# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 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_Na-1a
_database_code_depnum_ccdc_archive 'CCDC 2221906'
loop_
_audit_author_name
_audit_author_address
'Jiayao Zhang'
;Jacobs University
Germany
;
_audit_update_record             
;
2023-03-22 deposited with the CCDC.	2023-04-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H36 As6 Au3 Cl N Na3 O27 Pt2'
_chemical_formula_weight         2161.44

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
N N 0.0061 0.0033 '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'

_space_group_crystal_system      hexagonal
_space_group_IT_number           176
_space_group_name_H-M_alt        'P 63/m'
_space_group_name_Hall           '-P 6c'

_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.
;

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

_cell_length_a                   10.9156(7)
_cell_length_b                   10.9156(7)
_cell_length_c                   26.8948(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2775.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1944
_cell_measurement_theta_min      3.719
_cell_measurement_theta_max      26.382

_exptl_crystal_description       Prismatic
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.587
_exptl_crystal_F_000             1944
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.262
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    16.612
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.047
_exptl_absorpt_correction_T_max  0.115
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36290
_diffrn_reflns_av_unetI/netI     0.0244
_diffrn_reflns_av_R_equivalents  0.0735
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         3.719
_diffrn_reflns_theta_max         26.382
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             1944
_reflns_number_gt                1707
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0537P)²+9.1816P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1944
_refine_ls_number_parameters     98
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0274
_refine_ls_wR_factor_ref         0.0723
_refine_ls_wR_factor_gt          0.0685
_refine_ls_goodness_of_fit_ref   0.891
_refine_ls_restrained_S_all      0.891
_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_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
Au Au -0.15702(4) 0.56058(4) 0.250000 0.02126(16) Uani 0.929(2) 2 d S T P A 1
Au' Au -0.1081(5) 0.5144(6) 0.250000 0.0261(19) Uani 0.071(2) 2 d S T P A 2
Pt Pt -0.333333 0.333333 0.34143(2) 0.02082(13) Uani 1 3 d S T P A .
As As -0.05271(6) 0.63103(6) 0.36329(2) 0.02671(16) Uani 1 1 d . . . . .
Cl Cl 0.333333 0.666667 0.250000 0.0355(8) Uani 1 6 d S T P . .
Na Na 0.1711(4) 0.8190(4) 0.250000 0.0380(9) Uani 1 2 d S T P A .
N N 0.000000 1.000000 0.250000 0.038(3) Uani 1 6 d S T P A .
O1 O -0.2993(5) 0.5001(4) 0.30324(15) 0.0288(9) Uani 1 1 d . . . . .
C1 C 0.1198(7) 0.6955(8) 0.3981(3) 0.0409(17) Uani 1 1 d . . . . .
H1A H 0.103560 0.697207 0.433152 0.061 Uiso 1 1 calc R U . . .
H1B H 0.187251 0.789146 0.387120 0.061 Uiso 1 1 calc R U . . .
H1C H 0.155968 0.632937 0.391800 0.061 Uiso 1 1 calc R U . . .
O2 O -0.1629(4) 0.4640(5) 0.38443(16) 0.0323(10) Uani 1 1 d . . . . .
C2 C -0.1275(9) 0.7552(8) 0.3751(3) 0.0445(17) Uani 1 1 d . . . . .
H2A H -0.222345 0.701350 0.387599 0.067 Uiso 1 1 calc R U . . .
H2B H -0.128041 0.800345 0.344515 0.067 Uiso 1 1 calc R U . . .
H2C H -0.069472 0.825807 0.399026 0.067 Uiso 1 1 calc R U . . .
O3 O -0.0047(4) 0.6416(4) 0.30234(15) 0.0295(9) Uani 1 1 d . . . . .
O4 O 0.1185(8) 1.0033(9) 0.250000 0.057(2) Uani 1 2 d S T P . .
O5 O 0.3361(5) 0.9179(5) 0.31386(19) 0.0382(11) 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
Au O1 1.968(4) . ?
Au O1 1.968(4) 12_556 ?
Au O3 2.015(4) 12_556 ?
Au O3 2.015(4) . ?
Au' O3 1.902(5) 12_556 ?
Au' O3 1.902(5) . ?
Au' O1 2.471(7) . ?
Au' O1 2.471(7) 12_556 ?
Au' O1 2.492(6) 8_456 ?
Au' O1 2.492(6) 5_455 ?
Pt O1 1.957(4) 5_455 ?
Pt O1 1.957(4) 4_565 ?
Pt O1 1.957(4) . ?
Pt O2 2.044(4) 5_455 ?
Pt O2 2.044(4) 4_565 ?
Pt O2 2.044(4) . ?
As O2 1.703(4) . ?
As O3 1.707(4) . ?
As C1 1.896(7) . ?
As C2 1.927(7) . ?
Cl Na 2.974(4) 8_566 ?
Cl Na 2.974(4) 9_666 ?
Cl Na 2.974(4) . ?
Na O5 2.327(6) . ?
Na O5 2.327(6) 12_556 ?
Na O4 2.352(10) . ?
Na O3 2.387(5) 12_556 ?
Na O3 2.387(5) . ?
N O4 1.275(8) 8_466 ?
N O4 1.275(8) 9_676 ?
N O4 1.275(8) . ?

