# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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_mo_1_58_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2341967'
loop_
_audit_author_name
_audit_author_address
'Peng Gao'
;Fujian Institute of Research on the Structure of Matter
China
;
_audit_update_record             
;
2024-06-15 deposited with the CCDC.	2024-06-27 downloaded from the CCDC.
;
_audit_creation_date             2023-06-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Rb2AuAuI6
_chemical_formula_moiety         'Au0.5 I1.5 Rb0.5'
_chemical_formula_sum            'Au0.50 I1.50 Rb0.50'
_chemical_formula_weight         331.57
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 '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      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 1 2/m 1'
_space_group_name_Hall           '-C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   13.4470(15)
_cell_length_b                   7.8726(9)
_cell_length_c                   8.7665(9)
_cell_angle_alpha                90
_cell_angle_beta                 119.300(6)
_cell_angle_gamma                90
_cell_volume                     809.32(16)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3285
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.45
_cell_measurement_theta_min      2.66
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    35.482
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.4751
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1278 before and 0.0768 after correction.
The Ratio of minimum to maximum transmission is 0.6370.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    5.442
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             1100
_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  0.1043
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            12738
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.769
_diffrn_reflns_theta_min         2.664
_diffrn_ambient_temperature      200.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_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_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                909
_reflns_number_total             1130
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         3.261
_refine_diff_density_min         -1.998
_refine_diff_density_rms         0.439
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     30
_refine_ls_number_reflns         1130
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0341
_refine_ls_restrained_S_all      1.148
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0332P)²+22.9434P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0929
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_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
Au1 Au 0.500000 0.500000 0.500000 0.0270(2) Uani 1 4 d S T P . .
Au2 Au 0.500000 0.000000 0.000000 0.02153(19) Uani 1 4 d S T P . .
I1 I 0.28121(9) 0.500000 0.35331(15) 0.0344(3) Uani 1 2 d S T P . .
I2 I 0.46154(7) 0.23572(9) 0.17917(11) 0.0345(2) Uani 1 1 d . . . . .
Rb1 Rb 0.26906(17) 0.500000 0.7648(3) 0.0443(4) Uani 1 2 d S T P . .


_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
Au1 I1 2.5703(11) 5_666 ?
Au1 I1 2.5703(11) . ?
Au2 I2 2.6407(7) 2_655 ?
Au2 I2 2.6407(7) 6 ?
Au2 I2 2.6407(7) 5_655 ?
Au2 I2 2.6407(7) . ?
I1 Rb1 3.690(2) . ?
I1 Rb1 4.0421(7) 7_556 ?
I1 Rb1 4.0421(7) 7_566 ?
I2 Rb1 3.8459(17) 7_556 ?
I2 Rb1 3.9940(17) 5_666 ?
I2 Rb1 3.876(2) 1_554 ?

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
I1 Au1 I1 180.0 5_666 . ?
I2 Au2 I2 89.29(3) 6 . ?
I2 Au2 I2 180.00(4) 6 2_655 ?
I2 Au2 I2 90.71(3) 5_655 6 ?
I2 Au2 I2 90.71(3) 2_655 . ?
I2 Au2 I2 89.29(3) 5_655 2_655 ?
I2 Au2 I2 180.00(4) 5_655 . ?
Au1 I1 Rb1 97.77(3) . 7_556 ?
Au1 I1 Rb1 97.77(3) . 7_566 ?
Au1 I1 Rb1 95.64(5) . . ?
Rb1 I1 Rb1 99.70(3) . 7_566 ?
Rb1 I1 Rb1 99.70(3) . 7_556 ?
Rb1 I1 Rb1 153.73(6) 7_556 7_566 ?
Au2 I2 Rb1 98.15(3) . 7_556 ?
Au2 I2 Rb1 90.53(3) . 5_666 ?
Au2 I2 Rb1 93.16(3) . 1_554 ?
Rb1 I2 Rb1 167.19(6) 7_556 5_666 ?
Rb1 I2 Rb1 99.69(3) 7_556 1_554 ?
Rb1 I2 Rb1 89.15(5) 1_554 5_666 ?
I1 Rb1 I1 153.73(6) 7_556 7_566 ?
I1 Rb1 I1 80.30(3) . 7_566 ?
