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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1rly_auto
_database_code_depnum_ccdc_archive 'CCDC 2267040'
loop_
_audit_author_name
_audit_author_address
'Liying Ren'
;Sichuan Normal University
China
;
_audit_update_record             
;
2023-06-02 deposited with the CCDC.	2023-08-18 downloaded from the CCDC.
;
_audit_creation_date             2023-06-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C4 H2 K2 O9 Sn'
_chemical_formula_sum            'C4 H2 K2 O9 Sn'
_chemical_formula_weight         390.95
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.43740(10)
_cell_length_b                   6.61500(10)
_cell_length_c                   11.8275(2)
_cell_angle_alpha                95.605(2)
_cell_angle_beta                 93.355(2)
_cell_angle_gamma                101.985(2)
_cell_volume                     488.712(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4991
_cell_measurement_temperature    299.55(10)
_cell_measurement_theta_max      30.9950
_cell_measurement_theta_min      3.1620
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.499
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.657
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             372
_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  0.0273
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.782
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6274
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.782
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.842
_diffrn_reflns_theta_min         3.168
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      299.55(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.782
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -19.00  25.00   0.50    0.05    --   -5.70 -99.00   0.00   88
  2  ω    -14.00  37.00   0.50    0.05    --    4.68 -99.00 -60.00  102
  3  ω      2.00  27.00   0.50    0.05    --   -5.70 -99.00 -90.00   50
  4  ω    -12.00  26.00   0.50    0.05    --   -5.70 -99.00 -30.00   76
  5  ω    -73.00  -9.00   0.50    0.05    --   -5.70 -61.00 138.00  128
  6  ω    -14.00  38.00   0.50    0.05    --    4.68 -99.00 150.00  104
  7  ω    -16.00  66.00   0.50    0.05    --   -5.70  61.00 -83.00  164
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0285908000
_diffrn_orient_matrix_UB_12      0.0771098000
_diffrn_orient_matrix_UB_13      0.0383241000
_diffrn_orient_matrix_UB_21      -0.0785654000
_diffrn_orient_matrix_UB_22      -0.0773165000
_diffrn_orient_matrix_UB_23      0.0199436000
_diffrn_orient_matrix_UB_31      0.0760370000
_diffrn_orient_matrix_UB_32      -0.0156797000
_diffrn_orient_matrix_UB_33      0.0422911000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2263
_reflns_number_total             2410
_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       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.640
_refine_diff_density_min         -1.317
_refine_diff_density_rms         0.194
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2410
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0299
_refine_ls_R_factor_gt           0.0284
_refine_ls_restrained_S_all      1.157
_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)+(0.0404P)²+0.0331P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0718
_refine_ls_wR_factor_ref         0.0725
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 O8(H8A,H8B)
;
_atom_sites_solution_hydrogens   geom
_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 0.74579(3) 0.15898(3) 0.22922(2) 0.02287(9) Uani 1 1 d . . . . .
K1 K 1.25513(10) 1.06005(10) 0.41621(5) 0.02885(16) Uani 1 1 d . . . . .
K2 K 1.01742(12) 0.72929(15) 0.11483(6) 0.03952(19) Uani 1 1 d . . . . .
O1 O 0.6839(3) 0.2467(3) 0.42184(17) 0.0244(4) Uani 1 1 d . . . . .
O2 O 0.6848(3) 0.2482(4) 0.04888(17) 0.0273(5) Uani 1 1 d . . . . .
O3 O 0.8293(4) 0.4904(3) 0.26409(17) 0.0290(5) Uani 1 1 d . . . . .
O4 O 0.4146(3) 0.1827(4) 0.21054(17) 0.0288(5) Uani 1 1 d . . . . .
O5 O 0.8892(4) 0.7699(3) 0.39098(19) 0.0302(5) Uani 1 1 d . . . . .
O6 O 0.7475(4) 0.5216(4) 0.55496(18) 0.0319(5) Uani 1 1 d . . . . .
O7 O 0.4224(3) 0.2782(4) -0.07548(17) 0.0292(5) Uani 1 1 d . . . . .
O8 O 1.3584(4) 0.7406(4) 0.2779(2) 0.0389(6) Uani 1 1 d . . . . .
H8A H 1.3465 0.6131 0.3135 0.058 Uiso 1 1 calc R U . . .
H8B H 1.4970 0.7787 0.2485 0.058 Uiso 1 1 calc R U . . .
O9 O 0.1551(4) 0.2476(6) 0.0969(2) 0.0637(11) Uani 1 1 d . . . . .
C1 C 0.4940(4) 0.2554(4) 0.0202(2) 0.0206(5) Uani 1 1 d . . . . .