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
O1 Au O1 93.4(3) . 12_556 ?
O1 Au O3 174.55(17) . 12_556 ?
O1 Au O3 88.78(18) 12_556 12_556 ?
O1 Au O3 88.78(18) . . ?
O1 Au O3 174.55(17) 12_556 . ?
O3 Au O3 88.6(2) 12_556 . ?
O3 Au' O3 95.5(3) 12_556 . ?
O3 Au' O1 130.5(4) 12_556 . ?
O3 Au' O1 78.0(2) . . ?
O3 Au' O1 78.0(2) 12_556 12_556 ?
O3 Au' O1 130.5(4) . 12_556 ?
O1 Au' O1 70.8(3) . 12_556 ?
O3 Au' O1 94.34(19) 12_556 8_456 ?
O3 Au' O1 157.8(4) . 8_456 ?
O1 Au' O1 110.0(2) . 8_456 ?
O1 Au' O1 71.1(2) 12_556 8_456 ?
O3 Au' O1 157.8(4) 12_556 5_455 ?
O3 Au' O1 94.33(19) . 5_455 ?
O1 Au' O1 71.1(2) . 5_455 ?
O1 Au' O1 110.0(2) 12_556 5_455 ?
O1 Au' O1 70.1(2) 8_456 5_455 ?
O1 Pt O1 94.98(16) 5_455 4_565 ?
O1 Pt O1 94.97(16) 5_455 . ?
O1 Pt O1 94.97(16) 4_565 . ?
O1 Pt O2 87.97(18) 5_455 5_455 ?
O1 Pt O2 85.85(18) 4_565 5_455 ?
O1 Pt O2 176.85(17) . 5_455 ?
O1 Pt O2 176.85(17) 5_455 4_565 ?
O1 Pt O2 87.97(18) 4_565 4_565 ?
O1 Pt O2 85.85(18) . 4_565 ?
O2 Pt O2 91.14(17) 5_455 4_565 ?
O1 Pt O2 85.85(18) 5_455 . ?
O1 Pt O2 176.85(17) 4_565 . ?
O1 Pt O2 87.98(18) . . ?
O2 Pt O2 91.14(17) 5_455 . ?
O2 Pt O2 91.14(17) 4_565 . ?
O2 As O3 114.9(2) . . ?
O2 As C1 105.7(3) . . ?
O3 As C1 103.6(3) . . ?
O2 As C2 112.2(3) . . ?
O3 As C2 109.5(3) . . ?
C1 As C2 110.4(3) . . ?
Na Cl Na 120.0 8_566 9_666 ?
Na Cl Na 120.000(1) 8_566 . ?
Na Cl Na 120.000(1) 9_666 . ?
O5 Na O5 95.1(3) . 12_556 ?
O5 Na O4 93.8(2) . . ?
O5 Na O4 93.8(2) 12_556 . ?
O5 Na O3 159.0(2) . 12_556 ?
O5 Na O3 93.60(16) 12_556 12_556 ?
O4 Na O3 104.7(2) . 12_556 ?
O5 Na O3 93.60(16) . . ?
O5 Na O3 159.0(2) 12_556 . ?
O4 Na O3 104.7(2) . . ?
O3 Na O3 72.3(2) 12_556 . ?
O5 Na Cl 73.76(16) . . ?
O5 Na Cl 73.76(16) 12_556 . ?
O4 Na Cl 161.2(2) . . ?
O3 Na Cl 90.46(16) 12_556 . ?
O3 Na Cl 90.46(16) . . ?
O4 N O4 120.000(7) 8_466 9_676 ?
O4 N O4 120.0 8_466 . ?
O4 N O4 120.000(3) 9_676 . ?
Pt O1 Au 116.4(2) . . ?
Pt O1 Au' 97.2(2) . . ?
Pt O1 Au' 96.5(2) . 9_566 ?
Au O1 Au' 97.80(18) . 9_566 ?
Au' O1 Au' 103.9(2) . 9_566 ?
As O2 Pt 117.9(2) . . ?
As O3 Au' 127.7(3) . . ?
As O3 Au 118.9(2) . . ?
As O3 Na 135.7(2) . . ?
Au' O3 Na 95.7(2) . . ?
Au O3 Na 95.52(17) . . ?
N O4 Na 130.8(5) . . ?

_refine_diff_density_max         1.407
_refine_diff_density_min         -1.045
_refine_diff_density_rms         0.176




####################################################################### 
# 
# 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_Na-1
_database_code_depnum_ccdc_archive 'CCDC 2249169'
loop_
_audit_author_name
_audit_author_address
'Jiayao Zhang'
;Jacobs University
Germany
;
_audit_update_record             
;
2023-03-22 deposited with the CCDC.	2023-04-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H36 As6 Au3 Cl N Na3 O27 Pt2'
_chemical_formula_weight         2161.44

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
N N 0.0061 0.0033 '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'

_space_group_crystal_system      hexagonal
_space_group_IT_number           174
_space_group_name_H-M_alt        'P -6'
_space_group_name_Hall           'P -6'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+y, -x, -z'
'-y, x-y, -z'
'-y, x-y, z'
'-x+y, -x, z'
'x, y, -z'

_cell_length_a                   10.933(3)
_cell_length_b                   10.933(3)
_cell_length_c                   20.585(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2130.9(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2531
_cell_measurement_theta_min      3.667
_cell_measurement_theta_max      24.850

_exptl_crystal_description       Hexagonal
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_F_000             972
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.115
_exptl_crystal_size_mid          0.076
_exptl_crystal_size_min          0.034
_exptl_absorpt_coefficient_mu    10.817
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.388
_exptl_absorpt_correction_T_max  0.692
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22878
_diffrn_reflns_av_unetI/netI     0.0589
_diffrn_reflns_av_R_equivalents  0.1073
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.667
_diffrn_reflns_theta_max         24.850
_diffrn_reflns_theta_full        24.850
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             2531
_reflns_number_gt                2230
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.982
_reflns_Friedel_fraction_max     0.993
_reflns_Friedel_fraction_full    0.993

