -3.6(4) . . . . ?
S3 C2 C3 C10 177.1(2) . . . . ?
C4 C2 C3 S2 175.0(2) . . . . ?
S3 C2 C3 S2 -4.3(4) . . . . ?
C19 S2 C3 C10 -1.6(3) . . . . ?
C19 S2 C3 C2 179.7(3) . . . . ?
C3 C2 C4 C18 -178.6(3) . . . . ?
S3 C2 C4 C18 0.7(4) . . . . ?
C3 C2 C4 Ga1 -0.3(3) . . . . ?
S3 C2 C4 Ga1 179.11(15) . . . . ?
C1 Ga1 C4 C2 154.8(2) . . . . ?
C10 Ga1 C4 C2 2.5(2) . . . . ?
N1 Ga1 C4 C2 -103.7(2) . . . . ?
C1 Ga1 C4 C18 -27.8(5) . . . . ?
C10 Ga1 C4 C18 179.9(4) . . . . ?
N1 Ga1 C4 C18 73.7(4) . . . . ?
C16 C5 C6 C8 -128.0(3) . . . . ?
C14 C5 C6 C8 111.5(3) . . . . ?
C13 C5 C6 C8 -7.0(4) . . . . ?
C16 C5 C6 C12 54.2(4) . . . . ?
C14 C5 C6 C12 -66.2(3) . . . . ?
C13 C5 C6 C12 175.3(3) . . . . ?
C9 C1 C7 C12 1.3(4) . . . . ?
Ga1 C1 C7 C12 -173.0(2) . . . . ?
C9 C1 C7 C11 179.9(2) . . . . ?
Ga1 C1 C7 C11 5.6(4) . . . . ?
C12 C6 C8 C9 1.3(4) . . . . ?
C5 C6 C8 C9 -176.5(3) . . . . ?
C6 C8 C9 C1 0.2(4) . . . . ?
C6 C8 C9 C23 176.7(3) . . . . ?
C7 C1 C9 C8 -1.6(4) . . . . ?
Ga1 C1 C9 C8 174.1(2) . . . . ?
C7 C1 C9 C23 -178.0(3) . . . . ?
Ga1 C1 C9 C23 -2.4(3) . . . . ?
C1 Ga1 N1 C23 -31.79(18) . . . . ?
C4 Ga1 N1 C23 -171.60(18) . . . . ?
C10 Ga1 N1 C23 94.26(19) . . . . ?
C1 Ga1 N1 C25 85.02(19) . . . . ?
C4 Ga1 N1 C25 -54.8(2) . . . . ?
C10 Ga1 N1 C25 -148.93(19) . . . . ?
C1 Ga1 N1 C24 -151.3(2) . . . . ?
C4 Ga1 N1 C24 68.9(2) . . . . ?
C10 Ga1 N1 C24 -25.3(2) . . . . ?
C2 C3 C10 C15 -179.8(3) . . . . ?
S2 C3 C10 C15 1.4(4) . . . . ?
C2 C3 C10 Ga1 5.1(3) . . . . ?
S2 C3 C10 Ga1 -173.71(15) . . . . ?
C1 Ga1 C10 C3 -162.06(19) . . . . ?
C4 Ga1 C10 C3 -4.1(2) . . . . ?
N1 Ga1 C10 C3 101.0(2) . . . . ?
C1 Ga1 C10 C15 25.9(5) . . . . ?
C4 Ga1 C10 C15 -176.2(4) . . . . ?
N1 Ga1 C10 C15 -71.1(4) . . . . ?
C12 C7 C11 C17 -120.4(3) . . . . ?
C1 C7 C11 C17 60.9(3) . . . . ?
C12 C7 C11 C21 -0.2(4) . . . . ?
C1 C7 C11 C21 -178.8(3) . . . . ?
C12 C7 C11 C22 119.6(3) . . . . ?
C1 C7 C11 C22 -59.1(3) . . . . ?
C1 C7 C12 C6 0.3(4) . . . . ?
C11 C7 C12 C6 -178.4(3) . . . . ?
C8 C6 C12 C7 -1.6(4) . . . . ?