C2 C 0.7451(4) 0.4388(4) 0.4564(2) 0.0202(5) Uani 1 1 d . . . . .
C3 C 0.8285(4) 0.5816(5) 0.3652(2) 0.0217(6) Uani 1 1 d . . . . .
C4 C 0.3394(5) 0.2283(5) 0.1164(2) 0.0269(6) 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 K1 3.9419(7) 1_445 ?
Sn1 K1 4.0491(7) 1_545 ?
Sn1 K2 3.8153(9) 1_545 ?
Sn1 O1 2.373(2) . ?
Sn1 O2 2.301(2) . ?
Sn1 O3 2.138(2) . ?
Sn1 O4 2.170(2) . ?
K1 Sn1 3.9419(7) 1_665 ?
K1 K1 3.9160(13) 2_776 ?
K1 K1 3.8879(14) 2_876 ?
K1 O1 2.774(2) 1_665 ?
K1 O1 2.991(2) 2_766 ?
K1 O4 2.822(2) 1_665 ?
K1 O5 2.740(2) 2_776 ?
K1 O5 2.693(2) . ?
K1 O6 2.759(3) 2_776 ?
K1 O8 2.760(2) . ?
K1 C2 3.505(3) 2_776 ?
K1 C3 3.477(3) 2_776 ?
K2 Sn1 3.8154(9) 1_565 ?
K2 K2 3.8298(18) 2_765 ?
K2 O2 2.796(2) 2_765 ?
K2 O3 2.661(2) . ?
K2 O5 3.414(2) . ?
K2 O7 2.832(2) 2_665 ?
K2 O8 2.820(3) . ?
K2 O9 2.711(3) 2_665 ?
K2 O9 3.389(4) 1_665 ?
K2 C3 3.419(3) . ?
K2 C4 3.538(3) 2_665 ?
K2 C4 3.512(3) 1_665 ?
O1 K1 2.991(2) 2_766 ?
O1 K1 2.774(2) 1_445 ?
O1 C2 1.268(3) . ?
O2 K2 2.796(2) 2_765 ?
O2 C1 1.267(3) . ?
O3 C3 1.286(4) . ?
O4 K1 2.822(2) 1_445 ?
O4 C4 1.276(4) . ?
O5 K1 2.740(2) 2_776 ?
O5 C3 1.228(4) . ?
O6 K1 2.759(3) 2_776 ?
O6 C2 1.236(3) . ?
O7 K2 2.832(2) 2_665 ?
O7 C1 1.232(3) . ?
O8 H8A 0.9700 . ?
O8 H8B 0.9700 . ?
O9 K2 3.389(4) 1_445 ?
O9 K2 2.711(3) 2_665 ?
O9 C4 1.230(4) . ?
C1 C4 1.554(4) . ?
C2 K1 3.505(3) 2_776 ?
C2 C3 1.550(4) . ?
C3 K1 3.477(3) 2_776 ?
C4 K2 3.538(3) 2_665 ?
C4 K2 3.512(3) 1_445 ?

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
K1 Sn1 K1 107.325(16) 1_445 1_545 ?
K2 Sn1 K1 123.181(16) 1_545 1_445 ?
K2 Sn1 K1 61.654(15) 1_545 1_545 ?
O1 Sn1 K1 74.69(5) . 1_545 ?
O1 Sn1 K1 43.92(5) . 1_445 ?
O1 Sn1 K2 126.86(5) . 1_545 ?
O2 Sn1 K1 117.14(5) . 1_445 ?
O2 Sn1 K1 135.53(5) . 1_545 ?
O2 Sn1 K2 91.64(6) . 1_545 ?
O2 Sn1 O1 141.47(7) . . ?
O3 Sn1 K1 95.13(6) . 1_545 ?
O3 Sn1 K1 97.84(6) . 1_445 ?
O3 Sn1 K2 136.55(6) . 1_545 ?
O3 Sn1 O1 72.32(7) . . ?
O3 Sn1 O2 80.34(8) . . ?
O3 Sn1 O4 88.03(9) . . ?
O4 Sn1 K1 44.10(6) . 1_445 ?
O4 Sn1 K1 151.31(5) . 1_545 ?
O4 Sn1 K2 130.51(6) . 1_545 ?
O4 Sn1 O1 79.20(7) . . ?
O4 Sn1 O2 73.14(7) . . ?
K1 K1 Sn1 176.13(3) 2_776 1_665 ?
K1 K1 Sn1 71.391(18) 2_876 1_665 ?
K1 K1 K1 111.16(3) 2_876 2_776 ?