_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0889P)²+83.1903P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.49(4)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         2531
_refine_ls_number_parameters     84
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0606
_refine_ls_wR_factor_ref         0.1632
_refine_ls_wR_factor_gt          0.1538
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.055
_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_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
Au Au 0.43891(17) 0.15745(17) 1.000000 0.0225(5) Uani 1 2 d S T P . .
Pt Pt 0.666667 0.333333 0.88014(10) 0.0156(5) Uani 1 3 d S T P . .
As As 0.6854(4) 0.6297(3) 0.85152(18) 0.0235(8) Uani 1 1 d D . . . .
C1 C 0.588(4) 0.695(5) 0.797(2) 0.057(9) Uani 1 1 d D U . . .
H1A H 0.613871 0.789404 0.809565 0.085 Uiso 1 1 calc R U . . .
H1B H 0.614130 0.693860 0.752840 0.085 Uiso 1 1 calc R U . . .
H1C H 0.488351 0.634128 0.802338 0.085 Uiso 1 1 calc R U . . .
C2 C 0.8825(17) 0.760(4) 0.849(3) 0.057(9) Uani 1 1 d D U . . .
H2A H 0.901135 0.847860 0.867680 0.085 Uiso 1 1 calc R U . . .
H2B H 0.931214 0.722375 0.873848 0.085 Uiso 1 1 calc R U . . .
H2C H 0.914801 0.773984 0.805048 0.085 Uiso 1 1 calc R U . . .
Cl Cl 0.333333 0.666667 1.000000 0.040(6) Uani 1 6 d S T P . .
N N 1.000000 1.000000 1.000000 0.058(10) Uani 1 6 d S TU P . .
Na Na 0.652(2) 0.823(2) 1.000000 0.033(5) Uani 1 2 d S TU P . .
O1 O 0.625(3) 0.466(3) 0.8217(14) 0.034(6) Uani 1 1 d . U . . .
O2 O 0.501(3) 0.304(2) 0.9334(12) 0.026(5) Uani 1 1 d . U . . .
O3 O 0.648(2) 0.641(2) 0.9360(13) 0.028(5) Uani 1 1 d . U . . .
O4 O 0.899(5) 1.009(5) 1.000000 0.057(12) Uani 1 2 d S TU P . .
O5 O 0.577(3) 0.914(3) 0.9160(14) 0.041(7) Uani 1 1 d . U . . .


_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
Au O3 1.94(2) 4_655 ?
Au O3 1.94(2) 3_657 ?
Au O2 1.95(2) . ?
Au O2 1.95(2) 6_557 ?
Pt O2 2.00(2) 4_655 ?
Pt O2 2.00(2) 5_665 ?
Pt O2 2.00(2) . ?
Pt O1 2.10(3) 5_665 ?
Pt O1 2.10(3) . ?
Pt O1 2.10(3) 4_655 ?
As O1 1.69(3) . ?
As O3 1.80(3) . ?
As C2 1.898(15) . ?
As C1 1.905(15) . ?
Cl Na 3.02(2) 3_667 ?
Cl Na 3.02(2) . ?
Cl Na 3.02(2) 2_567 ?
N O4 1.16(5) 3_767 ?
N O4 1.16(5) . ?
N O4 1.16(5) 2_677 ?
Na O5 2.34(3) 6_557 ?
Na O5 2.34(3) . ?
Na O3 2.36(3) 6_557 ?
Na O3 2.36(3) . ?
Na O4 2.43(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
O3 Au O3 85.5(15) 4_655 3_657 ?
O3 Au O2 92.4(10) 4_655 . ?
O3 Au O2 174.7(11) 3_657 . ?
O3 Au O2 174.7(11) 4_655 6_557 ?
O3 Au O2 92.4(10) 3_657 6_557 ?
O2 Au O2 89.2(14) . 6_557 ?
O2 Pt O2 92.7(10) 4_655 5_665 ?
O2 Pt O2 92.7(10) 4_655 . ?
O2 Pt O2 92.7(10) 5_665 . ?
O2 Pt O1 90.6(10) 4_655 5_665 ?
O2 Pt O1 86.4(10) 5_665 5_665 ?
O2 Pt O1 176.6(10) . 5_665 ?
O2 Pt O1 176.6(10) 4_655 . ?
O2 Pt O1 90.6(10) 5_665 . ?
O2 Pt O1 86.4(10) . . ?
O1 Pt O1 90.3(11) 5_665 . ?
O2 Pt O1 86.4(10) 4_655 4_655 ?
O2 Pt O1 176.6(10) 5_665 4_655 ?
O2 Pt O1 90.6(10) . 4_655 ?
O1 Pt O1 90.3(11) 5_665 4_655 ?
O1 Pt O1 90.3(11) . 4_655 ?
O1 As O3 116.3(12) . . ?
O1 As C2 118.6(18) . . ?
O3 As C2 100.5(19) . . ?
O1 As C1 101.0(18) . . ?
O3 As C1 110.5(18) . . ?
C2 As C1 110.0(15) . . ?
Na Cl Na 120.000(7) 3_667 . ?
Na Cl Na 120.000(6) 3_667 2_567 ?
Na Cl Na 120.000(3) . 2_567 ?
O4 N O4 120.00(10) 3_767 . ?
O4 N O4 120.00(4) 3_767 2_677 ?
O4 N O4 120.00(4) . 2_677 ?
O5 Na O5 95.0(15) 6_557 . ?
O5 Na O3 94.8(9) 6_557 6_557 ?
O5 Na O3 155.0(13) . 6_557 ?
O5 Na O3 155.0(13) 6_557 . ?
O5 Na O3 94.8(9) . . ?
O3 Na O3 67.8(13) 6_557 . ?
O5 Na O4 97.0(12) 6_557 . ?
O5 Na O4 97.0(12) . . ?
O3 Na O4 104.5(12) 6_557 . ?
O3 Na O4 104.5(12) . . ?
O5 Na Cl 71.8(9) 6_557 . ?
O5 Na Cl 71.8(9) . . ?
O3 Na Cl 89.6(9) 6_557 . ?
O3 Na Cl 89.6(9) . . ?
O4 Na Cl 162.9(13) . . ?
As O1 Pt 114.9(15) . . ?
Au O2 Pt 115.9(11) . . ?
As O3 Au 117.9(13) . 2_667 ?
As O3 Na 133.2(12) . . ?
Au O3 Na 98.9(11) 2_667 . ?
N O4 Na 130(3) . . ?

