# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_WSC-1
_database_code_depnum_ccdc_archive 'CCDC 2012952'
loop_
_audit_author_name
_audit_author_address
Wang
;Soochow university
China
;
_audit_update_record             
;
2020-07-02 deposited with the CCDC.	2023-05-27 downloaded from the CCDC.
;
_audit_creation_date             2020-07-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H70 Ga24 N8 S40'
_chemical_formula_sum            'C40 H70 Ga24 N8 S40'
_chemical_formula_weight         3618.72
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           79
_space_group_name_H-M_alt        'I 4'
_space_group_name_Hall           'I 4'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'

_cell_length_a                   28.870(2)
_cell_length_b                   28.870(2)
_cell_length_c                   12.6517(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     10545.0(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9752
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.44
_cell_measurement_theta_min      2.25
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.420
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.140
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             3500
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0825
_diffrn_reflns_av_unetI/netI     0.0799
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            44737
_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         25.321
_diffrn_reflns_theta_min         1.757
_diffrn_ambient_temperature      119.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.906
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                5180
_reflns_number_total             9636
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.494
_refine_diff_density_min         -0.380
_refine_diff_density_rms         0.066
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.013(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         9636
_refine_ls_number_restraints     124
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0467
_refine_ls_restrained_S_all      0.998
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0833P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1301
_refine_ls_wR_factor_ref         0.1623
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C1-C5 = C1-C2 = C5-C4
 1.52 with sigma of 0.02
 C1-C4
 2.4 with sigma of 0.02
 C5-C2
 2.4 with sigma of 0.02
 N1-C1
 1.48 with sigma of 0.02
 C3-C2
 1.52 with sigma of 0.02
 C5-C3
 2.4 with sigma of 0.02
 C4-C3
 1.52 with sigma of 0.02
 C7-C9
 2.4 with sigma of 0.02
 C7-C6 = C8-C7 = C9-C8 = C10-C9 = C10-C6
 1.52 with sigma of 0.02
 C8-C6 = C10-C8
 2.4 with sigma of 0.02
 C6-C9
 2.4 with sigma of 0.02
 N2-C6
 1.48 with sigma of 0.02
 N2A-C6
 1.48 with sigma of 0.02
3. Rigid bond restraints
 C1, C5, C4, C3, C2
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 N1, C1, C5, C4, C3, C2
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C8, C6, C10, C7, C9
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C8, H8A, H8B, C6, C10, H10A, H10B, C7, H7A, H7B, C9, H9A, H9B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C6, N2, N2A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C6: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(N1) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C4) \\sim
Ueq, Uanis(C3) \\sim Ueq, Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C8) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C9) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N2) \\sim Ueq, Uanis(N2A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N2) = Uanis(N2A)
5. Others
 Fixed Sof: H6(0.5) N2(0.5) N2A(0.5)
6.a Ternary CH refined with riding coordinates:
 C1(H1), C6(H6)
6.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C4(H4A,H4B), C5(H5A,H5B), C3(H3A,H3B), C8(H8A,H8B), C10(H10A,
 H10B), C7(H7A,H7B), C9(H9A,H9B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Ga3 Ga 0.40804(6) 0.29408(6) 0.44865(9) 0.0922(5) Uani 1 1 d . . . . .
Ga2 Ga 0.47507(6) 0.27572(7) 0.22455(10) 0.1016(6) Uani 1 1 d . . . . .
Ga1 Ga 0.37554(7) 0.33820(6) 0.18999(10) 0.1041(6) Uani 1 1 d . . . . .
Ga4 Ga 0.52508(6) 0.29978(7) 0.48586(10) 0.1078(6) Uani 1 1 d . . . . .
Ga6 Ga 0.64009(6) 0.32457(7) 0.44932(10) 0.1057(6) Uani 1 1 d . . . . .
Ga5 Ga 0.58116(6) 0.28980(8) 0.22657(11) 0.1206(7) Uani 1 1 d . . . . .
S3 S 0.42889(14) 0.23547(15) 0.3379(3) 0.0985(11) Uani 1 1 d . . . . .
S6 S 0.45901(15) 0.30608(18) 0.5772(2) 0.1197(15) Uani 1 1 d . . . . .