I1 Rb1 I1 80.30(3) . 7_556 ?
I1 Rb1 I2 125.98(4) . 1_556 ?
I1 Rb1 I2 123.30(5) . 7_556 ?
I1 Rb1 I2 69.44(3) . 5_666 ?
I1 Rb1 I2 123.30(5) . 4_556 ?
I1 Rb1 I2 125.98(4) . 6_566 ?
I1 Rb1 I2 69.44(3) . 2_656 ?
I2 Rb1 I1 124.52(4) 2_656 7_566 ?
I2 Rb1 I1 61.22(2) 4_556 7_566 ?
I2 Rb1 I1 63.39(2) 5_666 7_566 ?
I2 Rb1 I1 61.22(2) 7_556 7_556 ?
I2 Rb1 I1 135.57(5) 1_556 7_566 ?
I2 Rb1 I1 117.28(4) 4_556 7_556 ?
I2 Rb1 I1 117.28(4) 7_556 7_566 ?
I2 Rb1 I1 135.57(5) 6_566 7_556 ?
I2 Rb1 I1 70.64(2) 6_566 7_566 ?
I2 Rb1 I1 70.64(2) 1_556 7_556 ?
I2 Rb1 I1 124.52(4) 5_666 7_556 ?
I2 Rb1 I1 63.39(2) 2_656 7_556 ?
I2 Rb1 I2 110.47(5) 4_556 1_556 ?
I2 Rb1 I2 80.31(3) 4_556 6_566 ?
I2 Rb1 I2 62.79(3) 5_666 2_656 ?
I2 Rb1 I2 110.47(5) 7_556 6_566 ?
I2 Rb1 I2 90.85(5) 6_566 2_656 ?
I2 Rb1 I2 167.19(6) 7_556 5_666 ?
I2 Rb1 I2 80.31(3) 7_556 1_556 ?
I2 Rb1 I2 118.191(14) 4_556 5_666 ?
I2 Rb1 I2 167.19(6) 4_556 2_656 ?
I2 Rb1 I2 57.02(3) 6_566 5_666 ?
I2 Rb1 I2 57.02(3) 1_556 2_656 ?
I2 Rb1 I2 90.85(5) 1_556 5_666 ?
I2 Rb1 I2 64.94(4) 6_566 1_556 ?
I2 Rb1 I2 57.70(3) 7_556 4_556 ?
I2 Rb1 I2 118.191(14) 7_556 2_656 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_mo_lc2_4_0ma
_database_code_depnum_ccdc_archive 'CCDC 2363017'
loop_
_audit_author_name
_audit_author_address
'Peng Gao'
;Fujian Institute of Research on the Structure of Matter
China
;
_audit_update_record             
;
2024-06-15 deposited with the CCDC.	2024-06-27 downloaded from the CCDC.
;
_audit_creation_date             2023-12-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        RbAuCl4
_chemical_formula_moiety         'Au Cl4 Rb'
_chemical_formula_sum            'Au Cl4 Rb'
_chemical_formula_weight         424.24
_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
Au Au -2.0133 8.8022 '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'
Rb Rb -0.9393 2.9676 '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      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   9.7902(9)
_cell_length_b                   5.8525(5)
_cell_length_c                   7.0584(8)
_cell_angle_alpha                90
_cell_angle_beta                 120.794(4)
_cell_angle_gamma                90
_cell_volume                     347.41(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3957
_cell_measurement_temperature    200.00
_cell_measurement_theta_max      31.01
_cell_measurement_theta_min      3.36
_shelx_estimated_absorpt_T_max   0.156
_shelx_estimated_absorpt_T_min   0.156
_exptl_absorpt_coefficient_mu    29.540
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.4639
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1290 before and 0.0762 after correction.
The Ratio of minimum to maximum transmission is 0.6217.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic yellowish yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    4.056
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             368
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0627
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5475
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.070
_diffrn_reflns_theta_min         3.360
_diffrn_ambient_temperature      200.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_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_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.836
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.992
_reflns_number_gt                1107
_reflns_number_total             1118
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.522
_refine_diff_density_min         -1.995
_refine_diff_density_rms         0.341
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.52(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     30
_refine_ls_number_reflns         1118
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0340
_refine_ls_R_factor_gt           0.0326
_refine_ls_restrained_S_all      1.173
_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)+(0.0097P)²+10.5031P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0798
_refine_ls_wR_factor_ref         0.0806
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.48(3)
 0.52(3)
;
_atom_sites_solution_hydrogens   .