_refine_diff_density_max         5.723
_refine_diff_density_min         -3.135
_refine_diff_density_rms         0.376




# start Validation Reply Form
_vrf_PLAT971_Na-1                
;
PROBLEM: Check Calcd Resid. Dens.  1.03Ang From Au              5.79 eA-3  
RESPONSE: This is a result of strong X-ray absorption due to the presence
of heavy elements and poor data quality (low intensity to noise ratio)
due to low single crystallinity. This does not have any chemical 
significance.
;
_vrf_PLAT972_Na-1                
;
PROBLEM: Check Calcd Resid. Dens.  0.66Ang From Au             -3.23 eA-3  
RESPONSE: This is a result of strong X-ray absorption due to the presence
of heavy elements and poor data quality (low intensity to noise ratio)
due to low single crystallinity. This does not have any chemical 
significance.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_K-1
_database_code_depnum_ccdc_archive 'CCDC 2221907'
loop_
_audit_author_name
_audit_author_address
'Jiayao Zhang'
;Jacobs University
Germany
;
_audit_update_record             
;
2023-04-07 deposited with the CCDC.	2023-04-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H64 As7 Au3 Cl K3 O31 Pt2'
_chemical_formula_weight         2386.92

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
K K 0.2009 0.2494 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.5559(16)
_cell_length_b                   14.1105(16)
_cell_length_c                   16.6726(19)
_cell_angle_alpha                75.614(3)
_cell_angle_beta                 66.913(3)
_cell_angle_gamma                85.534(3)
_cell_volume                     2841.1(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    10846
_cell_measurement_theta_min      2.970
_cell_measurement_theta_max      25.790