O1 K1 Sn1 36.40(4) 1_665 1_665 ?
O1 K1 Sn1 109.37(5) 2_766 1_665 ?
O1 K1 K1 45.27(4) 2_766 2_876 ?
O1 K1 K1 50.00(5) 1_665 2_876 ?
O1 K1 K1 71.77(5) 2_766 2_776 ?
O1 K1 K1 147.48(5) 1_665 2_776 ?
O1 K1 O1 95.26(6) 1_665 2_766 ?
O1 K1 O4 62.43(6) 1_665 1_665 ?
O1 K1 C2 79.07(6) 1_665 2_776 ?
O1 K1 C2 115.24(6) 2_766 2_776 ?
O1 K1 C3 92.08(6) 1_665 2_776 ?
O1 K1 C3 92.31(6) 2_766 2_776 ?
O4 K1 Sn1 32.36(4) 1_665 1_665 ?
O4 K1 K1 144.97(5) 1_665 2_776 ?
O4 K1 K1 103.75(5) 1_665 2_876 ?
O4 K1 O1 137.58(7) 1_665 2_766 ?
O4 K1 C2 96.41(7) 1_665 2_776 ?
O4 K1 C3 122.06(7) 1_665 2_776 ?
O5 K1 Sn1 140.19(5) 2_776 1_665 ?
O5 K1 Sn1 132.01(5) . 1_665 ?
O5 K1 K1 44.37(5) . 2_776 ?
O5 K1 K1 92.93(5) 2_776 2_876 ?
O5 K1 K1 43.40(5) 2_776 2_776 ?
O5 K1 K1 118.22(6) . 2_876 ?
O5 K1 O1 161.48(7) . 1_665 ?
O5 K1 O1 79.23(6) 2_776 2_766 ?
O5 K1 O1 74.64(6) . 2_766 ?
O5 K1 O1 105.86(7) 2_776 1_665 ?
O5 K1 O4 139.22(7) 2_776 1_665 ?
O5 K1 O4 114.86(7) . 1_665 ?
O5 K1 O5 87.76(7) . 2_776 ?
O5 K1 O6 121.08(8) . 2_776 ?
O5 K1 O6 59.73(7) 2_776 2_776 ?
O5 K1 O8 154.28(8) 2_776 . ?
O5 K1 O8 77.36(7) . . ?
O5 K1 C2 43.37(7) 2_776 2_776 ?
O5 K1 C2 119.17(7) . 2_776 ?
O5 K1 C3 103.63(7) . 2_776 ?
O5 K1 C3 18.31(7) 2_776 2_776 ?
O6 K1 Sn1 91.58(5) 2_776 1_665 ?
O6 K1 K1 90.13(6) 2_776 2_776 ?
O6 K1 K1 111.67(6) 2_776 2_876 ?
O6 K1 O1 133.30(6) 2_776 2_766 ?
O6 K1 O1 77.18(7) 2_776 1_665 ?
O6 K1 O4 79.49(7) 2_776 1_665 ?
O6 K1 O8 145.95(8) 2_776 . ?
O6 K1 C2 18.23(6) 2_776 2_776 ?
O6 K1 C3 43.10(7) 2_776 2_776 ?
O8 K1 Sn1 58.61(6) . 1_665 ?
O8 K1 K1 118.69(6) . 2_776 ?
O8 K1 K1 76.34(6) . 2_876 ?
O8 K1 O1 76.67(7) . 2_766 ?
O8 K1 O1 85.28(7) . 1_665 ?
O8 K1 O4 66.50(7) . 1_665 ?
O8 K1 C2 160.98(7) . 2_776 ?
O8 K1 C3 168.34(7) . 2_776 ?
C2 K1 Sn1 102.54(5) 2_776 1_665 ?
C2 K1 K1 101.11(5) 2_776 2_876 ?
C2 K1 K1 80.01(5) 2_776 2_776 ?
C3 K1 Sn1 123.43(5) 2_776 1_665 ?
C3 K1 K1 59.85(5) 2_776 2_776 ?
C3 K1 K1 93.26(5) 2_776 2_876 ?
C3 K1 C2 25.65(7) 2_776 2_776 ?
Sn1 K2 K2 145.07(3) 1_565 2_765 ?
O2 K2 Sn1 127.26(5) 2_765 1_565 ?
O2 K2 K2 60.10(5) 2_765 2_765 ?
O2 K2 O5 151.69(6) 2_765 . ?
O2 K2 O7 126.39(6) 2_765 2_665 ?
O2 K2 O8 87.06(7) 2_765 . ?
O2 K2 O9 77.81(7) 2_765 1_665 ?
