# 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_gjy20230629001_0m
_database_code_depnum_ccdc_archive 'CCDC 2332572'
loop_
_audit_author_name
_audit_author_address
'Jingyu GUO'
;Beijing Normal University  Zhuhai
China
;
_audit_update_record             
;
2024-02-13 deposited with the CCDC.	2024-06-26 downloaded from the CCDC.
;
_audit_creation_date             2023-06-29
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'F O5 P Sn3'
_chemical_formula_sum            'F O5 P Sn3'
_chemical_formula_weight         486.04
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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'

_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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   4.8865(2)
_cell_length_b                   11.4484(5)
_cell_length_c                   11.9947(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.2860(10)
_cell_angle_gamma                90
_cell_volume                     665.60(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8171
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      27.538
_cell_measurement_theta_min      2.469
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.391
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0591 before and 0.0444 after correction.
The Ratio of minimum to maximum transmission is 0.7927.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.850
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0155
_diffrn_reflns_Laue_measured_fraction_full 0.951
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12626
_diffrn_reflns_point_group_measured_fraction_full 0.951
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.540
_diffrn_reflns_theta_min         2.469
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.962
_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
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1444
_reflns_number_total             1480
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.540
_refine_diff_density_rms         0.130
_refine_ls_extinction_coef       0.0016(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     92
_refine_ls_number_reflns         1480
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0184
_refine_ls_R_factor_gt           0.0177
_refine_ls_restrained_S_all      1.184
_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)+(0.0047P)²+2.4873P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0366
_refine_ls_wR_factor_ref         0.0369
_refine_special_details          ?
_olex2_refinement_description    
;
;
_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 1.12231(5) 0.86081(2) 0.20150(2) 0.01565(8) Uani 1 1 d . . . . .
Sn2 Sn 0.71897(5) 0.89653(2) 0.43889(2) 0.01624(8) Uani 1 1 d . . . . .
Sn3 Sn 1.09049(5) 0.64230(2) 0.41363(2) 0.01864(8) Uani 1 1 d . . . . .
P1 P 0.61656(17) 0.65684(8) 0.18614(7) 0.01217(17) Uani 1 1 d . . . . .
O1 O 0.5074(5) 0.5723(2) 0.0887(2) 0.0179(5) Uani 1 1 d . . . . .
O2 O 0.3707(5) 0.7069(2) 0.2395(2) 0.0204(5) Uani 1 1 d . . . . .
O3 O 0.7985(5) 0.5836(2) 0.2731(2) 0.0177(5) Uani 1 1 d . . . . .
O4 O 0.7765(5) 0.7554(2) 0.1366(2) 0.0211(5) Uani 1 1 d . . . . .
O5 O 1.0202(5) 0.8137(2) 0.3616(2) 0.0172(5) Uani 1 1 d . . . . .
F1 F 0.7309(5) 0.7068(2) 0.49791(19) 0.0229(5) 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
Sn1 O2 2.156(3) 1_655 ?
Sn1 O4 2.141(3) . ?
Sn1 O5 2.115(2) . ?
Sn2 O1 2.461(3) 2_655 ?
Sn2 O1 2.168(2) 4_676 ?
Sn2 O5 2.066(2) . ?
Sn2 F1 2.283(2) . ?
Sn3 O3 2.173(2) . ?
Sn3 O5 2.075(3) . ?
Sn3 F1 2.260(2) . ?
P1 O1 1.559(3) . ?
P1 O2 1.541(3) . ?
P1 O3 1.532(3) . ?
P1 O4 1.534(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
O4 Sn1 O2 90.76(10) . 1_655 ?
O5 Sn1 O2 77.95(9) . 1_655 ?
O5 Sn1 O4 85.42(10) . . ?
O1 Sn2 O1 70.69(10) 4_676 2_655 ?
O1 Sn2 F1 84.92(9) 4_676 . ?
O5 Sn2 O1 91.26(10) . 4_676 ?
O5 Sn2 O1 83.38(9) . 2_655 ?
O5 Sn2 F1 73.20(9) . . ?
F1 Sn2 O1 145.74(8) . 2_655 ?
O3 Sn3 F1 88.67(9) . . ?
O5 Sn3 O3 89.55(10) . . ?
O5 Sn3 F1 73.54(9) . . ?
O2 P1 O1 109.35(15) . . ?
O3 P1 O1 106.52(14) . . ?
O3 P1 O2 109.66(15) . . ?
O3 P1 O4 112.71(15) . . ?
O4 P1 O1 108.02(15) . . ?
O4 P1 O2 110.45(16) . . ?
Sn2 O1 Sn2 109.30(10) 4_575 2_645 ?
P1 O1 Sn2 117.92(13) . 2_645 ?
P1 O1 Sn2 130.08(15) . 4_575 ?
P1 O2 Sn1 131.59(16) . 1_455 ?
P1 O3 Sn3 128.77(15) . . ?
P1 O4 Sn1 133.73(16) . . ?
Sn2 O5 Sn1 123.64(12) . . ?
Sn2 O5 Sn3 113.54(11) . . ?
Sn3 O5 Sn1 117.70(11) . . ?
Sn3 F1 Sn2 99.38(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 P1 O2 Sn1 -89.9(2) . . . 1_455 ?
O1 P1 O3 Sn3 165.80(18) . . . . ?
O1 P1 O4 Sn1 -148.8(2) . . . . ?
O2 P1 O1 Sn2 -143.46(14) . . . 2_645 ?
O2 P1 O1 Sn2 57.3(2) . . . 4_575 ?
O2 P1 O3 Sn3 -76.0(2) . . . . ?
O2 P1 O4 Sn1 91.6(2) . . . . ?
O3 P1 O1 Sn2 175.78(18) . . . 4_575 ?
O3 P1 O1 Sn2 -25.02(18) . . . 2_645 ?
O3 P1 O2 Sn1 153.60(18) . . . 1_455 ?
O3 P1 O4 Sn1 -31.4(3) . . . . ?
O4 P1 O1 Sn2 -62.9(2) . . . 4_575 ?
O4 P1 O1 Sn2 96.30(16) . . . 2_645 ?
O4 P1 O2 Sn1 28.8(3) . . . 1_455 ?
O4 P1 O3 Sn3 47.5(2) . . . . ?