_exptl_crystal_description       Block
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.790
_exptl_crystal_F_000             2188
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.073
_exptl_crystal_size_mid          0.035
_exptl_crystal_size_min          0.016
_exptl_absorpt_coefficient_mu    17.013
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.494
_exptl_absorpt_correction_T_max  0.762
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33904
_diffrn_reflns_av_unetI/netI     0.0970
_diffrn_reflns_av_R_equivalents  0.0896
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.970
_diffrn_reflns_theta_max         25.790
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             10846
_reflns_number_gt                7702
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0500P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10846
_refine_ls_number_parameters     632
_refine_ls_number_restraints     33
_refine_ls_R_factor_all          0.0785
_refine_ls_R_factor_gt           0.0490
_refine_ls_wR_factor_ref         0.1212
_refine_ls_wR_factor_gt          0.1077
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_restrained_S_all      0.967
_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_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 0.91524(4) 0.37382(4) 0.71182(3) 0.02353(13) Uani 1 1 d . . . . .
Au2 Au 0.81471(4) 0.37218(4) 0.96588(3) 0.02379(13) Uani 1 1 d . . . . .
Au3 Au 0.60302(4) 0.37956(4) 0.85685(3) 0.02347(13) Uani 1 1 d . . . . .
Pt1 Pt 0.77025(4) 0.19490(4) 0.88141(3) 0.02304(13) Uani 1 1 d . . . . .
Pt2 Pt 0.78693(4) 0.55419(4) 0.80439(3) 0.02320(13) Uani 1 1 d . . . . .
As1 As 0.6109(2) 0.1097(2) 0.55965(15) 0.0429(10) Uani 0.845(9) 1 d . . P A 1
As1' As 0.6653(11) 0.0645(9) 0.5326(7) 0.028(4) Uani 0.155(9) 1 d . . P A 2
As2 As 0.79759(12) 0.59447(11) 0.98137(9) 0.0248(3) Uani 1 1 d . . . . .
As3 As 0.54119(12) 0.15951(11) 0.88740(9) 0.0256(3) Uani 1 1 d . . . . .
As4 As 1.00718(12) 0.59664(10) 0.62953(9) 0.0249(3) Uani 1 1 d . . . . .
As5 As 0.77936(12) 0.14741(11) 1.07389(9) 0.0260(3) Uani 1 1 d . . . . .
As6 As 0.55894(12) 0.60391(11) 0.79674(9) 0.0255(3) Uani 1 1 d . . . . .
As7 As 0.99104(12) 0.14931(11) 0.72913(9) 0.0265(3) Uani 1 1 d . . . . .
C1 C 0.6486(17) 0.1442(19) 0.4388(19) 0.095(9) Uani 1 1 d . . . . .
H1A H 0.700983 0.099784 0.411621 0.143 Uiso 1 1 calc R U . A 1
H1B H 0.586377 0.141481 0.425386 0.143 Uiso 1 1 calc R U . A 1
H1C H 0.678492 0.209536 0.415624 0.143 Uiso 1 1 calc R U . A 1
C2 C 0.5484(17) -0.0148(15) 0.6124(13) 0.066(6) Uani 1 1 d . . . . .
H2A H 0.599749 -0.062517 0.590552 0.099 Uiso 1 1 calc R U . A 1
H2B H 0.525556 -0.027113 0.676394 0.099 Uiso 1 1 calc R U . A 1
H2C H 0.487510 -0.018971 0.597490 0.099 Uiso 1 1 calc R U . A 1
C3 C 0.4589(11) 0.1390(11) 1.0139(9) 0.031(3) Uani 1 1 d . . . . .
H3A H 0.413655 0.193945 1.025429 0.046 Uiso 1 1 calc R U . . .
H3B H 0.506547 0.132317 1.044929 0.046 Uiso 1 1 calc R U . . .
H3C H 0.415432 0.080593 1.034599 0.046 Uiso 1 1 calc R U . . .
C4 C 0.6962(12) 0.0789(11) 1.1933(9) 0.032(3) Uani 1 1 d . . . . .
H4A H 0.623873 0.101407 1.210489 0.047 Uiso 1 1 calc R U . . .
H4B H 0.726454 0.090585 1.233405 0.047 Uiso 1 1 calc R U . . .
H4C H 0.696425 0.010012 1.196370 0.047 Uiso 1 1 calc R U . . .
C5 C 1.1190(12) 0.0842(11) 0.7298(11) 0.037(4) Uani 1 1 d . . . . .
H5A H 1.178509 0.113462 0.676328 0.056 Uiso 1 1 calc R U . . .
H5B H 1.112082 0.016287 0.732085 0.056 Uiso 1 1 calc R U . . .
H5C H 1.131064 0.089928 0.781489 0.056 Uiso 1 1 calc R U . . .
C6 C 1.1393(12) 0.6608(10) 0.5992(10) 0.032(3) Uani 1 1 d . . . . .
H6A H 1.134856 0.729165 0.573726 0.047 Uiso 1 1 calc R U . . .
H6B H 1.195844 0.632608 0.556258 0.047 Uiso 1 1 calc R U . . .
H6C H 1.154138 0.653148 0.652192 0.047 Uiso 1 1 calc R U . . .
C7 C 0.9464(12) 0.6232(9) 0.9437(9) 0.032(3) Uani 1 1 d . . . . .
H7A H 0.981473 0.565544 0.963012 0.048 Uiso 1 1 calc R U . . .
H7B H 0.954752 0.674116 0.969711 0.048 Uiso 1 1 calc R U . . .
H7C H 0.977965 0.644545 0.879458 0.048 Uiso 1 1 calc R U . . .
C8 C 0.9488(12) 0.1161(11) 0.6424(10) 0.035(4) Uani 1 1 d . . . . .
H8A H 0.930424 0.174423 0.607478 0.053 Uiso 1 1 calc R U . . .
H8B H 0.887692 0.072103 0.672636 0.053 Uiso 1 1 calc R U . . .
H8C H 1.006995 0.084999 0.603458 0.053 Uiso 1 1 calc R U . . .
C9 C 0.4769(14) 0.0852(12) 0.8382(12) 0.045(5) Uani 1 1 d . . . . .
H9A H 0.400256 0.088239 0.865791 0.068 Uiso 1 1 calc R U . . .
H9B H 0.498190 0.018260 0.849429 0.068 Uiso 1 1 calc R U . . .
H9C H 0.500088 0.111714 0.774635 0.068 Uiso 1 1 calc R U . . .
C10 C 0.9673(13) 0.6262(10) 0.5283(9) 0.034(4) Uani 1 1 d . . . . .
H10A H 0.910055 0.582673 0.539091 0.051 Uiso 1 1 calc R U . . .
H10B H 1.027976 0.618173 0.475926 0.051 Uiso 1 1 calc R U . . .