O2 K2 C3 152.50(7) 2_765 . ?
O2 K2 C4 66.56(7) 2_765 1_665 ?
O2 K2 C4 84.01(7) 2_765 2_665 ?
O3 K2 Sn1 89.16(5) . 1_565 ?
O3 K2 K2 93.55(6) . 2_765 ?
O3 K2 O2 143.33(8) . 2_765 ?
O3 K2 O5 40.47(6) . . ?
O3 K2 O7 75.08(7) . 2_665 ?
O3 K2 O8 77.98(7) . . ?
O3 K2 O9 135.59(7) . 1_665 ?
O3 K2 O9 124.83(9) . 2_665 ?
O3 K2 C3 19.83(7) . . ?
O3 K2 C4 138.16(7) . 1_665 ?
O3 K2 C4 112.48(7) . 2_665 ?
O5 K2 Sn1 59.21(4) . 1_565 ?
O5 K2 K2 133.85(5) . 2_765 ?
O5 K2 C3 20.70(6) . . ?
O5 K2 C4 122.52(7) . 2_665 ?
O5 K2 C4 98.45(6) . 1_665 ?
O7 K2 Sn1 55.33(5) 2_665 1_565 ?
O7 K2 K2 91.81(5) 2_665 2_765 ?
O7 K2 O5 81.07(6) 2_665 . ?
O7 K2 O9 92.47(7) 2_665 1_665 ?
O7 K2 C3 78.35(6) 2_665 . ?
O7 K2 C4 42.49(6) 2_665 2_665 ?
O7 K2 C4 112.90(8) 2_665 1_665 ?
O8 K2 Sn1 105.12(5) . 1_565 ?
O8 K2 K2 109.51(6) . 2_765 ?
O8 K2 O5 65.47(6) . . ?
O8 K2 O7 146.49(7) . 2_665 ?
O8 K2 O9 93.00(7) . 1_665 ?
O8 K2 C3 69.66(7) . . ?
O8 K2 C4 169.53(8) . 2_665 ?
O8 K2 C4 75.75(7) . 1_665 ?
O9 K2 Sn1 50.96(5) 1_665 1_565 ?
O9 K2 Sn1 88.86(8) 2_665 1_565 ?
O9 K2 K2 61.30(9) 2_665 2_765 ?
O9 K2 K2 129.87(6) 1_665 2_765 ?
O9 K2 O2 67.20(7) 2_665 2_765 ?
O9 K2 O5 139.38(7) 2_665 . ?
O9 K2 O5 96.10(6) 1_665 . ?
O9 K2 O7 59.20(7) 2_665 2_665 ?
O9 K2 O8 154.03(8) 2_665 . ?
O9 K2 O9 78.76(11) 2_665 1_665 ?
O9 K2 C3 116.60(7) 1_665 . ?
O9 K2 C3 136.01(7) 2_665 . ?
O9 K2 C4 79.80(7) 1_665 2_665 ?
O9 K2 C4 20.44(7) 1_665 1_665 ?
O9 K2 C4 90.22(10) 2_665 1_665 ?
O9 K2 C4 16.92(7) 2_665 2_665 ?
C3 K2 Sn1 74.78(5) . 1_565 ?
C3 K2 K2 113.18(6) . 2_765 ?
C3 K2 C4 120.34(7) . 2_665 ?
C3 K2 C4 118.59(7) . 1_665 ?
C4 K2 Sn1 76.30(5) 2_665 1_565 ?
C4 K2 Sn1 67.38(6) 1_665 1_565 ?
C4 K2 K2 70.50(6) 2_665 2_765 ?
C4 K2 K2 125.75(6) 1_665 2_765 ?
C4 K2 C4 95.62(7) 1_665 2_665 ?
Sn1 O1 K1 99.69(7) . 1_445 ?
Sn1 O1 K1 116.34(8) . 2_766 ?
K1 O1 K1 84.74(6) 1_445 2_766 ?
C2 O1 Sn1 113.94(17) . . ?
C2 O1 K1 119.45(18) . 1_445 ?
C2 O1 K1 118.12(16) . 2_766 ?
Sn1 O2 K2 123.81(8) . 2_765 ?
C1 O2 Sn1 115.50(18) . . ?
C1 O2 K2 119.80(17) . 2_765 ?
Sn1 O3 K2 121.82(9) . . ?
C3 O3 Sn1 121.34(19) . . ?
C3 O3 K2 115.60(18) . . ?
Sn1 O4 K1 103.54(8) . 1_445 ?
C4 O4 Sn1 119.24(19) . . ?
C4 O4 K1 136.97(19) . 1_445 ?
