# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_SrZnSnS4
_database_code_depnum_ccdc_archive 'CCDC 1905950'
loop_
_audit_author_name
_audit_author_address
'Dajiang Mei'
;Shanghai University Of Engineering Science
China
;
_audit_update_record             
;
2019-03-30 deposited with the CCDC.	2019-07-01 downloaded from the CCDC.
;
_audit_creation_date             2019-03-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.03(S128 Sn32 Sr32 Zn32)'
_chemical_formula_sum            'S4 Sn Sr Zn'
_chemical_formula_weight         399.92
_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
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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      orthorhombic
_space_group_IT_number           43
_space_group_name_H-M_alt        'F d d 2'
_space_group_name_Hall           'F 2 -2d'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/4, y+1/4, z+1/4'
'x+3/4, -y+3/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x+1/4, y+3/4, z+3/4'
'x+3/4, -y+5/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+3/4, y+1/4, z+3/4'
'x+5/4, -y+3/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+3/4, y+3/4, z+1/4'
'x+5/4, -y+5/4, z+1/4'

_cell_length_a                   12.6336(4)
_cell_length_b                   20.9242(8)
_cell_length_c                   20.8591(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5514.1(4)
_cell_formula_units_Z            32
_cell_measurement_reflns_used    3772
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.7780
_cell_measurement_theta_min      3.7630
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    15.842
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    3.854
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             5824
_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  0.0272
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.914
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            8118
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.915
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.675
_diffrn_reflns_theta_min         3.477
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.951
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.915
_reflns_number_gt                2235
_reflns_number_total             3009
_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       ?
_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 (Sheldrick, 2015)'
_refine_diff_density_max         5.147
_refine_diff_density_min         -2.347
_refine_diff_density_rms         0.424
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.23(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     119
_refine_ls_number_reflns         3009
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0415
_refine_ls_restrained_S_all      1.124
_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)+(0.1131P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1411
_refine_ls_wR_factor_ref         0.1607
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.77(2)
 0.23(2)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_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
Sn1 Sn 0.74856(10) -0.12473(4) -0.13435(4) 0.0083(3) Uani 1 1 d . . . . .
Sn2 Sn 0.95988(10) -0.12506(5) 0.15890(4) 0.0093(3) Uani 1 1 d . . . . .
Zn1 Zn 0.78431(15) -0.12519(9) 0.05092(9) 0.0091(4) Uani 1 1 d . . . . .
S3 S 0.6245(3) -0.21056(16) -0.1463(2) 0.0082(6) Uani 1 1 d . . . . .
S4 S 0.6225(3) -0.03993(16) -0.1469(2) 0.0101(7) Uani 1 1 d . . . . .
S5 S 0.8596(3) -0.12390(17) -0.2300(2) 0.0076(7) Uani 1 1 d . . . . .
S6 S 0.8745(3) -0.21111(16) 0.1040(2) 0.0096(7) Uani 1 1 d . . . . .
S7 S 0.8721(3) -0.03921(16) 0.1042(2) 0.0077(6) Uani 1 1 d . . . . .
S8 S 0.8734(3) -0.12390(19) -0.0503(2) 0.0111(7) Uani 1 1 d . . . . .
Sr1 Sr 0.7500 -0.2500 -0.27270(12) 0.0094(4) Uani 1 2 d S T P . .
Sr2 Sr 0.7500 -0.2500 0.22892(13) 0.0097(4) Uani 1 2 d S T P . .
Sr3 Sr 0.75090(11) 0.00238(4) -0.27180(10) 0.0098(4) Uani 1 1 d . . . . .
Zn0A Zn 0.49927(14) -0.12598(8) -0.15887(8) 0.0098(4) Uani 1 1 d . . . . .
S1 S 1.1412(3) -0.12383(16) 0.18507(19) 0.0075(6) Uiso 1 1 d . . . . .