H10C H 0.943965 0.692537 0.518824 0.051 Uiso 1 1 calc R U . . .
C11 C 0.7166(13) 0.6605(11) 1.0715(10) 0.035(4) Uani 1 1 d . . . . .
H11A H 0.641632 0.647068 1.089665 0.053 Uiso 1 1 calc R U . . .
H11B H 0.730624 0.729697 1.048403 0.053 Uiso 1 1 calc R U . . .
H11C H 0.736537 0.638369 1.122304 0.053 Uiso 1 1 calc R U . . .
C12 C 0.4897(12) 0.6285(11) 0.9129(9) 0.031(3) Uani 1 1 d . . . . .
H12A H 0.440352 0.575524 0.951658 0.046 Uiso 1 1 calc R U . . .
H12B H 0.451288 0.688425 0.908908 0.046 Uiso 1 1 calc R U . . .
H12C H 0.542346 0.633841 0.936811 0.046 Uiso 1 1 calc R U . . .
C13 C 0.4959(13) 0.6851(11) 0.7204(11) 0.038(4) Uani 1 1 d . . . . .
H13A H 0.517105 0.663619 0.665770 0.057 Uiso 1 1 calc R U . . .
H13B H 0.519753 0.751684 0.706668 0.057 Uiso 1 1 calc R U . . .
H13C H 0.419220 0.680902 0.750218 0.057 Uiso 1 1 calc R U . . .
C14 C 0.9276(12) 0.1115(12) 1.0433(9) 0.034(4) Uani 1 1 d . . . . .
H14A H 0.931346 0.043955 1.071700 0.051 Uiso 1 1 calc R U . . .
H14B H 0.962469 0.151646 1.063530 0.051 Uiso 1 1 calc R U . . .
H14C H 0.962680 0.120878 0.979353 0.051 Uiso 1 1 calc R U . . .
Cl Cl 1.0575(4) 0.8374(3) 0.7513(3) 0.0516(11) Uani 1 1 d . . . . .
K1 K 1.2031(3) 0.3739(3) 0.6798(2) 0.0329(7) Uani 1 1 d . . . . .
K2 K 0.8172(3) 0.8092(3) 0.7615(2) 0.0376(8) Uani 1 1 d . . . . .
K3 K 0.5137(3) 0.3814(3) 0.6768(2) 0.0355(8) Uani 1 1 d . . . . .
O1 O 0.8109(7) 0.4784(6) 0.7143(6) 0.023(2) Uani 1 1 d . . . . .
O2 O 1.0351(7) 0.4736(7) 0.6566(6) 0.024(2) Uani 1 1 d . . . . .
O3 O 0.8055(7) 0.2711(7) 0.7565(6) 0.023(2) Uani 1 1 d . . . . .
O4 O 1.0286(7) 0.2699(7) 0.6996(6) 0.025(2) Uani 1 1 d . . . . .
O5 O 0.8725(7) 0.2672(7) 0.9034(6) 0.024(2) Uani 1 1 d . . . . .
O6 O 0.7571(8) 0.2677(7) 1.0805(6) 0.031(2) Uani 1 1 d . . . . .
O7 O 0.8829(8) 0.4773(7) 0.8583(6) 0.025(2) Uani 1 1 d . . . . .
O8 O 0.7636(7) 0.4757(7) 1.0371(6) 0.026(2) Uani 1 1 d . . . . .
O9 O 0.6559(7) 0.4807(7) 0.8906(6) 0.023(2) Uani 1 1 d . . . . .
O10 O 0.6443(8) 0.2709(6) 0.9352(6) 0.025(2) Uani 1 1 d . . . . .
O11 O 0.5423(8) 0.4894(7) 0.7882(6) 0.030(2) Uani 1 1 d . . . . .
O12 O 0.5342(8) 0.2752(7) 0.8297(6) 0.027(2) Uani 1 1 d . . . . .
O13 O 0.6674(7) 0.1131(7) 0.8610(6) 0.027(2) Uani 1 1 d . . . . .
O14 O 0.7276(8) 0.1105(7) 1.0097(6) 0.028(2) Uani 1 1 d . . . . .
O15 O 0.8986(8) 0.1076(6) 0.8351(6) 0.025(2) Uani 1 1 d . . . . .
O16 O 0.6906(7) 0.6421(7) 0.7492(6) 0.028(2) Uani 1 1 d . . . . .
O17 O 0.7361(10) 0.4687(10) 0.5907(8) 0.049(3) Uani 1 1 d D . . . .
O18 O 0.7554(8) 0.6383(7) 0.8957(6) 0.028(2) Uani 1 1 d . . . . .
O19 O 0.9210(7) 0.6396(6) 0.7179(6) 0.024(2) Uani 1 1 d . . . . .
O20 O 1.0989(9) 0.4712(8) 0.8203(7) 0.038(3) Uani 1 1 d D . . . .
O21 O 1.3108(11) 0.3672(11) 0.5062(9) 0.057(4) Uani 1 1 d D . . . .
O22 O 1.0813(8) 0.2725(8) 0.8696(7) 0.033(2) Uani 1 1 d D . . . .
O23 O 0.7197(13) 0.2748(11) 0.6359(9) 0.065(4) Uani 1 1 d D . . . .
O24 O 0.8813(14) 0.8920(10) 0.5772(8) 0.076(5) Uani 1 1 d . . . . .
H24A H 0.855070 0.952254 0.557222 0.091 Uiso 1 1 calc R U . . .
H24B H 0.928912 0.859338 0.535978 0.091 Uiso 1 1 calc R U . . .
O25 O 0.8413(11) 0.9035(9) 0.9027(9) 0.052(3) Uani 1 1 d D . . . .
O26 O 0.7150(9) 0.9815(8) 0.7467(8) 0.038(3) Uani 1 1 d D . . . .
O27 O 0.3513(8) 0.5167(8) 0.6605(7) 0.037(3) Uani 1 1 d D . . . .
O28 O 0.3430(9) 0.2427(9) 0.7254(8) 0.043(3) Uani 1 1 d D . . . .
O29 O 0.5222(11) 0.3704(10) 0.5053(8) 0.055(3) Uani 1 1 d D . . . .
O30 O 0.5198(14) 0.1925(13) 0.5987(10) 0.091(5) Uani 1 1 d . . . . .
O31 O 0.7241(11) 0.1083(11) 0.5814(8) 0.064(4) Uani 1 1 d . . . . .
H17A H 0.761(9) 0.437(13) 0.629(6) 0.077 Uiso 1 1 d D U . . .
H17B H 0.792(5) 0.488(12) 0.544(6) 0.077 Uiso 1 1 d D U . . .
H20A H 1.110(14) 0.515(8) 0.843(11) 0.077 Uiso 1 1 d D U . . .
H20B H 1.058(12) 0.498(10) 0.794(11) 0.077 Uiso 1 1 d D U . . .
H21A H 1.325(13) 0.428(2) 0.493(14) 0.077 Uiso 1 1 d D U . . .
H21B H 1.352(12) 0.341(8) 0.533(11) 0.077 Uiso 1 1 d D U . . .
H22A H 1.086(13) 0.334(2) 0.861(13) 0.077 Uiso 1 1 d D U . . .
H22B H 1.014(3) 0.260(11) 0.893(12) 0.077 Uiso 1 1 d D U . . .
H23A H 0.729(15) 0.297(11) 0.675(8) 0.077 Uiso 1 1 d D U . . .
H23B H 0.684(15) 0.222(8) 0.665(9) 0.077 Uiso 1 1 d D U . . .
H25A H 0.907(3) 0.917(13) 0.888(13) 0.077 Uiso 1 1 d D U . . .
H25B H 0.809(11) 0.949(10) 0.928(12) 0.077 Uiso 1 1 d D U . . .
H26A H 0.653(6) 0.957(12) 0.781(9) 0.077 Uiso 1 1 d D U . . .
H26B H 0.705(12) 1.021(11) 0.703(8) 0.077 Uiso 1 1 d D U . . .
H27A H 0.324(11) 0.532(13) 0.711(6) 0.077 Uiso 1 1 d D U . . .
H27B H 0.298(8) 0.493(13) 0.656(11) 0.077 Uiso 1 1 d D U . . .
H28A H 0.278(4) 0.255(12) 0.733(12) 0.077 Uiso 1 1 d D U . . .
H28B H 0.339(13) 0.188(7) 0.762(10) 0.077 Uiso 1 1 d D U . . .
H29A H 0.508(15) 0.381(12) 0.458(7) 0.077 Uiso 1 1 d D U . . .
H29B H 0.499(16) 0.312(6) 0.533(10) 0.077 Uiso 1 1 d D U . . .