C5 C6 C12 C7 176.3(3) . . . . ?
C3 C10 C15 C19 -0.2(4) . . . . ?
Ga1 C10 C15 C19 171.6(3) . . . . ?
C25 N1 C23 C9 -79.7(3) . . . . ?
C24 N1 C23 C9 158.7(3) . . . . ?
Ga1 N1 C23 C9 37.0(3) . . . . ?
C8 C9 C23 N1 157.6(3) . . . . ?
C1 C9 C23 N1 -25.8(4) . . . . ?
C2 C4 C18 C20 -0.2(5) . . . . ?
Ga1 C4 C18 C20 -177.5(3) . . . . ?
C10 C15 C19 S2 -1.0(4) . . . . ?
C3 S2 C19 C15 1.5(3) . . . . ?
C4 C18 C20 S3 -0.5(4) . . . . ?
C2 S3 C20 C18 0.8(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.481
_refine_diff_density_min         -0.288
_refine_diff_density_rms         0.062
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ydkr
_database_code_depnum_ccdc_archive 'CCDC 1064002'
_audit_update_record             
;
2015-05-08 deposited with the CCDC.
2015-06-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H49 Cl3 Ga N S2 Si2'
_chemical_formula_sum            'C32 H49 Cl3 Ga N S2 Si2'
_chemical_formula_weight         744.09

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P212121

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   11.6396(7)
_cell_length_b                   14.2359(9)
_cell_length_c                   23.9678(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3971.5(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1560
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8048
_exptl_absorpt_correction_T_max  0.8812
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38324
_diffrn_reflns_av_R_equivalents  0.1138
_diffrn_reflns_av_sigmaI/netI    0.0996
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         3.09
_diffrn_reflns_theta_max         27.47
_reflns_number_total             9066
_reflns_number_gt                5208
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0965P)²+0.1797P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.515(17)
_refine_ls_number_reflns         9066
_refine_ls_number_parameters     384
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1402
_refine_ls_R_factor_gt           0.0753
_refine_ls_wR_factor_ref         0.1911
_refine_ls_wR_factor_gt          0.1647
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.87737(6) 0.73546(5) 0.22128(3) 0.0534(2) Uani 1 1 d . . .
S1 S 1.18695(13) 0.77429(13) 0.31969(6) 0.0617(4) Uani 1 1 d . . .
S2 S 0.93898(14) 0.71735(14) 0.40005(6) 0.0668(5) Uani 1 1 d . . .
Si1 Si 0.71738(19) 0.64404(18) 0.45912(9) 0.0833(7) Uani 1 1 d . . .
Si2 Si 1.39494(18) 0.80296(19) 0.23854(10) 0.0878(7) Uani 1 1 d . . .
C1 C 1.0495(5) 0.7579(4) 0.2961(2) 0.0493(13) Uani 1 1 d . . .
C2 C 0.6297(6) 0.7582(4) 0.0637(2) 0.0607(15) Uani 1 1 d . . .
C3 C 1.0403(5) 0.7616(4) 0.2396(2) 0.0551(15) Uani 1 1 d . . .
C4 C 0.7776(5) 0.7645(4) 0.1562(2) 0.0517(14) Uani 1 1 d . . .
C5 C 0.9464(5) 0.7389(4) 0.3295(2) 0.0521(14) Uani 1 1 d . . .
N1 N 0.8712(5) 0.5952(3) 0.1957(2) 0.0623(13) Uani 1 1 d . . .
C6 C 0.7328(5) 0.6783(4) 0.1361(3) 0.0550(16) Uani 1 1 d . . .
C7 C 0.6603(5) 0.6767(4) 0.0906(3) 0.0599(17) Uani 1 1 d . . .
H1 H 0.6316 0.6196 0.0779 0.072 Uiso 1 1 calc R . .
C8 C 0.7962(6) 0.9420(4) 0.1477(3) 0.0639(18) Uani 1 1 d . . .
C9 C 0.7944(5) 0.6912(5) 0.3969(3) 0.0619(17) Uani 1 1 d . . .