_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
Au1 Au 0.500000 0.40541(2) 0.500000 0.01955(17) Uani 1 2 d S T P . .
Rb3 Rb 0.500000 0.9069(19) 0.000000 0.0328(4) Uani 1 2 d S T P . .
Cl1 Cl 0.3355(5) 0.1089(8) 0.4621(7) 0.0323(9) Uani 1 1 d . . . . .
Cl2 Cl 0.3832(3) 0.405(3) 0.1254(5) 0.0297(7) Uani 1 1 d . . . . .


_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
Au1 Rb3 4.3277(4) 3_445 ?
Au1 Rb3 4.3277(4) 3_546 ?
Au1 Cl1 2.288(4) 2_656 ?
Au1 Cl1 2.288(4) . ?
Au1 Cl2 2.281(3) 2_656 ?
Au1 Cl2 2.281(3) . ?
Rb3 Cl1 3.674(8) 4 ?
Rb3 Cl1 3.485(6) 1_564 ?
Rb3 Cl1 3.485(6) 2_666 ?
Rb3 Cl1 3.674(8) 3 ?
Rb3 Cl2 3.43(2) 2_655 ?
Rb3 Cl2 3.41(2) 1_565 ?
Rb3 Cl2 3.41(2) 2_665 ?
Rb3 Cl2 3.43(2) . ?
Rb3 Cl2 3.385(3) 4 ?
Rb3 Cl2 3.385(3) 3 ?

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
Rb3 Au1 Rb3 179.8(3) 3_546 3_445 ?
Cl1 Au1 Rb3 58.11(19) . 3_445 ?
Cl1 Au1 Rb3 58.11(19) 2_656 3_546 ?
Cl1 Au1 Rb3 122.10(16) 2_656 3_445 ?
Cl1 Au1 Rb3 122.10(16) . 3_546 ?
Cl1 Au1 Cl1 81.3(2) 2_656 . ?
Cl2 Au1 Rb3 50.81(7) . 3_445 ?
Cl2 Au1 Rb3 129.19(7) . 3_546 ?
Cl2 Au1 Rb3 50.81(7) 2_656 3_546 ?
Cl2 Au1 Rb3 129.19(7) 2_656 3_445 ?
Cl2 Au1 Cl1 92.3(3) . 2_656 ?
Cl2 Au1 Cl1 92.3(3) 2_656 . ?
Cl2 Au1 Cl1 87.6(3) 2_656 2_656 ?
Cl2 Au1 Cl1 87.6(3) . . ?
Cl2 Au1 Cl2 179.8(8) . 2_656 ?
Au1 Rb3 Au1 179.8(3) 3_454 3 ?
Cl1 Rb3 Au1 126.01(13) 2_666 3_454 ?
Cl1 Rb3 Au1 54.08(7) 1_564 3_454 ?
Cl1 Rb3 Au1 147.9(3) 3 3_454 ?
Cl1 Rb3 Au1 31.92(6) 3 3 ?
Cl1 Rb3 Au1 31.92(6) 4 3_454 ?
Cl1 Rb3 Au1 147.9(3) 4 3 ?
Cl1 Rb3 Au1 126.01(13) 1_564 3 ?
Cl1 Rb3 Au1 54.08(7) 2_666 3 ?
Cl1 Rb3 Cl1 140.3(4) 2_666 1_564 ?
Cl1 Rb3 Cl1 123.3(4) 4 3 ?
Cl1 Rb3 Cl1 146.37(17) 1_564 3 ?
Cl1 Rb3 Cl1 146.37(17) 2_666 4 ?
Cl1 Rb3 Cl1 59.30(7) 1_564 4 ?
Cl1 Rb3 Cl1 59.30(7) 2_666 3 ?
Cl2 Rb3 Au1 100.1(2) . 3 ?
Cl2 Rb3 Au1 79.84(10) 2_665 3 ?
Cl2 Rb3 Au1 148.51(5) 4 3 ?
Cl2 Rb3 Au1 148.51(5) 3 3_454 ?
Cl2 Rb3 Au1 79.71(9) 2_655 3 ?