_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 O3 1.949(9) . ?
Au1 O1 1.960(9) . ?
Au1 O2 2.002(9) . ?
Au1 O4 2.026(9) . ?
Au2 O5 1.960(8) . ?
Au2 O7 1.965(9) . ?
Au2 O6 2.012(10) . ?
Au2 O8 2.021(9) . ?
Au3 O9 1.933(9) . ?
Au3 O10 1.954(9) . ?
Au3 O11 2.011(9) . ?
Au3 O12 2.030(9) . ?
Pt1 O10 1.965(9) . ?
Pt1 O5 1.975(8) . ?
Pt1 O3 1.977(9) . ?
Pt1 O14 2.049(10) . ?
Pt1 O13 2.053(9) . ?
Pt1 O15 2.056(9) . ?
Pt2 O9 1.960(9) . ?
Pt2 O1 1.966(8) . ?
Pt2 O7 1.972(9) . ?
Pt2 O16 2.054(9) . ?
Pt2 O18 2.054(8) . ?
Pt2 O19 2.063(9) . ?
As1 O30 1.684(18) . ?
As1 O31 1.708(12) . ?
As1 C1 1.82(3) . ?
As1 C2 1.86(2) . ?
As1' O31 1.586(14) . ?
As1' C1 1.77(3) . ?
As1' C2 1.85(2) . ?
As2 O8 1.701(10) . ?
As2 O18 1.702(8) . ?
As2 C11 1.891(14) . ?
As2 C7 1.907(15) . ?
As3 O12 1.693(10) . ?
As3 O13 1.711(9) . ?
As3 C9 1.914(13) . ?
As3 C3 1.918(13) . ?
As4 O19 1.699(9) . ?
As4 O2 1.733(9) . ?
As4 C6 1.897(14) . ?
As4 C10 1.910(13) . ?
As5 O14 1.683(8) . ?
As5 O6 1.723(10) . ?
As5 C4 1.904(15) . ?
As5 C14 1.929(14) . ?
As6 O11 1.697(10) . ?
As6 O16 1.712(9) . ?
As6 C12 1.900(12) . ?
As6 C13 1.908(14) . ?
As7 O15 1.703(10) . ?
As7 O4 1.709(10) . ?
As7 C5 1.902(15) . ?
As7 C8 1.916(12) . ?
Cl K2 3.244(6) . ?
K1 O2 2.689(9) . ?
K1 O21 2.705(13) . ?
K1 O28 2.736(11) 1_655 ?
K1 O4 2.747(10) . ?
K1 O27 2.829(11) 1_655 ?
K1 O20 2.841(11) . ?
K1 O22 2.968(12) . ?
K2 O26 2.708(11) . ?
K2 O18 2.773(10) . ?
K2 O19 2.789(9) . ?
K2 O24 2.800(13) . ?
K2 O25 3.105(12) . ?
K2 O16 3.114(10) . ?
K3 O12 2.723(9) . ?
K3 O11 2.826(10) . ?
K3 O27 2.850(11) . ?
K3 O29 2.859(12) . ?
K3 O28 2.880(12) . ?
K3 O23 2.982(16) . ?
K3 O17 2.994(14) . ?