S2 S 0.8730(3) -0.12616(15) 0.26163(16) 0.0058(7) Uiso 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
Sn1 S3 2.396(4) . ?
Sn1 S4 2.399(4) . ?
Sn1 S5 2.439(4) . ?
Sn1 S8 2.358(4) . ?
Sn1 Sr1 3.899(2) . ?
Sn1 Sr3 3.9109(19) . ?
Sn1 Zn0A 3.1908(17) . ?
Sn2 Zn1 3.1611(18) . ?
Sn2 S6 2.391(4) . ?
Sn2 S7 2.400(4) . ?
Sn2 Sr2 3.9997(15) . ?
Sn2 Sr3 3.9711(17) 10_655 ?
Sn2 S1 2.355(4) . ?
Sn2 S2 2.408(4) . ?
Zn1 S5 2.299(5) 4_445 ?
Zn1 S6 2.399(4) . ?
Zn1 S7 2.388(4) . ?
Zn1 S8 2.393(4) . ?
S3 Sr1 3.185(4) . ?
S3 Sr3 3.154(4) 4_445 ?
S3 Zn0A 2.389(4) . ?
S4 Sr1 3.131(5) 3_655 ?
S4 Sr3 3.195(4) . ?
S4 Zn0A 2.394(4) . ?
S5 Zn1 2.300(5) 12_444 ?
S5 Sr1 3.110(4) . ?
S5 Sr3 3.103(4) . ?
S6 Sr2 3.151(5) . ?
S6 Sr3 3.153(4) 15_645 ?
S7 Sr2 3.180(4) 11_654 ?
S7 Sr3 3.115(4) 10_655 ?
S8 Sr2 3.107(4) 11_654 ?
S8 Sr3 3.094(4) 15_645 ?
Sr1 Sn1 3.899(2) 14_645 ?
Sr1 S3 3.185(4) 14_645 ?
Sr1 S4 3.131(5) 12_444 ?
Sr1 S4 3.131(5) 7_644 ?
Sr1 S5 3.110(4) 14_645 ?
Sr1 Zn0A 3.875(3) 12_444 ?
Sr1 Zn0A 3.875(3) 7_644 ?
Sr1 S1 3.104(4) 9_454 ?
Sr1 S1 3.104(4) 6_744 ?
Sr2 Sn2 3.9997(15) 14_645 ?
Sr2 S6 3.151(5) 14_645 ?
Sr2 S7 3.180(4) 4_445 ?
Sr2 S7 3.180(4) 15_645 ?
Sr2 S8 3.107(4) 4_445 ?
Sr2 S8 3.107(4) 15_645 ?
Sr2 S2 3.098(3) 14_645 ?
Sr2 S2 3.098(3) . ?
Sr3 Sn2 3.9711(17) 10_654 ?
Sr3 S3 3.154(4) 12_444 ?
Sr3 S6 3.153(4) 11_654 ?
Sr3 S7 3.114(4) 10_654 ?
Sr3 S8 3.094(4) 11_654 ?
Sr3 Zn0A 3.895(2) 12_444 ?
Sr3 S1 3.115(4) 9_454 ?
Sr3 S2 3.106(4) 10_654 ?
Zn0A Sr1 3.875(3) 3_655 ?
Zn0A Sr3 3.895(2) 4_445 ?
Zn0A S1 2.389(4) 12_344 ?
Zn0A S2 2.301(4) 9_454 ?
S1 Sr1 3.104(4) 9 ?
S1 Sr3 3.115(4) 9 ?
S1 Zn0A 2.388(4) 4_545 ?
S2 Sr3 3.106(4) 10_655 ?
S2 Zn0A 2.301(4) 9 ?

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 Sn1 S4 96.26(12) . . ?
S3 Sn1 S5 107.24(14) . . ?
S3 Sn1 Sr1 54.71(10) . . ?
S3 Sn1 Sr3 116.01(11) . . ?
S3 Sn1 Zn0A 48.07(9) . . ?