C23 C 0.7580(6) 0.5903(5) 0.1683(3) 0.0670(19) Uani 1 1 d . . .
H2 H 0.6990 0.5809 0.1963 0.080 Uiso 1 1 calc R . .
H3 H 0.7565 0.5370 0.1431 0.080 Uiso 1 1 calc R . .
C10 C 1.2393(5) 0.7851(5) 0.2526(3) 0.0596(16) Uani 1 1 d . . .
C11 C 1.1499(5) 0.7769(4) 0.2162(3) 0.0618(16) Uani 1 1 d . . .
H4 H 1.1606 0.7811 0.1778 0.074 Uiso 1 1 calc R . .
C12 C 0.7500(5) 0.8467(4) 0.1291(3) 0.0504(14) Uani 1 1 d . . .
C13 C 0.8409(5) 0.7275(4) 0.3032(2) 0.0551(14) Uani 1 1 d . . .
C14 C 0.7575(6) 0.7009(4) 0.3435(3) 0.0612(17) Uani 1 1 d . . .
H5 H 0.6812 0.6907 0.3337 0.073 Uiso 1 1 calc R . .
C15 C 0.5490(6) 0.7567(5) 0.0129(3) 0.0727(19) Uani 1 1 d . . .
C16 C 0.4733(7) 0.8460(6) 0.0105(4) 0.096(3) Uani 1 1 d . . .
H6 H 0.4129 0.8370 -0.0163 0.145 Uiso 1 1 calc R . .
H7 H 0.5195 0.8987 -0.0004 0.145 Uiso 1 1 calc R . .
H8 H 0.4405 0.8575 0.0466 0.145 Uiso 1 1 calc R . .
C17 C 0.7344(12) 1.0234(6) 0.1205(6) 0.187(7) Uani 1 1 d . . .
H9 H 0.7477 1.0221 0.0810 0.280 Uiso 1 1 calc R . .
H10 H 0.7627 1.0813 0.1357 0.280 Uiso 1 1 calc R . .
H11 H 0.6535 1.0183 0.1277 0.280 Uiso 1 1 calc R . .
C24 C 0.9639(8) 0.5777(7) 0.1525(4) 0.101(3) Uani 1 1 d . . .
H12 H 0.9568 0.5148 0.1384 0.151 Uiso 1 1 calc R . .
H13 H 1.0381 0.5854 0.1694 0.151 Uiso 1 1 calc R . .
H14 H 0.9555 0.6216 0.1224 0.151 Uiso 1 1 calc R . .
C18 C 0.9248(7) 0.9487(7) 0.1334(4) 0.100(3) Uani 1 1 d . . .
H15 H 0.9669 0.9042 0.1555 0.151 Uiso 1 1 calc R . .
H16 H 0.9520 1.0110 0.1412 0.151 Uiso 1 1 calc R . .
H17 H 0.9359 0.9350 0.0946 0.151 Uiso 1 1 calc R . .
C19 C 0.4654(9) 0.6732(7) 0.0159(4) 0.110(3) Uani 1 1 d . . .
H18 H 0.4343 0.6687 0.0529 0.166 Uiso 1 1 calc R . .
H19 H 0.5056 0.6163 0.0069 0.166 Uiso 1 1 calc R . .
H20 H 0.4040 0.6826 -0.0103 0.166 Uiso 1 1 calc R . .
C20 C 0.6203(8) 0.7499(6) -0.0398(3) 0.101(3) Uani 1 1 d . . .
H21 H 0.5703 0.7465 -0.0716 0.151 Uiso 1 1 calc R . .
H22 H 0.6673 0.6946 -0.0383 0.151 Uiso 1 1 calc R . .
H23 H 0.6684 0.8044 -0.0430 0.151 Uiso 1 1 calc R . .
C21 C 0.6777(5) 0.8407(4) 0.0832(3) 0.0594(16) Uani 1 1 d . . .
H24 H 0.6604 0.8959 0.0642 0.071 Uiso 1 1 calc R . .
C22 C 0.7831(8) 0.9540(5) 0.2110(3) 0.098(3) Uani 1 1 d . . .