Cl2 Rb3 Au1 100.36(19) 2_665 3_454 ?
Cl2 Rb3 Au1 31.49(5) 3 3 ?
Cl2 Rb3 Au1 79.84(10) 1_565 3_454 ?
Cl2 Rb3 Au1 100.36(19) 1_565 3 ?
Cl2 Rb3 Au1 100.1(2) 2_655 3_454 ?
Cl2 Rb3 Au1 79.71(9) . 3_454 ?
Cl2 Rb3 Au1 31.49(5) 4 3_454 ?
Cl2 Rb3 Cl1 87.9(3) 1_565 1_564 ?
Cl2 Rb3 Cl1 68.2(2) . 3 ?
Cl2 Rb3 Cl1 53.0(2) 3 3 ?
Cl2 Rb3 Cl1 53.0(2) 4 4 ?
Cl2 Rb3 Cl1 83.36(14) 4 1_564 ?
Cl2 Rb3 Cl1 116.20(14) 2_665 4 ?
Cl2 Rb3 Cl1 116.20(14) 1_565 3 ?
Cl2 Rb3 Cl1 87.9(3) 2_665 2_666 ?
Cl2 Rb3 Cl1 92.22(14) . 2_666 ?
Cl2 Rb3 Cl1 57.07(15) 1_565 2_666 ?
Cl2 Rb3 Cl1 96.79(18) 3 1_564 ?
Cl2 Rb3 Cl1 92.22(14) 2_655 1_564 ?
Cl2 Rb3 Cl1 111.71(13) 2_665 3 ?
Cl2 Rb3 Cl1 122.9(2) . 1_564 ?
Cl2 Rb3 Cl1 63.75(19) 2_655 3 ?
Cl2 Rb3 Cl1 126.7(3) 4 3 ?
Cl2 Rb3 Cl1 57.07(15) 2_665 1_564 ?
Cl2 Rb3 Cl1 122.9(2) 2_655 2_666 ?
Cl2 Rb3 Cl1 96.79(18) 4 2_666 ?
Cl2 Rb3 Cl1 111.71(13) 1_565 4 ?
Cl2 Rb3 Cl1 83.36(14) 3 2_666 ?
Cl2 Rb3 Cl1 68.2(2) 2_655 4 ?
Cl2 Rb3 Cl1 63.75(19) . 4 ?
Cl2 Rb3 Cl1 126.7(3) 3 4 ?
Cl2 Rb3 Cl2 114.2(5) 3 1_565 ?
Cl2 Rb3 Cl2 179.8(4) 2_665 . ?
Cl2 Rb3 Cl2 114.2(5) 4 2_665 ?
Cl2 Rb3 Cl2 62.5(5) 2_665 1_565 ?
Cl2 Rb3 Cl2 66.2(2) 4 1_565 ?
Cl2 Rb3 Cl2 113.6(6) 4 2_655 ?
Cl2 Rb3 Cl2 113.6(6) 3 . ?
Cl2 Rb3 Cl2 66.0(2) 3 2_655 ?
Cl2 Rb3 Cl2 117.70(8) 1_565 . ?
Cl2 Rb3 Cl2 117.70(8) 2_665 2_655 ?
Cl2 Rb3 Cl2 179.6(8) 4 3 ?
Cl2 Rb3 Cl2 179.8(4) 1_565 2_655 ?
Cl2 Rb3 Cl2 66.2(2) 3 2_665 ?
Cl2 Rb3 Cl2 66.0(2) 4 . ?
Cl2 Rb3 Cl2 62.1(4) 2_655 . ?
Au1 Cl1 Rb3 103.0(2) . 1_546 ?
Au1 Cl1 Rb3 90.0(2) . 3_445 ?
Rb3 Cl1 Rb3 146.37(17) 1_546 3_445 ?
Au1 Cl2 Rb3 97.70(9) . 3_445 ?
Au1 Cl2 Rb3 105.2(4) . . ?
Au1 Cl2 Rb3 105.5(5) . 1_545 ?
Rb3 Cl2 Rb3 117.70(8) 1_545 . ?
Rb3 Cl2 Rb3 114.2(5) 3_445 1_545 ?
Rb3 Cl2 Rb3 113.6(6) 3_445 . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.48(3)
2 0.52(3)