S4 Sn1 S5 106.72(14) . . ?
S4 Sn1 Sr1 114.83(11) . . ?
S4 Sn1 Sr3 54.70(10) . . ?
S4 Sn1 Zn0A 48.19(9) . . ?
S5 Sn1 Sr1 52.88(9) . . ?
S5 Sn1 Sr3 52.50(9) . . ?
S5 Sn1 Zn0A 115.89(12) . . ?
S8 Sn1 S3 121.33(15) . . ?
S8 Sn1 S4 121.30(15) . . ?
S8 Sn1 S5 102.91(13) . . ?
S8 Sn1 Sr1 123.51(10) . . ?
S8 Sn1 Sr3 122.34(10) . . ?
S8 Sn1 Zn0A 141.20(11) . . ?
Sr1 Sn1 Sr3 85.10(4) . . ?
Zn0A Sn1 Sr1 83.13(3) . . ?
Zn0A Sn1 Sr3 84.00(4) . . ?
Zn1 Sn2 Sr2 78.14(5) . . ?
Zn1 Sn2 Sr3 77.84(5) . 10_655 ?
S6 Sn2 Zn1 48.81(10) . . ?
S6 Sn2 S7 97.31(14) . . ?
S6 Sn2 Sr2 51.96(11) . . ?
S6 Sn2 Sr3 111.02(10) . 10_655 ?
S6 Sn2 S2 102.34(13) . . ?
S7 Sn2 Zn1 48.52(10) . . ?
S7 Sn2 Sr2 110.89(9) . . ?
S7 Sn2 Sr3 51.64(10) . 10_655 ?
S7 Sn2 S2 102.70(13) . . ?
Sr3 Sn2 Sr2 81.09(3) 10_655 . ?
S1 Sn2 Zn1 147.96(11) . . ?
S1 Sn2 S6 123.93(13) . . ?
S1 Sn2 S7 123.47(13) . . ?
S1 Sn2 Sr2 124.56(10) . . ?
S1 Sn2 Sr3 124.11(10) . 10_655 ?
S1 Sn2 S2 103.71(14) . . ?
S2 Sn2 Zn1 108.33(11) . . ?
S2 Sn2 Sr2 50.70(9) . . ?
S2 Sn2 Sr3 51.43(9) . 10_655 ?
S5 Zn1 Sn2 150.84(12) 4_445 . ?
S5 Zn1 S6 125.38(15) 4_445 . ?
S5 Zn1 S7 125.63(15) 4_445 . ?
S5 Zn1 S8 101.78(16) 4_445 . ?
S6 Zn1 Sn2 48.61(10) . . ?
S7 Zn1 Sn2 48.84(9) . . ?
S7 Zn1 S6 97.44(15) . . ?
S7 Zn1 S8 100.58(15) . . ?
S8 Zn1 Sn2 107.37(11) . . ?
S8 Zn1 S6 101.07(15) . . ?
Sn1 S3 Sr1 87.41(11) . . ?
Sn1 S3 Sr3 116.50(15) . 4_445 ?
Sr3 S3 Sr1 148.88(12) 4_445 . ?
Zn0A S3 Sn1 83.64(12) . . ?
Zn0A S3 Sr1 115.50(15) . . ?
Zn0A S3 Sr3 88.17(12) . 4_445 ?
Sn1 S4 Sr1 115.83(16) . 3_655 ?
Sn1 S4 Sr3 87.51(11) . . ?
Sr1 S4 Sr3 148.42(12) 3_655 . ?
Zn0A S4 Sn1 83.50(12) . . ?
Zn0A S4 Sr1 88.04(12) . 3_655 ?
Zn0A S4 Sr3 116.96(16) . . ?
Sn1 S5 Sr1 88.41(12) . . ?
Sn1 S5 Sr3 88.93(12) . . ?
Zn1 S5 Sn1 108.83(18) 12_444 . ?
Zn1 S5 Sr1 120.04(14) 12_444 . ?