H25 H 0.7101 0.9294 0.2226 0.147 Uiso 1 1 calc R . .
H26 H 0.7874 1.0195 0.2204 0.147 Uiso 1 1 calc R . .
H27 H 0.8436 0.9207 0.2297 0.147 Uiso 1 1 calc R . .
C25 C 0.8839(9) 0.5281(5) 0.2405(3) 0.094(3) Uani 1 1 d . . .
H28 H 0.8254 0.5387 0.2680 0.141 Uiso 1 1 calc R . .
H29 H 0.9582 0.5354 0.2573 0.141 Uiso 1 1 calc R . .
H30 H 0.8766 0.4656 0.2259 0.141 Uiso 1 1 calc R . .
Cl1 Cl 0.1741(4) 0.4628(3) 0.05031(18) 0.1958(18) Uani 1 1 d . . .
Cl2 Cl 0.4120(4) 0.4227(3) 0.0630(2) 0.206(2) Uani 1 1 d . . .
Cl3 Cl 0.2911(4) 0.5259(3) 0.14617(16) 0.1891(17) Uani 1 1 d . . .
C27 C 0.5628(8) 0.6359(8) 0.4434(4) 0.127(4) Uani 1 1 d . . .
H31 H 0.5205 0.6294 0.4776 0.190 Uiso 1 1 calc R . .
H32 H 0.5490 0.5822 0.4201 0.190 Uiso 1 1 calc R . .
H33 H 0.5384 0.6917 0.4244 0.190 Uiso 1 1 calc R . .
C28 C 0.7487(11) 0.7147(10) 0.5200(4) 0.156(5) Uani 1 1 d . . .
H34 H 0.7333 0.7795 0.5119 0.233 Uiso 1 1 calc R . .
H35 H 0.8281 0.7075 0.5299 0.233 Uiso 1 1 calc R . .
H36 H 0.7013 0.6946 0.5506 0.233 Uiso 1 1 calc R . .
C30 C 0.7707(11) 0.5227(8) 0.4719(6) 0.160(5) Uani 1 1 d . . .
H37 H 0.8437 0.5255 0.4905 0.240 Uiso 1 1 calc R . .
H38 H 0.7792 0.4905 0.4370 0.240 Uiso 1 1 calc R . .
H39 H 0.7168 0.4895 0.4950 0.240 Uiso 1 1 calc R . .
C26 C 0.2825(11) 0.4374(7) 0.0977(5) 0.134(4) Uani 1 1 d . . .
H40 H 0.2634 0.3787 0.1170 0.160 Uiso 1 1 calc R . .
C31 C 1.4604(9) 0.8698(10) 0.2959(6) 0.201(7) Uani 1 1 d . . .
H41 H 1.4370 0.8433 0.3309 0.301 Uiso 1 1 calc R . .
H42 H 1.4358 0.9341 0.2939 0.301 Uiso 1 1 calc R . .
H43 H 1.5425 0.8669 0.2928 0.301 Uiso 1 1 calc R . .
C33 C 1.4070(11) 0.8655(16) 0.1716(6) 0.281(14) Uani 1 1 d . . .
H47 H 1.4807 0.8530 0.1553 0.421 Uiso 1 1 calc R . .
H48 H 1.3990 0.9318 0.1778 0.421 Uiso 1 1 calc R . .
H49 H 1.3476 0.8445 0.1468 0.421 Uiso 1 1 calc R . .
C34 C 1.4687(10) 0.6911(11) 0.2331(8) 0.210(8) Uani 1 1 d . . .
H50 H 1.5501 0.7016 0.2316 0.315 Uiso 1 1 calc R . .
H51 H 1.4443 0.6593 0.1999 0.315 Uiso 1 1 calc R . .
H52 H 1.4508 0.6532 0.2651 0.315 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C3 1.982(6) . ?
Ga1 C4 1.988(6) . ?
Ga1 C13 2.012(6) . ?
Ga1 N1 2.089(5) . ?
S1 C1 1.713(6) . ?
S1 C10 1.727(6) . ?
S2 C5 1.722(6) . ?