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
O3 Au1 O1 92.9(4) . . ?
O3 Au1 O2 174.8(4) . . ?
O1 Au1 O2 90.2(4) . . ?
O3 Au1 O4 89.2(4) . . ?
O1 Au1 O4 175.9(4) . . ?
O2 Au1 O4 87.4(4) . . ?
O5 Au2 O7 94.0(4) . . ?
O5 Au2 O6 87.6(4) . . ?
O7 Au2 O6 173.8(4) . . ?
O5 Au2 O8 174.7(4) . . ?
O7 Au2 O8 88.2(4) . . ?
O6 Au2 O8 89.7(4) . . ?
O9 Au3 O10 95.1(4) . . ?
O9 Au3 O11 85.9(4) . . ?
O10 Au3 O11 172.9(4) . . ?
O9 Au3 O12 174.8(4) . . ?
O10 Au3 O12 85.5(4) . . ?
O11 Au3 O12 92.9(4) . . ?
O10 Pt1 O5 95.9(4) . . ?
O10 Pt1 O3 95.7(4) . . ?
O5 Pt1 O3 95.0(4) . . ?
O10 Pt1 O14 84.2(4) . . ?
O5 Pt1 O14 88.5(4) . . ?
O3 Pt1 O14 176.5(4) . . ?
O10 Pt1 O13 86.3(4) . . ?
O5 Pt1 O13 177.0(4) . . ?
O3 Pt1 O13 86.8(4) . . ?
O14 Pt1 O13 89.6(4) . . ?
O10 Pt1 O15 175.4(4) . . ?
O5 Pt1 O15 84.3(3) . . ?
O3 Pt1 O15 88.9(4) . . ?
O14 Pt1 O15 91.2(4) . . ?
O13 Pt1 O15 93.4(3) . . ?
O9 Pt2 O1 94.0(4) . . ?
O9 Pt2 O7 95.4(4) . . ?
O1 Pt2 O7 95.7(4) . . ?
O9 Pt2 O16 86.7(4) . . ?
O1 Pt2 O16 87.1(3) . . ?
O7 Pt2 O16 176.4(4) . . ?
O9 Pt2 O18 85.5(4) . . ?
O1 Pt2 O18 176.5(4) . . ?
O7 Pt2 O18 87.8(4) . . ?
O16 Pt2 O18 89.4(3) . . ?
O9 Pt2 O19 176.0(3) . . ?
O1 Pt2 O19 89.6(4) . . ?
O7 Pt2 O19 85.9(4) . . ?
O16 Pt2 O19 91.8(4) . . ?
O18 Pt2 O19 90.8(4) . . ?
O30 As1 O31 115.2(8) . . ?
O30 As1 C1 104.7(10) . . ?
O31 As1 C1 108.5(8) . . ?
O30 As1 C2 108.9(9) . . ?
O31 As1 C2 106.7(8) . . ?
C1 As1 C2 113.2(10) . . ?
O31 As1' C1 117.0(11) . . ?
O31 As1' C2 112.7(10) . . ?
C1 As1' C2 116.1(11) . . ?
O8 As2 O18 115.8(4) . . ?
O8 As2 C11 101.3(6) . . ?
O18 As2 C11 105.5(5) . . ?
O8 As2 C7 113.0(5) . . ?
O18 As2 C7 110.9(5) . . ?
C11 As2 C7 109.5(7) . . ?
O12 As3 O13 115.2(5) . . ?
O12 As3 C9 101.9(6) . . ?
O13 As3 C9 102.1(6) . . ?
O12 As3 C3 113.0(5) . . ?
O13 As3 C3 114.0(5) . . ?
C9 As3 C3 109.0(7) . . ?
O19 As4 O2 114.3(4) . . ?
O19 As4 C6 103.7(6) . . ?
O2 As4 C6 103.7(5) . . ?
O19 As4 C10 113.8(6) . . ?
O2 As4 C10 110.8(5) . . ?
C6 As4 C10 109.8(7) . . ?
O14 As5 O6 115.3(4) . . ?
O14 As5 C4 104.7(6) . . ?
O6 As5 C4 101.9(5) . . ?
O14 As5 C14 110.8(5) . . ?
O6 As5 C14 113.6(6) . . ?
C4 As5 C14 109.6(6) . . ?
O11 As6 O16 112.8(5) . . ?
O11 As6 C12 116.1(6) . . ?
O16 As6 C12 111.2(6) . . ?
O11 As6 C13 103.6(6) . . ?
O16 As6 C13 104.1(6) . . ?
C12 As6 C13 107.9(6) . . ?
O15 As7 O4 116.2(4) . . ?
O15 As7 C5 104.5(6) . . ?
O4 As7 C5 102.6(6) . . ?
O15 As7 C8 111.1(6) . . ?
O4 As7 C8 111.6(6) . . ?
C5 As7 C8 110.2(7) . . ?
O2 K1 O21 96.3(3) . . ?
O2 K1 O28 168.2(3) . 1_655 ?
O21 K1 O28 89.1(4) . 1_655 ?
O2 K1 O4 61.6(3) . . ?
O21 K1 O4 93.9(4) . . ?
O28 K1 O4 107.7(3) 1_655 . ?
O2 K1 O27 105.9(3) . 1_655 ?
O21 K1 O27 90.1(4) . 1_655 ?
O28 K1 O27 84.6(3) 1_655 1_655 ?
O4 K1 O27 167.2(3) . 1_655 ?
O2 K1 O20 69.7(3) . . ?
O21 K1 O20 154.0(4) . . ?
O28 K1 O20 109.0(3) 1_655 . ?
O4 K1 O20 98.0(3) . . ?
O27 K1 O20 73.7(3) 1_655 . ?
O2 K1 O22 95.3(3) . . ?
O21 K1 O22 149.9(4) . . ?
O28 K1 O22 75.1(3) 1_655 . ?
O4 K1 O22 67.8(3) . . ?
O27 K1 O22 113.2(3) 1_655 . ?
O20 K1 O22 55.8(3) . . ?
O26 K2 O18 129.6(4) . . ?
O26 K2 O19 160.0(3) . . ?
O18 K2 O19 63.6(3) . . ?
O26 K2 O24 74.0(4) . . ?
O18 K2 O24 145.5(3) . . ?
O19 K2 O24 87.8(4) . . ?
O26 K2 O25 75.2(3) . . ?
O18 K2 O25 86.8(3) . . ?
O19 K2 O25 123.6(3) . . ?
O24 K2 O25 126.7(4) . . ?
O26 K2 O16 111.4(3) . . ?
O18 K2 O16 58.5(3) . . ?
O19 K2 O16 59.8(3) . . ?
O24 K2 O16 91.3(4) . . ?
O25 K2 O16 140.6(3) . . ?
O26 K2 Cl 111.9(3) . . ?
O18 K2 Cl 99.4(2) . . ?
O19 K2 Cl 75.9(2) . . ?
O24 K2 Cl 91.2(4) . . ?
O25 K2 Cl 62.2(3) . . ?
O16 K2 Cl 135.6(2) . . ?
O12 K3 O11 63.7(3) . . ?
O12 K3 O27 128.1(3) . . ?
O11 K3 O27 86.6(3) . . ?
O12 K3 O29 143.6(4) . . ?
O11 K3 O29 150.1(4) . . ?
O27 K3 O29 80.2(4) . . ?
O12 K3 O28 84.0(3) . . ?
O11 K3 O28 126.7(3) . . ?
O27 K3 O28 81.6(3) . . ?
O29 K3 O28 77.9(4) . . ?
O12 K3 O23 68.7(3) . . ?
O11 K3 O23 98.3(3) . . ?
O27 K3 O23 162.3(4) . . ?
O29 K3 O23 87.4(4) . . ?
O28 K3 O23 108.3(4) . . ?
O12 K3 O17 95.8(3) . . ?
O11 K3 O17 70.9(3) . . ?
O27 K3 O17 114.3(4) . . ?
O29 K3 O17 90.2(3) . . ?
O28 K3 O17 158.5(4) . . ?
O23 K3 O17 52.7(4) . . ?
Au1 O1 Pt2 115.7(4) . . ?
As4 O2 Au1 119.6(5) . . ?
As4 O2 K1 134.5(5) . . ?
Au1 O2 K1 104.2(4) . . ?
Au1 O3 Pt1 116.1(4) . . ?
As7 O4 Au1 119.6(5) . . ?
As7 O4 K1 136.3(5) . . ?
Au1 O4 K1 101.5(4) . . ?
Au2 O5 Pt1 117.0(4) . . ?
As5 O6 Au2 117.8(5) . . ?
Au2 O7 Pt2 116.4(5) . . ?
As2 O8 Au2 117.9(5) . . ?
Au3 O9 Pt2 118.8(4) . . ?
Au3 O10 Pt1 118.8(4) . . ?
As6 O11 Au3 116.6(5) . . ?
As6 O11 K3 143.9(5) . . ?
Au3 O11 K3 96.3(4) . . ?
As3 O12 Au3 115.0(4) . . ?
As3 O12 K3 143.1(4) . . ?
Au3 O12 K3 99.1(4) . . ?
As3 O13 Pt1 112.9(5) . . ?
As5 O14 Pt1 115.4(5) . . ?
As7 O15 Pt1 117.6(5) . . ?
As6 O16 Pt2 113.8(5) . . ?
As6 O16 K2 134.6(4) . . ?
Pt2 O16 K2 83.0(3) . . ?
As2 O18 Pt2 116.5(5) . . ?
As2 O18 K2 129.1(5) . . ?
Pt2 O18 K2 92.2(3) . . ?
As4 O19 Pt2 117.3(5) . . ?
As4 O19 K2 141.7(5) . . ?
Pt2 O19 K2 91.6(3) . . ?
K1 O27 K3 95.4(4) 1_455 . ?
K1 O28 K3 96.8(4) 1_455 . ?
As1 O30 K3 136.7(9) . . ?

_refine_diff_density_max         2.442
_refine_diff_density_min         -2.096
_refine_diff_density_rms         0.323




# start Validation Reply Form
_vrf_PLAT420_K-1                 
;
PROBLEM: D-H Bond Without Acceptor  O17      --H17B     .     Please Check 
RESPONSE: This alert has appeared because the thermaly disordered
uncoordinated lattice water molecules, which are the H-bond acceptors,
have been removed from the final refinement using the SQUEEZE command
of Platon.
;
_vrf_PLAT910_K-1                 
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         16 Note  
RESPONSE: This alert is a result of the omission of several low-order
outlier reflections using the OMIT command and SQUEEZE solvent
modelling refinement technique.
;
_vrf_PLAT971_K-1                 
;
PROBLEM: Check Calcd Resid. Dens.  0.97Ang From Au1             2.65 eA-3  
RESPONSE: This is a result of strong X-ray absorption due to the
presence of heavy elements. This does not have any chemical significance.
;
# end Validation Reply Form