K1 O5 K1 92.24(7) . 2_776 ?
K1 O5 K2 157.30(9) 2_776 . ?
K1 O5 K2 81.79(6) . . ?
C3 O5 K1 139.0(2) . . ?
C3 O5 K1 117.18(19) . 2_776 ?
C3 O5 K2 79.89(17) . . ?
C2 O6 K1 117.5(2) . 2_776 ?
C1 O7 K2 119.33(19) . 2_665 ?
K1 O8 K2 92.61(8) . . ?
K1 O8 H8A 113.2 . . ?
K1 O8 H8B 113.2 . . ?
K2 O8 H8A 113.2 . . ?
K2 O8 H8B 113.2 . . ?
H8A O8 H8B 110.5 . . ?
K2 O9 K2 101.24(11) 2_665 1_445 ?
C4 O9 K2 123.2(2) . 2_665 ?
C4 O9 K2 85.4(3) . 1_445 ?
O2 C1 C4 115.4(2) . . ?
O7 C1 O2 126.1(3) . . ?
O7 C1 C4 118.5(3) . . ?
O1 C2 K1 160.97(19) . 2_776 ?
O1 C2 C3 115.9(2) . . ?
O6 C2 K1 44.27(16) . 2_776 ?
O6 C2 O1 126.7(3) . . ?
O6 C2 C3 117.4(3) . . ?
C3 C2 K1 76.17(15) . 2_776 ?
K2 C3 K1 122.12(9) . 2_776 ?
O3 C3 K1 160.0(2) . 2_776 ?
O3 C3 K2 44.57(14) . . ?
O3 C3 C2 116.0(2) . . ?
O5 C3 K1 44.51(15) . 2_776 ?
O5 C3 K2 79.41(17) . . ?
O5 C3 O3 123.7(3) . . ?
O5 C3 C2 120.3(3) . . ?
C2 C3 K1 78.19(15) . 2_776 ?
C2 C3 K2 159.69(19) . . ?
K2 C4 K2 84.38(7) 1_445 2_665 ?
O4 C4 K2 81.43(19) . 1_445 ?
O4 C4 K2 162.2(2) . 2_665 ?
O4 C4 C1 116.4(3) . . ?
O9 C4 K2 74.1(2) . 1_445 ?
O9 C4 K2 39.88(16) . 2_665 ?
O9 C4 O4 124.7(3) . . ?
O9 C4 C1 119.0(3) . . ?
C1 C4 K2 115.83(18) . 1_445 ?
C1 C4 K2 79.65(15) . 2_665 ?

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
Sn1 O1 C2 K1 131.8(5) . . . 2_776 ?
Sn1 O1 C2 O6 -173.5(2) . . . . ?
Sn1 O1 C2 C3 5.4(3) . . . . ?
Sn1 O2 C1 O7 -171.9(2) . . . . ?
Sn1 O2 C1 C4 6.9(3) . . . . ?
Sn1 O3 C3 K1 -137.6(5) . . . 2_776 ?
Sn1 O3 C3 K2 167.5(3) . . . . ?
Sn1 O3 C3 O5 174.8(2) . . . . ?
Sn1 O3 C3 C2 -5.1(3) . . . . ?
Sn1 O4 C4 K2 154.5(6) . . . 2_665 ?
Sn1 O4 C4 K2 116.81(16) . . . 1_445 ?
Sn1 O4 C4 O9 -179.3(3) . . . . ?
Sn1 O4 C4 C1 2.2(4) . . . . ?
K1 O1 C2 K1 14.3(7) 1_445 . . 2_776 ?
K1 O1 C2 K1 -86.2(6) 2_766 . . 2_776 ?
K1 O1 C2 O6 68.9(3) 1_445 . . . ?
K1 O1 C2 O6 -31.6(4) 2_766 . . . ?
K1 O1 C2 C3 -112.1(2) 1_445 . . . ?
K1 O1 C2 C3 147.35(17) 2_766 . . . ?
K1 O4 C4 K2 -56.3(3) 1_445 . . 1_445 ?
K1 O4 C4 K2 -18.7(10) 1_445 . . 2_665 ?
K1 O4 C4 O9 7.5(6) 1_445 . . . ?
K1 O4 C4 C1 -170.99(19) 1_445 . . . ?
K1 O5 C3 K1 131.1(3) . . . 2_776 ?
K1 O5 C3 K2 164.12(14) 2_776 . . . ?
K1 O5 C3 K2 -64.8(2) . . . . ?
K1 O5 C3 O3 -70.0(4) . . . . ?
K1 O5 C3 O3 158.9(2) 2_776 . . . ?