S2 C9 1.726(6) . ?
Si1 C28 1.810(11) . ?
Si1 C27 1.842(10) . ?
Si1 C30 1.861(11) . ?
Si1 C9 1.864(7) . ?
Si2 C34 1.814(14) . ?
Si2 C31 1.837(11) . ?
Si2 C33 1.840(12) . ?
Si2 C10 1.860(7) . ?
C1 C3 1.359(8) . ?
C1 C5 1.467(8) . ?
C2 C7 1.374(8) . ?
C2 C21 1.381(8) . ?
C2 C15 1.538(9) . ?
C3 C11 1.410(8) . ?
C4 C12 1.376(8) . ?
C4 C6 1.418(8) . ?
C5 C13 1.390(8) . ?
N1 C25 1.445(8) . ?
N1 C23 1.474(9) . ?
N1 C24 1.515(10) . ?
C6 C7 1.380(9) . ?
C6 C23 1.499(9) . ?
C8 C17 1.510(11) . ?
C8 C12 1.525(9) . ?
C8 C22 1.536(10) . ?
C8 C18 1.539(11) . ?
C9 C14 1.359(9) . ?
C10 C11 1.363(8) . ?
C12 C21 1.389(8) . ?
C13 C14 1.420(8) . ?
C15 C20 1.515(11) . ?
C15 C19 1.538(11) . ?
C15 C16 1.548(10) . ?
Cl1 C26 1.736(12) . ?
Cl2 C26 1.733(12) . ?
Cl3 C26 1.717(12) . ?

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
C3 Ga1 C4 133.9(2) . . ?
C3 Ga1 C13 89.8(2) . . ?
C4 Ga1 C13 130.8(2) . . ?
C3 Ga1 N1 106.1(2) . . ?
C4 Ga1 N1 87.1(2) . . ?
C13 Ga1 N1 103.0(2) . . ?
C1 S1 C10 91.9(3) . . ?
C5 S2 C9 92.6(3) . . ?
C28 Si1 C27 113.4(6) . . ?
C28 Si1 C30 108.4(6) . . ?
C27 Si1 C30 107.5(6) . . ?
C28 Si1 C9 110.4(4) . . ?
C27 Si1 C9 109.2(4) . . ?
C30 Si1 C9 107.8(5) . . ?
C34 Si2 C31 108.2(8) . . ?
C34 Si2 C33 109.1(9) . . ?
C31 Si2 C33 111.7(8) . . ?
C34 Si2 C10 110.7(5) . . ?
C31 Si2 C10 109.8(4) . . ?
C33 Si2 C10 107.3(5) . . ?
C3 C1 C5 119.1(5) . . ?
C3 C1 S1 113.4(4) . . ?
C5 C1 S1 127.5(4) . . ?
C7 C2 C21 117.0(5) . . ?
C7 C2 C15 121.2(6) . . ?
C21 C2 C15 121.7(6) . . ?
C1 C3 C11 109.4(5) . . ?
C1 C3 Ga1 106.8(4) . . ?
C11 C3 Ga1 143.7(4) . . ?
C12 C4 C6 119.4(5) . . ?
C12 C4 Ga1 133.1(5) . . ?
C6 C4 Ga1 107.5(4) . . ?
C13 C5 C1 119.8(5) . . ?
C13 C5 S2 112.3(4) . . ?
C1 C5 S2 127.6(4) . . ?
C25 N1 C23 113.1(6) . . ?
C25 N1 C24 108.9(6) . . ?
C23 N1 C24 108.9(6) . . ?
C25 N1 Ga1 114.3(4) . . ?
C23 N1 Ga1 101.9(4) . . ?
C24 N1 Ga1 109.5(5) . . ?
C7 C6 C4 120.5(6) . . ?
C7 C6 C23 120.8(5) . . ?
C4 C6 C23 118.5(5) . . ?
C2 C7 C6 121.1(6) . . ?
C17 C8 C12 112.9(6) . . ?
C17 C8 C22 107.0(8) . . ?
C12 C8 C22 110.6(6) . . ?
C17 C8 C18 108.7(8) . . ?