Zn1 S5 Sr3 120.70(15) 12_444 . ?
Sr3 S5 Sr1 116.42(14) . . ?
Sn2 S6 Zn1 82.58(12) . . ?
Sn2 S6 Sr2 91.33(13) . . ?
Sn2 S6 Sr3 110.84(13) . 15_645 ?
Zn1 S6 Sr2 109.76(14) . . ?
Zn1 S6 Sr3 92.00(14) . 15_645 ?
Sr2 S6 Sr3 151.02(12) . 15_645 ?
Sn2 S7 Sr2 110.43(12) . 11_654 ?
Sn2 S7 Sr3 91.19(13) . 10_655 ?
Zn1 S7 Sn2 82.64(12) . . ?
Zn1 S7 Sr2 92.75(14) . 11_654 ?
Zn1 S7 Sr3 109.95(13) . 10_655 ?
Sr3 S7 Sr2 150.71(12) 10_655 11_654 ?
Sn1 S8 Zn1 109.95(16) . . ?
Sn1 S8 Sr2 119.75(15) . 11_654 ?
Sn1 S8 Sr3 118.68(15) . 15_645 ?
Zn1 S8 Sr2 94.50(15) . 11_654 ?
Zn1 S8 Sr3 93.58(14) . 15_645 ?
Sr3 S8 Sr2 113.34(12) 15_645 11_654 ?
Sn1 Sr1 Sn1 84.50(6) 14_645 . ?
S3 Sr1 Sn1 64.13(8) 14_645 . ?
S3 Sr1 Sn1 37.88(7) 14_645 14_645 ?
S3 Sr1 Sn1 64.13(8) . 14_645 ?
S3 Sr1 Sn1 37.88(7) . . ?
S3 Sr1 S3 68.25(14) . 14_645 ?
S3 Sr1 Zn0A 141.64(7) . 7_644 ?
S3 Sr1 Zn0A 141.64(7) 14_645 12_444 ?
S3 Sr1 Zn0A 115.43(7) 14_645 7_644 ?
S3 Sr1 Zn0A 115.43(7) . 12_444 ?
S4 Sr1 Sn1 142.14(7) 12_444 14_645 ?
S4 Sr1 Sn1 115.80(7) 12_444 . ?
S4 Sr1 Sn1 115.80(7) 7_644 14_645 ?
S4 Sr1 Sn1 142.14(7) 7_644 . ?
S4 Sr1 S3 149.51(7) 12_444 . ?
S4 Sr1 S3 120.53(8) 7_644 . ?
S4 Sr1 S3 149.51(7) 7_644 14_645 ?
S4 Sr1 S3 120.53(8) 12_444 14_645 ?
S4 Sr1 S4 68.36(15) 7_644 12_444 ?
S4 Sr1 Zn0A 38.12(7) 7_644 7_644 ?
S4 Sr1 Zn0A 64.79(8) 12_444 7_644 ?
S4 Sr1 Zn0A 64.79(8) 7_644 12_444 ?
S4 Sr1 Zn0A 38.12(7) 12_444 12_444 ?
S5 Sr1 Sn1 110.87(10) 14_645 . ?
S5 Sr1 Sn1 110.87(10) . 14_645 ?
S5 Sr1 Sn1 38.71(8) . . ?
S5 Sr1 Sn1 38.71(8) 14_645 14_645 ?
S5 Sr1 S3 76.18(11) . 14_645 ?
S5 Sr1 S3 76.18(11) 14_645 . ?
S5 Sr1 S3 76.39(10) 14_645 14_645 ?
S5 Sr1 S3 76.39(10) . . ?
S5 Sr1 S4 133.12(11) 14_645 12_444 ?
S5 Sr1 S4 77.91(10) 14_645 7_644 ?
S5 Sr1 S4 77.91(10) . 12_444 ?
S5 Sr1 S4 133.12(11) . 7_644 ?