K1 O5 C3 C2 109.9(3) . . . . ?
K1 O5 C3 C2 -21.2(3) 2_776 . . . ?
K1 O6 C2 O1 -157.6(2) 2_776 . . . ?
K1 O6 C2 C3 23.5(3) 2_776 . . . ?
K1 C2 C3 K2 179.8(5) 2_776 . . . ?
K1 C2 C3 O3 -165.1(2) 2_776 . . . ?
K1 C2 C3 O5 15.0(2) 2_776 . . . ?
K2 O2 C1 O7 -2.3(4) 2_765 . . . ?
K2 O2 C1 C4 176.48(18) 2_765 . . . ?
K2 O3 C3 K1 54.9(6) . . . 2_776 ?
K2 O3 C3 O5 7.3(4) . . . . ?
K2 O3 C3 C2 -172.60(17) . . . . ?
K2 O5 C3 K1 -164.12(14) . . . 2_776 ?
K2 O5 C3 O3 -5.2(3) . . . . ?
K2 O5 C3 C2 174.7(2) . . . . ?
K2 O7 C1 O2 177.4(2) 2_665 . . . ?
K2 O7 C1 C4 -1.4(3) 2_665 . . . ?
K2 O9 C4 K2 100.4(3) 1_445 . . 2_665 ?
K2 O9 C4 K2 -100.4(3) 2_665 . . 1_445 ?
K2 O9 C4 O4 -67.4(4) 1_445 . . . ?
K2 O9 C4 O4 -167.8(3) 2_665 . . . ?
K2 O9 C4 C1 111.1(3) 1_445 . . . ?
K2 O9 C4 C1 10.7(5) 2_665 . . . ?
O1 C2 C3 K1 164.3(2) . . . 2_776 ?
O1 C2 C3 K2 -15.9(6) . . . . ?
O1 C2 C3 O3 -0.8(4) . . . . ?
O1 C2 C3 O5 179.3(3) . . . . ?
O2 C1 C4 K2 -99.4(2) . . . 1_445 ?
O2 C1 C4 K2 -177.9(2) . . . 2_665 ?
O2 C1 C4 O4 -6.3(4) . . . . ?
O2 C1 C4 O9 175.1(3) . . . . ?
O6 C2 C3 K1 -16.7(2) . . . 2_776 ?
O6 C2 C3 K2 163.1(4) . . . . ?
O6 C2 C3 O3 178.2(3) . . . . ?
O6 C2 C3 O5 -1.7(4) . . . . ?
O7 C1 C4 K2 1.0(2) . . . 2_665 ?
O7 C1 C4 K2 79.5(3) . . . 1_445 ?
O7 C1 C4 O4 172.6(3) . . . . ?
O7 C1 C4 O9 -6.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.476
_oxdiff_exptl_absorpt_empirical_full_min 0.686
####################################################################### 
# 
# 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_12rly_auto
_database_code_depnum_ccdc_archive 'CCDC 2267041'
loop_
_audit_author_name
_audit_author_address
'Liying Ren'
;Sichuan Normal University
China
;
_audit_update_record             
;
2023-06-02 deposited with the CCDC.	2023-08-18 downloaded from the CCDC.
;
_audit_creation_date             2023-03-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C4 H2 F2 K2 O9 Sn2'
_chemical_formula_sum            'C4 H2 F2 K2 O9 Sn2'
_chemical_formula_weight         547.64
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
O O 0.0106 0.0060 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.2509(2)
_cell_length_b                   9.3149(2)
_cell_length_c                   12.4438(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.397(2)
_cell_angle_gamma                90
_cell_volume                     1184.71(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11228
_cell_measurement_temperature    302.59(10)
_cell_measurement_theta_max      31.0550
_cell_measurement_theta_min      2.0410
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.984
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.070
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1016
_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  0.0221
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.841
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14508
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.841
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.829
_diffrn_reflns_theta_min         1.993
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      302.59(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -17.00  68.00   0.50    0.20    --    4.52  77.00 120.00  170
  2  ω     -4.00  75.00   0.50    0.20    --    4.52  37.00  60.00  158
  3  ω     -2.00  24.00   0.50    0.20    --    4.52  77.00-180.00   52
  4  ω     27.00  76.00   0.50    0.20    --    4.52  77.00-180.00   98
  5  ω    -16.00  36.00   0.50    0.20    --    4.52 -99.00 -30.00  104
  6  ω    -21.00  38.00   0.50    0.20    --    4.52 -99.00 -60.00  118
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0680905000
_diffrn_orient_matrix_UB_12      -0.0003723000
_diffrn_orient_matrix_UB_13      0.0067131000
_diffrn_orient_matrix_UB_21      -0.0132223000
_diffrn_orient_matrix_UB_22      0.0135767000
_diffrn_orient_matrix_UB_23      -0.0558567000
_diffrn_orient_matrix_UB_31      -0.0020999000
_diffrn_orient_matrix_UB_32      -0.0749256000
_diffrn_orient_matrix_UB_33      -0.0101691000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2913
_reflns_number_total             3118
_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       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.202
_refine_diff_density_min         -0.971
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         3118
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0188
_refine_ls_restrained_S_all      0.995
_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)+(0.0303P)²+0.6674P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0475
_refine_ls_wR_factor_ref         0.0489
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O9(H9A,H9B)
;
_atom_sites_solution_hydrogens   difmap
_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 0.13547(2) 0.80889(2) 0.49879(2) 0.02100(5) Uani 1 1 d . . . . .