C12 C8 C18 109.4(6) . . ?
C22 C8 C18 108.0(7) . . ?
C14 C9 S2 109.1(5) . . ?
C14 C9 Si1 129.7(5) . . ?
S2 C9 Si1 120.8(4) . . ?
N1 C23 C6 111.4(5) . . ?
C11 C10 S1 108.6(5) . . ?
C11 C10 Si2 129.7(5) . . ?
S1 C10 Si2 121.6(4) . . ?
C10 C11 C3 116.6(6) . . ?
C4 C12 C21 117.6(5) . . ?
C4 C12 C8 122.4(6) . . ?
C21 C12 C8 120.0(5) . . ?
C5 C13 C14 109.1(5) . . ?
C5 C13 Ga1 104.4(4) . . ?
C14 C13 Ga1 145.3(5) . . ?
C9 C14 C13 116.9(6) . . ?
C20 C15 C19 109.7(7) . . ?
C20 C15 C2 109.1(6) . . ?
C19 C15 C2 111.1(6) . . ?
C20 C15 C16 109.4(6) . . ?
C19 C15 C16 106.0(7) . . ?
C2 C15 C16 111.5(5) . . ?
C2 C21 C12 124.5(5) . . ?
Cl3 C26 Cl2 111.3(7) . . ?
Cl3 C26 Cl1 109.4(6) . . ?
Cl2 C26 Cl1 110.1(7) . . ?

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
C10 S1 C1 C3 -0.9(6) . . . . ?
C10 S1 C1 C5 177.4(6) . . . . ?
C5 C1 C3 C11 -177.7(5) . . . . ?
S1 C1 C3 C11 0.8(7) . . . . ?
C5 C1 C3 Ga1 -1.0(7) . . . . ?
S1 C1 C3 Ga1 177.5(3) . . . . ?
C4 Ga1 C3 C1 157.1(4) . . . . ?
C13 Ga1 C3 C1 2.3(5) . . . . ?
N1 Ga1 C3 C1 -101.2(5) . . . . ?
C4 Ga1 C3 C11 -28.2(10) . . . . ?
C13 Ga1 C3 C11 177.0(9) . . . . ?
N1 Ga1 C3 C11 73.5(9) . . . . ?
C3 Ga1 C4 C12 -54.5(7) . . . . ?
C13 Ga1 C4 C12 91.2(6) . . . . ?
N1 Ga1 C4 C12 -164.1(6) . . . . ?
C3 Ga1 C4 C6 123.7(4) . . . . ?
C13 Ga1 C4 C6 -90.6(5) . . . . ?
N1 Ga1 C4 C6 14.1(4) . . . . ?
C3 C1 C5 C13 -1.8(9) . . . . ?
S1 C1 C5 C13 179.9(5) . . . . ?
C3 C1 C5 S2 171.8(5) . . . . ?
S1 C1 C5 S2 -6.5(9) . . . . ?
C9 S2 C5 C13 0.6(5) . . . . ?
C9 S2 C5 C1 -173.4(6) . . . . ?
C3 Ga1 N1 C25 73.2(6) . . . . ?
C4 Ga1 N1 C25 -151.7(6) . . . . ?
C13 Ga1 N1 C25 -20.3(6) . . . . ?
C3 Ga1 N1 C23 -164.4(4) . . . . ?
C4 Ga1 N1 C23 -29.4(4) . . . . ?
C13 Ga1 N1 C23 102.0(4) . . . . ?
C3 Ga1 N1 C24 -49.2(5) . . . . ?
C4 Ga1 N1 C24 85.9(5) . . . . ?
C13 Ga1 N1 C24 -142.8(5) . . . . ?
C12 C4 C6 C7 -1.3(9) . . . . ?
Ga1 C4 C6 C7 -179.8(5) . . . . ?
C12 C4 C6 C23 -176.3(6) . . . . ?
Ga1 C4 C6 C23 5.2(7) . . . . ?
C21 C2 C7 C6 2.1(9) . . . . ?
C15 C2 C7 C6 179.9(6) . . . . ?