S5 Sr1 S5 146.71(17) . 14_645 ?
S5 Sr1 Zn0A 141.81(9) 14_645 12_444 ?
S5 Sr1 Zn0A 68.53(8) 14_645 7_644 ?
S5 Sr1 Zn0A 68.53(8) . 12_444 ?
S5 Sr1 Zn0A 141.81(9) . 7_644 ?
Zn0A Sr1 Sn1 179.37(6) 12_444 14_645 ?
Zn0A Sr1 Sn1 94.89(2) 7_644 14_645 ?
Zn0A Sr1 Sn1 94.89(2) 12_444 . ?
Zn0A Sr1 Sn1 179.37(6) 7_644 . ?
Zn0A Sr1 Zn0A 85.73(7) 7_644 12_444 ?
S1 Sr1 Sn1 68.66(8) 6_744 14_645 ?
S1 Sr1 Sn1 68.66(8) 9_454 . ?
S1 Sr1 Sn1 141.62(9) 9_454 14_645 ?
S1 Sr1 Sn1 141.62(9) 6_744 . ?
S1 Sr1 S3 78.12(10) 6_744 14_645 ?
S1 Sr1 S3 78.12(10) 9_454 . ?
S1 Sr1 S3 132.50(11) 9_454 14_645 ?
S1 Sr1 S3 132.50(11) 6_744 . ?
S1 Sr1 S4 75.95(10) 6_744 7_644 ?
S1 Sr1 S4 76.90(10) 6_744 12_444 ?
S1 Sr1 S4 76.90(10) 9_454 7_644 ?
S1 Sr1 S4 75.95(10) 9_454 12_444 ?
S1 Sr1 S5 63.70(8) 9_454 . ?
S1 Sr1 S5 127.28(8) 6_744 . ?
S1 Sr1 S5 63.70(8) 6_744 14_645 ?
S1 Sr1 S5 127.28(8) 9_454 14_645 ?
S1 Sr1 Zn0A 38.04(8) 6_744 7_644 ?
S1 Sr1 Zn0A 38.04(8) 9_454 12_444 ?
S1 Sr1 Zn0A 111.82(10) 6_744 12_444 ?
S1 Sr1 Zn0A 111.82(10) 9_454 7_644 ?
S1 Sr1 S1 147.03(17) 6_744 9_454 ?
Sn2 Sr2 Sn2 137.16(8) 14_645 . ?
S6 Sr2 Sn2 101.39(9) 14_645 . ?
S6 Sr2 Sn2 36.71(7) . . ?
S6 Sr2 Sn2 101.39(9) . 14_645 ?
S6 Sr2 Sn2 36.71(7) 14_645 14_645 ?
S6 Sr2 S6 68.38(15) 14_645 . ?
S6 Sr2 S7 119.52(8) . 15_645 ?
S6 Sr2 S7 119.52(8) 14_645 4_445 ?
S6 Sr2 S7 150.08(7) 14_645 15_645 ?
S6 Sr2 S7 150.08(7) . 4_445 ?
S7 Sr2 Sn2 117.92(7) 4_445 . ?
S7 Sr2 Sn2 97.58(7) 15_645 . ?
S7 Sr2 Sn2 117.92(7) 15_645 14_645 ?
S7 Sr2 Sn2 97.58(7) 4_445 14_645 ?
S7 Sr2 S7 69.49(14) 15_645 4_445 ?
S8 Sr2 Sn2 97.62(8) 15_645 . ?
S8 Sr2 Sn2 73.99(8) 15_645 14_645 ?
S8 Sr2 Sn2 97.62(8) 4_445 14_645 ?
S8 Sr2 Sn2 73.99(8) 4_445 . ?
S8 Sr2 S6 78.24(10) 15_645 . ?
S8 Sr2 S6 83.06(11) 15_645 14_645 ?
S8 Sr2 S6 83.06(11) 4_445 . ?
S8 Sr2 S6 78.24(10) 4_445 14_645 ?