Sn2 Sn 0.52006(2) 0.65138(2) 0.89066(2) 0.01990(5) Uani 1 1 d . . . . .
K1 K 0.65628(5) 0.96417(6) 1.08908(4) 0.02768(11) Uani 1 1 d . . . . .
K2 K -0.02120(6) 0.50202(8) 0.31525(6) 0.04250(16) Uani 1 1 d . . . . .
F1 F 0.55900(14) 0.86671(14) 0.89595(11) 0.0248(3) Uani 1 1 d . . . . .
F2 F 0.12212(13) 0.59329(15) 0.48469(12) 0.0283(3) Uani 1 1 d . . . . .
O1 O 0.72304(16) 0.6211(2) 0.82300(14) 0.0280(4) Uani 1 1 d . . . . .
O2 O 0.49200(15) 0.69514(19) 0.70881(13) 0.0251(3) Uani 1 1 d . . . . .
O3 O 0.29345(16) 0.77088(19) 0.82880(13) 0.0246(3) Uani 1 1 d . . . . .
O4 O 0.36029(16) 0.7284(2) 0.56032(13) 0.0297(4) Uani 1 1 d . . . . .
O5 O 0.70759(16) 0.68308(19) 1.03366(14) 0.0262(4) Uani 1 1 d . . . . .
O6 O 0.15666(15) 0.7779(2) 0.68109(13) 0.0257(3) Uani 1 1 d . . . . .
O7 O 0.93652(18) 0.6722(2) 0.84067(16) 0.0357(4) Uani 1 1 d . . . . .
O8 O 0.92168(17) 0.7241(2) 1.05336(16) 0.0383(5) Uani 1 1 d . . . . .
O9 O -0.27242(18) 0.5487(2) 0.24617(16) 0.0352(4) Uani 1 1 d . . . . .
H9A H -0.2759 0.6077 0.1939 0.053 Uiso 1 1 d R U . . .
H9B H -0.3107 0.5916 0.2952 0.053 Uiso 1 1 d R U . . .
C1 C 0.3832(2) 0.7246(2) 0.66014(18) 0.0197(4) Uani 1 1 d . . . . .
C2 C 0.8270(2) 0.6590(2) 0.87637(19) 0.0219(4) Uani 1 1 d . . . . .
C3 C 0.8187(2) 0.6913(2) 0.99836(19) 0.0212(4) Uani 1 1 d . . . . .
C4 C 0.2678(2) 0.7604(2) 0.73021(17) 0.0191(4) 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 K1 4.0524(5) 2_646 ?
Sn1 K2 3.9409(8) 3_566 ?
Sn1 K2 3.9248(6) . ?
Sn1 F2 2.0197(14) . ?
Sn1 O4 2.4877(17) . ?
Sn1 O6 2.2806(17) . ?
Sn1 O8 2.3637(18) 4_475 ?
Sn2 K1 4.0008(5) . ?
Sn2 K1 4.0280(6) 3_677 ?
Sn2 F1 2.0451(13) . ?
Sn2 O1 2.3209(17) . ?
Sn2 O2 2.2957(17) . ?
Sn2 O5 2.5347(18) . ?
K1 K1 3.8127(11) 3_677 ?
K1 F1 2.6883(15) . ?
K1 F1 2.7294(15) 3_677 ?
K1 F2 2.7874(15) 2_656 ?
K1 O1 3.0442(18) 4_576 ?
K1 O2 2.7644(17) 4_576 ?
K1 O3 2.7055(18) 3_677 ?
K1 O4 3.082(2) 2_656 ?
K1 O5 2.7683(19) . ?
K1 C1 3.477(2) 4_576 ?
K1 C3 3.285(2) . ?