S9 S 0.71310(15) 0.33568(15) 0.5079(3) 0.1094(14) Uani 1 1 d . . . . .
S4 S 0.53520(14) 0.2337(2) 0.1605(3) 0.139(2) Uani 1 1 d . . . . .
S2 S 0.43456(15) 0.31048(17) 0.0945(2) 0.1139(14) Uani 1 1 d . . . . .
S8 S 0.63584(16) 0.26268(17) 0.3394(3) 0.1180(15) Uani 1 1 d . . . . .
S7 S 0.58566(17) 0.3261(2) 0.5731(3) 0.1375(19) Uani 1 1 d . . . . .
S1 S 0.39546(17) 0.36327(14) 0.3539(2) 0.1071(13) Uani 1 1 d . . . . .
S5 S 0.52100(15) 0.32979(18) 0.3156(2) 0.1151(15) Uani 1 1 d . . . . .
S10 S 0.61041(16) 0.3357(2) 0.0984(3) 0.151(2) Uani 1 1 d . . . . .
N1 N 0.3356(4) 0.2812(4) 0.2228(8) 0.090(3) Uani 1 1 d D U . . .
C2 C 0.2689(7) 0.2293(6) 0.1937(15) 0.153(6) Uani 1 1 d D U . . .
H2A H 0.272339 0.227018 0.271397 0.184 Uiso 1 1 calc R . . . .
H2B H 0.235718 0.232344 0.175635 0.184 Uiso 1 1 calc R . . . .
C4 C 0.3253(9) 0.2043(7) 0.0542(19) 0.198(8) Uani 1 1 d D U . . .
H4A H 0.357592 0.199730 0.078062 0.238 Uiso 1 1 calc R . . . .
H4B H 0.320399 0.187383 -0.012950 0.238 Uiso 1 1 calc R . . . .
C5 C 0.3140(7) 0.2546(6) 0.0427(13) 0.140(5) Uani 1 1 d D U . . .
H5A H 0.289806 0.259430 -0.011773 0.168 Uiso 1 1 calc R . . . .
H5B H 0.341862 0.272624 0.022946 0.168 Uiso 1 1 calc R . . . .
C1 C 0.2967(6) 0.2686(6) 0.1498(14) 0.150(5) Uani 1 1 d D U . . .
H1 H 0.275987 0.296080 0.141624 0.180 Uiso 1 1 calc R . . . .
C3 C 0.2906(9) 0.1889(7) 0.1389(18) 0.188(8) Uani 1 1 d D U . . .
H3A H 0.266021 0.169913 0.105521 0.226 Uiso 1 1 calc R . . . .
H3B H 0.306682 0.169268 0.191590 0.226 Uiso 1 1 calc R . . . .
C8 C 0.5229(13) 0.1237(10) 0.498(3) 0.319(13) Uani 1 1 d D U . . .
H8A H 0.529411 0.091902 0.523230 0.383 Uiso 1 1 calc R U . . .
H8B H 0.512984 0.122358 0.423433 0.383 Uiso 1 1 calc R U . . .
C6 C 0.5478(10) 0.2010(7) 0.550(2) 0.231(9) Uani 1 1 d D U . . .
H6 H 0.573215 0.214321 0.594008 0.278 Uiso 0.5 1 calc R . P A 1
C10 C 0.5097(11) 0.1835(12) 0.628(3) 0.283(12) Uani 1 1 d D U . . .
H10A H 0.523663 0.170761 0.693554 0.340 Uiso 1 1 calc R U . . .
H10B H 0.487970 0.208694 0.647382 0.340 Uiso 1 1 calc R U . . .
C7 C 0.5649(8) 0.1539(11) 0.510(3) 0.263(11) Uani 1 1 d D U . . .
H7A H 0.580921 0.157376 0.441423 0.315 Uiso 1 1 calc R U . . .
H7B H 0.586803 0.140078 0.561490 0.315 Uiso 1 1 calc R U . . .
C9 C 0.4858(9) 0.1465(12) 0.566(3) 0.304(12) Uani 1 1 d D U . . .
H9A H 0.461226 0.160093 0.521290 0.364 Uiso 1 1 calc R U . . .