S8 Sr2 S7 129.65(12) 4_445 15_645 ?
S8 Sr2 S7 71.60(10) 4_445 4_445 ?
S8 Sr2 S7 129.65(12) 15_645 4_445 ?
S8 Sr2 S7 71.60(10) 15_645 15_645 ?
S8 Sr2 S8 157.37(19) 15_645 4_445 ?
S2 Sr2 Sn2 36.97(7) . . ?
S2 Sr2 Sn2 163.70(8) . 14_645 ?
S2 Sr2 Sn2 36.97(7) 14_645 14_645 ?
S2 Sr2 Sn2 163.70(8) 14_645 . ?
S2 Sr2 S6 73.49(9) 14_645 14_645 ?
S2 Sr2 S6 130.44(11) . 14_645 ?
S2 Sr2 S6 73.49(9) . . ?
S2 Sr2 S6 130.44(11) 14_645 . ?
S2 Sr2 S7 81.85(10) 14_645 15_645 ?
S2 Sr2 S7 81.84(10) . 4_445 ?
S2 Sr2 S7 77.28(10) . 15_645 ?
S2 Sr2 S7 77.28(10) 14_645 4_445 ?
S2 Sr2 S8 66.64(8) . 4_445 ?
S2 Sr2 S8 118.88(8) . 15_645 ?
S2 Sr2 S8 118.88(8) 14_645 4_445 ?
S2 Sr2 S8 66.64(8) 14_645 15_645 ?
S2 Sr2 S2 154.55(16) . 14_645 ?
Sn1 Sr3 Sn2 134.54(5) . 10_654 ?
S3 Sr3 Sn1 114.75(7) 12_444 . ?
S3 Sr3 Sn2 102.22(8) 12_444 10_654 ?
S3 Sr3 S4 147.79(8) 12_444 . ?
S3 Sr3 Zn0A 37.81(7) 12_444 12_444 ?
S4 Sr3 Sn1 37.79(6) . . ?
S4 Sr3 Sn2 97.79(8) . 10_654 ?
S4 Sr3 Zn0A 114.08(8) . 12_444 ?
S5 Sr3 Sn1 38.57(8) . . ?
S5 Sr3 Sn2 161.72(9) . 10_654 ?
S5 Sr3 S3 77.05(10) . 12_444 ?
S5 Sr3 S4 76.08(10) . . ?
S5 Sr3 S6 75.61(11) . 11_654 ?
S5 Sr3 S7 131.68(11) . 10_654 ?
S5 Sr3 Zn0A 68.31(9) . 12_444 ?
S5 Sr3 S1 63.65(8) . 9_454 ?
S5 Sr3 S2 150.47(13) . 10_654 ?
S6 Sr3 Sn1 63.81(7) 11_654 . ?
S6 Sr3 Sn2 118.75(7) 11_654 10_654 ?
S6 Sr3 S3 120.32(11) 11_654 12_444 ?
S6 Sr3 S4 69.02(11) 11_654 . ?
S6 Sr3 Zn0A 141.06(8) 11_654 12_444 ?
S7 Sr3 Sn1 140.66(8) 10_654 . ?
S7 Sr3 Sn2 37.17(7) 10_654 10_654 ?
S7 Sr3 S3 68.41(12) 10_654 12_444 ?
S7 Sr3 S4 119.52(11) 10_654 . ?
S7 Sr3 S6 151.66(8) 10_654 11_654 ?
S7 Sr3 Zn0A 63.62(7) 10_654 12_444 ?
S7 Sr3 S1 75.40(10) 10_654 9_454 ?
S8 Sr3 Sn1 135.53(10) 11_654 . ?
S8 Sr3 Sn2 74.54(8) 11_654 10_654 ?
S8 Sr3 S3 79.62(10) 11_654 12_444 ?
S8 Sr3 S4 130.47(12) 11_654 . ?
S8 Sr3 S5 122.63(12) 11_654 . ?