_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_aaa_a
_audit_block_doi                 10.25505/fiz.icsd.cc2jbx3x
_database_code_depnum_ccdc_archive 'CCDC 2334179'
loop_
_audit_author_name
_audit_author_address
'Jingyu GUO'
;Beijing Normal University Zhuhai
China
;
_audit_update_record             
;
2024-02-21 deposited with the CCDC.	2024-06-26 downloaded from the CCDC.
;
_audit_creation_date             2023-09-30
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'F3 O4 P1 Sn3'
_chemical_formula_sum            'F3 O4 P Sn3'
_chemical_formula_weight         508.04
_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
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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'

_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      trigonal
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   11.8537(3)
_cell_length_b                   11.8537(3)
_cell_length_c                   4.6271(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     563.05(4)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    1294
_cell_measurement_temperature    302.0
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      3.44
_shelx_estimated_absorpt_T_max   0.631
_shelx_estimated_absorpt_T_min   0.312
_exptl_absorpt_coefficient_mu    10.136
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6447
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0733 before and 0.0632 after correction.
The Ratio of minimum to maximum transmission is 0.8648.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    4.495
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             672
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0613
_diffrn_reflns_av_unetI/netI     0.0321
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            3648
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.416
_diffrn_reflns_theta_min         3.437
_diffrn_ambient_temperature      302.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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         0.997
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                563
_reflns_number_total             575
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.518
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.127
_refine_ls_abs_structure_details 
;
 Flack x determined using 274 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.04(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     34
_refine_ls_number_reflns         575
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0186
_refine_ls_R_factor_gt           0.0178
_refine_ls_restrained_S_all      1.075
_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)+(0.0150P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0398
_refine_ls_wR_factor_ref         0.0405
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     iterative
_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 0.90520(5) 0.45066(6) 0.1048(3) 0.02065(17) Uani 1 1 d . . . . .
P1 P 0.666667 0.333333 0.6015(7) 0.0150(7) Uani 1 3 d S T P . .
O1 O 0.8081(6) 0.4103(8) 0.5033(12) 0.0282(15) Uani 1 1 d . . . . .
O2 O 0.666667 0.333333 0.938(2) 0.021(2) Uani 1 3 d S T P . .
F1 F 0.8669(6) 0.6010(5) 0.0578(13) 0.0392(15) 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
Sn1 O1 2.099(6) . ?
Sn1 F1 2.058(5) . ?
Sn1 F1 2.264(5) 5_655 ?
P1 O1 1.523(6) 2_655 ?
P1 O1 1.523(6) 3_665 ?
P1 O1 1.523(6) . ?
P1 O2 1.556(10) . ?

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 Sn1 F1 79.3(2) . 5_655 ?
F1 Sn1 O1 87.5(3) . . ?
F1 Sn1 F1 81.5(3) . 5_655 ?
O1 P1 O1 111.5(2) 3_665 . ?
O1 P1 O1 111.5(2) 3_665 2_655 ?
O1 P1 O1 111.5(2) . 2_655 ?
O1 P1 O2 107.4(2) 3_665 . ?
O1 P1 O2 107.4(2) . . ?
O1 P1 O2 107.4(2) 2_655 . ?
P1 O1 Sn1 135.5(4) . . ?
Sn1 F1 Sn1 147.3(3) . 9_664 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 P1 O1 Sn1 56.9(6) 3_665 . . . ?
O1 P1 O1 Sn1 -68.5(6) 2_655 . . . ?
O2 P1 O1 Sn1 174.2(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