C4 C6 C7 C2 -0.1(10) . . . . ?
C23 C6 C7 C2 174.8(6) . . . . ?
C5 S2 C9 C14 -0.9(5) . . . . ?
C5 S2 C9 Si1 172.6(4) . . . . ?
C28 Si1 C9 C14 -139.1(8) . . . . ?
C27 Si1 C9 C14 -13.9(8) . . . . ?
C30 Si1 C9 C14 102.7(8) . . . . ?
C28 Si1 C9 S2 48.9(7) . . . . ?
C27 Si1 C9 S2 174.2(5) . . . . ?
C30 Si1 C9 S2 -69.3(6) . . . . ?
C25 N1 C23 C6 161.3(6) . . . . ?
C24 N1 C23 C6 -77.5(7) . . . . ?
Ga1 N1 C23 C6 38.2(6) . . . . ?
C7 C6 C23 N1 153.2(6) . . . . ?
C4 C6 C23 N1 -31.8(8) . . . . ?
C1 S1 C10 C11 0.7(5) . . . . ?
C1 S1 C10 Si2 -178.4(4) . . . . ?
C34 Si2 C10 C11 -91.1(9) . . . . ?
C31 Si2 C10 C11 149.5(8) . . . . ?
C33 Si2 C10 C11 27.8(11) . . . . ?
C34 Si2 C10 S1 87.8(8) . . . . ?
C31 Si2 C10 S1 -31.6(8) . . . . ?
C33 Si2 C10 S1 -153.2(8) . . . . ?
S1 C10 C11 C3 -0.4(8) . . . . ?
Si2 C10 C11 C3 178.7(5) . . . . ?
C1 C3 C11 C10 -0.3(9) . . . . ?
Ga1 C3 C11 C10 -174.9(6) . . . . ?
C6 C4 C12 C21 0.6(9) . . . . ?
Ga1 C4 C12 C21 178.6(5) . . . . ?
C6 C4 C12 C8 -179.1(6) . . . . ?
Ga1 C4 C12 C8 -1.1(10) . . . . ?
C17 C8 C12 C4 -167.0(9) . . . . ?
C22 C8 C12 C4 -47.1(9) . . . . ?
C18 C8 C12 C4 71.8(8) . . . . ?
C17 C8 C12 C21 13.3(11) . . . . ?
C22 C8 C12 C21 133.2(7) . . . . ?
C18 C8 C12 C21 -107.9(7) . . . . ?
C1 C5 C13 C14 174.4(5) . . . . ?
S2 C5 C13 C14 -0.1(7) . . . . ?
C1 C5 C13 Ga1 3.4(7) . . . . ?
S2 C5 C13 Ga1 -171.1(3) . . . . ?
C3 Ga1 C13 C5 -3.1(5) . . . . ?
C4 Ga1 C13 C5 -159.1(4) . . . . ?
N1 Ga1 C13 C5 103.4(4) . . . . ?
C3 Ga1 C13 C14 -168.0(8) . . . . ?
C4 Ga1 C13 C14 35.9(10) . . . . ?
N1 Ga1 C13 C14 -61.6(8) . . . . ?
S2 C9 C14 C13 1.0(8) . . . . ?
Si1 C9 C14 C13 -171.7(5) . . . . ?
C5 C13 C14 C9 -0.6(8) . . . . ?
Ga1 C13 C14 C9 163.9(6) . . . . ?
C7 C2 C15 C20 -91.8(8) . . . . ?
C21 C2 C15 C20 85.8(8) . . . . ?
C7 C2 C15 C19 29.2(10) . . . . ?
C21 C2 C15 C19 -153.1(7) . . . . ?
C7 C2 C15 C16 147.2(7) . . . . ?
C21 C2 C15 C16 -35.1(9) . . . . ?
C7 C2 C21 C12 -2.9(10) . . . . ?
C15 C2 C21 C12 179.3(6) . . . . ?
C4 C12 C21 C2 1.6(10) . . . . ?
C8 C12 C21 C2 -178.7(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.666
_refine_diff_density_min         -0.369
_refine_diff_density_rms         0.068