S8 Sr3 S6 72.60(11) 11_654 11_654 ?
S8 Sr3 S7 83.66(11) 11_654 10_654 ?
S8 Sr3 Zn0A 115.45(10) 11_654 12_444 ?
S8 Sr3 S1 151.89(13) 11_654 9_454 ?
S8 Sr3 S2 66.69(8) 11_654 10_654 ?
Zn0A Sr3 Sn1 94.37(3) 12_444 . ?
Zn0A Sr3 Sn2 99.68(5) 12_444 10_654 ?
S1 Sr3 Sn1 68.39(8) 9_454 . ?
S1 Sr3 Sn2 98.31(8) 9_454 10_654 ?
S1 Sr3 S3 75.37(10) 9_454 12_444 ?
S1 Sr3 S4 76.98(10) 9_454 . ?
S1 Sr3 S6 131.88(11) 9_454 11_654 ?
S1 Sr3 Zn0A 37.82(8) 9_454 12_444 ?
S2 Sr3 Sn1 113.50(9) 10_654 . ?
S2 Sr3 Sn2 37.31(7) 10_654 10_654 ?
S2 Sr3 S3 131.75(11) 10_654 12_444 ?
S2 Sr3 S4 77.99(10) 10_654 . ?
S2 Sr3 S6 82.12(10) 10_654 11_654 ?
S2 Sr3 S7 74.25(9) 10_654 10_654 ?
S2 Sr3 Zn0A 136.76(9) 10_654 12_444 ?
S2 Sr3 S1 123.20(11) 10_654 9_454 ?
Sn1 Zn0A Sr1 82.79(4) . 3_655 ?
Sn1 Zn0A Sr3 83.26(4) . 4_445 ?
S3 Zn0A Sn1 48.28(9) . . ?
S3 Zn0A S4 96.60(12) . . ?
S3 Zn0A Sr1 114.95(11) . 3_655 ?
S3 Zn0A Sr3 54.03(10) . 4_445 ?
S4 Zn0A Sn1 48.32(9) . . ?
S4 Zn0A Sr1 53.84(11) . 3_655 ?
S4 Zn0A Sr3 115.50(12) . 4_445 ?
Sr1 Zn0A Sr3 85.63(5) 3_655 4_445 ?
S1 Zn0A Sn1 115.64(11) 12_344 . ?
S1 Zn0A S3 106.70(15) 12_344 . ?
S1 Zn0A S4 106.69(15) 12_344 . ?
S1 Zn0A Sr1 53.21(10) 12_344 3_655 ?
S1 Zn0A Sr3 53.10(10) 12_344 4_445 ?
S2 Zn0A Sn1 143.11(11) 9_454 . ?
S2 Zn0A S3 122.50(15) 9_454 . ?
S2 Zn0A S4 121.84(15) 9_454 . ?
S2 Zn0A Sr1 122.08(10) 9_454 3_655 ?
S2 Zn0A Sr3 122.12(10) 9_454 4_445 ?
S2 Zn0A S1 101.25(13) 9_454 12_344 ?
Sn2 S1 Sr1 119.16(13) . 9 ?
Sn2 S1 Sr3 120.60(13) . 9 ?
Sn2 S1 Zn0A 111.46(17) . 4_545 ?
Sr1 S1 Sr3 116.23(13) 9 9 ?
Zn0A S1 Sr1 88.75(12) 4_545 9 ?
Zn0A S1 Sr3 89.08(12) 4_545 9 ?
Sn2 S2 Sr2 92.33(11) . . ?
Sn2 S2 Sr3 91.26(11) . 10_655 ?
Sr2 S2 Sr3 113.28(12) . 10_655 ?
Zn0A S2 Sn2 109.00(16) 9 . ?
Zn0A S2 Sr2 120.53(14) 9 . ?
Zn0A S2 Sr3 120.66(14) 9 10_655 ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.77(2)
2 0.23(2)