H9B H 0.471495 0.123505 0.614268 0.364 Uiso 1 1 calc R U . . .
N2 N 0.5355(18) 0.2382(13) 0.465(3) 0.091(7) Uani 0.5 1 d D U P B 1
N2A N 0.5308(18) 0.2271(13) 0.454(3) 0.091(7) Uani 0.5 1 d D U P B 2


_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
Ga3 S3 2.278(4) . ?
Ga3 S6 2.220(4) . ?
Ga3 S9 2.229(4) 4_565 ?
Ga3 S1 2.358(4) . ?
Ga2 S3 2.277(4) . ?
Ga2 S4 2.268(5) . ?
Ga2 S2 2.254(4) . ?
Ga2 S5 2.350(4) . ?
Ga1 S2 2.236(4) . ?
Ga1 S1 2.270(4) . ?
Ga1 S10 2.206(5) 4_565 ?
Ga1 N1 2.053(12) . ?
Ga4 S6 2.238(4) . ?
Ga4 S7 2.203(4) . ?
Ga4 S5 2.324(4) . ?
Ga4 N2 1.82(4) . ?
Ga4 N2A 2.14(4) . ?
Ga6 S9 2.257(4) . ?
Ga6 S8 2.267(5) . ?
Ga6 S7 2.219(4) . ?
Ga6 S1 2.378(5) 3_655 ?
Ga5 S4 2.255(5) . ?
Ga5 S8 2.268(5) . ?
Ga5 S5 2.371(5) . ?
Ga5 S10 2.258(5) . ?
N1 C1 1.499(17) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C1 1.496(19) . ?
C2 C3 1.495(19) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.497(18) . ?
C4 C3 1.53(2) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C1 1.499(18) . ?
C1 H1 1.0000 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C7 1.50(2) . ?
C8 C9 1.52(2) . ?
C6 H6 1.0000 . ?
C6 C10 1.57(2) . ?
C6 C7 1.53(2) . ?
C6 N2 1.56(3) . ?
C6 N2A 1.50(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C9 1.49(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?

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
S3 Ga3 S1 110.94(14) . . ?
S6 Ga3 S3 113.03(17) . . ?
S6 Ga3 S9 112.91(15) . 4_565 ?
S6 Ga3 S1 110.02(19) . . ?
S9 Ga3 S3 112.67(18) 4_565 . ?
S9 Ga3 S1 96.04(16) 4_565 . ?
S3 Ga2 S5 111.12(14) . . ?
S4 Ga2 S3 113.6(2) . . ?
S4 Ga2 S5 95.67(17) . . ?
S2 Ga2 S3 112.52(16) . . ?
S2 Ga2 S4 112.01(17) . . ?
S2 Ga2 S5 110.80(19) . . ?
S2 Ga1 S1 114.48(17) . . ?
S10 Ga1 S2 110.74(18) 4_565 . ?
S10 Ga1 S1 113.42(17) 4_565 . ?
N1 Ga1 S2 104.5(3) . . ?
N1 Ga1 S1 102.3(3) . . ?
N1 Ga1 S10 110.7(4) . 4_565 ?
S6 Ga4 S5 113.90(17) . . ?
S7 Ga4 S6 112.95(16) . . ?
S7 Ga4 S5 112.05(18) . . ?
N2 Ga4 S6 107.2(16) . . ?
N2 Ga4 S7 106.2(14) . . ?
N2 Ga4 S5 103.7(11) . . ?
N2A Ga4 S6 103.9(14) . . ?
N2A Ga4 S7 111.7(11) . . ?
N2A Ga4 S5 101.4(9) . . ?
S9 Ga6 S8 111.34(19) . . ?
S9 Ga6 S1 94.72(15) . 3_655 ?
S8 Ga6 S1 111.39(15) . 3_655 ?
S7 Ga6 S9 115.27(16) . . ?
S7 Ga6 S8 114.23(18) . . ?
S7 Ga6 S1 108.2(2) . 3_655 ?
S4 Ga5 S8 113.3(2) . . ?
S4 Ga5 S5 95.45(16) . . ?
S4 Ga5 S10 112.04(17) . . ?
S8 Ga5 S5 112.25(14) . . ?
S10 Ga5 S8 113.24(18) . . ?
S10 Ga5 S5 109.3(2) . . ?
Ga2 S3 Ga3 99.39(18) . . ?
Ga3 S6 Ga4 100.01(13) . . ?
Ga3 S9 Ga6 86.34(15) 3_655 . ?
Ga5 S4 Ga2 86.18(18) . . ?
Ga1 S2 Ga2 99.24(13) . . ?
Ga6 S8 Ga5 98.7(2) . . ?
Ga4 S7 Ga6 101.65(15) . . ?
Ga3 S1 Ga6 80.79(13) . 4_565 ?
Ga1 S1 Ga3 103.49(17) . . ?
Ga1 S1 Ga6 103.5(2) . 4_565 ?
Ga2 S5 Ga5 81.77(14) . . ?
Ga4 S5 Ga2 103.6(2) . . ?
Ga4 S5 Ga5 102.8(2) . . ?
Ga1 S10 Ga5 100.37(15) 3_655 . ?
C1 N1 Ga1 119.4(10) . . ?
H2A C2 H2B 109.3 . . ?
C1 C2 H2A 111.5 . . ?
C1 C2 H2B 111.5 . . ?
C3 C2 H2A 111.5 . . ?
C3 C2 H2B 111.5 . . ?
C3 C2 C1 101.3(15) . . ?
H4A C4 H4B 109.2 . . ?
C5 C4 H4A 111.4 . . ?
C5 C4 H4B 111.4 . . ?
C5 C4 C3 102.0(14) . . ?
C3 C4 H4A 111.4 . . ?
C3 C4 H4B 111.4 . . ?
C4 C5 H5A 110.9 . . ?
C4 C5 H5B 110.9 . . ?
C4 C5 C1 104.2(14) . . ?
H5A C5 H5B 108.9 . . ?
C1 C5 H5A 110.9 . . ?
C1 C5 H5B 110.9 . . ?
N1 C1 H1 108.6 . . ?
C2 C1 N1 110.9(16) . . ?
C2 C1 C5 108.1(14) . . ?
C2 C1 H1 108.6 . . ?
C5 C1 N1 112.0(14) . . ?
C5 C1 H1 108.6 . . ?
C2 C3 C4 111.7(15) . . ?
C2 C3 H3A 109.3 . . ?
C2 C3 H3B 109.3 . . ?
C4 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
H3A C3 H3B 107.9 . . ?
H8A C8 H8B 108.8 . . ?
C7 C8 H8A 110.7 . . ?
C7 C8 H8B 110.7 . . ?
C7 C8 C9 105.2(15) . . ?
C9 C8 H8A 110.7 . . ?
C9 C8 H8B 110.7 . . ?
C10 C6 H6 106.7 . . ?
C7 C6 H6 106.7 . . ?
C7 C6 C10 98.5(17) . . ?
C7 C6 N2 117(3) . . ?
N2 C6 H6 106.7 . . ?
N2 C6 C10 120(3) . . ?
N2A C6 C10 116(3) . . ?
N2A C6 C7 107(3) . . ?
C6 C10 H10A 111.2 . . ?
C6 C10 H10B 111.2 . . ?
H10A C10 H10B 109.1 . . ?
C9 C10 C6 102.8(17) . . ?
C9 C10 H10A 111.2 . . ?
C9 C10 H10B 111.2 . . ?
C8 C7 C6 106.7(16) . . ?
C8 C7 H7A 110.4 . . ?
C8 C7 H7B 110.4 . . ?
C6 C7 H7A 110.4 . . ?
C6 C7 H7B 110.4 . . ?
H7A C7 H7B 108.6 . . ?
C8 C9 H9A 110.5 . . ?
C8 C9 H9B 110.5 . . ?
C10 C9 C8 106.3(15) . . ?
C10 C9 H9A 110.5 . . ?
C10 C9 H9B 110.5 . . ?
H9A C9 H9B 108.7 . . ?
C6 N2 Ga4 127(3) . . ?
C6 N2A Ga4 111(2) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.307 -0.387 -0.348 6172.4 2934.2 ?

_olex2_submission_special_instructions 'No special instructions were received'