K1 C4 3.460(2) 3_677 ?
K2 Sn1 3.9408(8) 3_566 ?
K2 K1 3.8538(8) 2_646 ?
K2 F2 2.9071(16) 3_566 ?
K2 F2 2.6177(16) . ?
K2 O6 2.9560(19) 3_566 ?
K2 O6 3.2834(18) 4_575 ?
K2 O7 3.085(2) 4_475 ?
K2 O7 2.722(2) 3_666 ?
K2 O8 3.187(2) 2_646 ?
K2 O9 2.687(2) . ?
K2 H9A 3.0764 . ?
K2 H9B 3.0746 . ?
K2 C4 3.531(2) 3_566 ?
F1 K1 2.7293(15) 3_677 ?
F2 K1 2.7874(15) 2_646 ?
F2 K2 2.9071(16) 3_566 ?
O1 K1 3.0442(18) 4_575 ?
O1 C2 1.262(3) . ?
O2 K1 2.7645(17) 4_575 ?
O2 C1 1.258(3) . ?
O3 K1 2.7055(18) 3_677 ?
O3 C4 1.239(3) . ?
O4 K1 3.082(2) 2_646 ?
O4 C1 1.247(3) . ?
O5 C3 1.254(3) . ?
O6 K2 2.9560(19) 3_566 ?
O6 K2 3.2834(18) 4_576 ?
O6 C4 1.262(3) . ?
O7 K2 2.722(2) 3_666 ?
O7 K2 3.085(2) 4_676 ?
O7 C2 1.245(3) . ?
O8 Sn1 2.3637(17) 4_676 ?
O8 K2 3.187(2) 2_656 ?
O8 C3 1.251(3) . ?
O9 H9A 0.8502 . ?
O9 H9B 0.8501 . ?
C1 K1 3.477(2) 4_575 ?
C1 C4 1.558(3) . ?
C2 C3 1.556(3) . ?
C4 K1 3.460(2) 3_677 ?
C4 K2 3.531(2) 3_566 ?

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
K2 Sn1 K1 57.751(12) . 2_646 ?
K2 Sn1 K1 76.265(12) 3_566 2_646 ?
K2 Sn1 K2 71.317(17) . 3_566 ?
F2 Sn1 K1 38.94(4) . 2_646 ?
F2 Sn1 K2 37.18(4) . . ?
F2 Sn1 K2 45.49(4) . 3_566 ?
F2 Sn1 O4 77.42(6) . . ?
F2 Sn1 O6 87.77(6) . . ?
F2 Sn1 O8 80.64(7) . 4_475 ?
O4 Sn1 K1 49.42(4) . 2_646 ?
O4 Sn1 K2 106.72(5) . . ?
O4 Sn1 K2 84.71(4) . 3_566 ?
O6 Sn1 K1 98.98(4) . 2_646 ?
O6 Sn1 K2 119.35(5) . . ?
O6 Sn1 K2 48.15(5) . 3_566 ?
O6 Sn1 O4 68.92(5) . . ?
O6 Sn1 O8 73.59(6) . 4_475 ?
O8 Sn1 K1 119.58(6) 4_475 2_646 ?
O8 Sn1 K2 74.06(6) 4_475 . ?
O8 Sn1 K2 53.97(5) 4_475 3_566 ?
O8 Sn1 O4 136.87(6) 4_475 . ?
K1 Sn2 K1 56.702(14) . 3_677 ?
F1 Sn2 K1 37.62(4) . . ?
F1 Sn2 K1 38.14(4) . 3_677 ?
F1 Sn2 O1 87.28(6) . . ?
F1 Sn2 O2 82.36(6) . . ?
F1 Sn2 O5 74.19(6) . . ?
O1 Sn2 K1 91.84(5) . . ?
O1 Sn2 K1 123.35(5) . 3_677 ?
O1 Sn2 O5 67.42(6) . . ?
O2 Sn2 K1 83.16(4) . 3_677 ?
O2 Sn2 K1 119.37(5) . . ?
O2 Sn2 O1 73.26(6) . . ?
O2 Sn2 O5 134.61(6) . . ?
O5 Sn2 K1 43.27(4) . . ?
O5 Sn2 K1 99.92(4) . 3_677 ?
F1 K1 K1 45.71(3) . 3_677 ?
F1 K1 K1 44.83(3) 3_677 3_677 ?
F1 K1 F1 90.54(4) . 3_677 ?
F1 K1 F2 96.15(5) . 2_656 ?
F1 K1 F2 117.19(5) 3_677 2_656 ?
F1 K1 O1 102.07(5) 3_677 4_576 ?
F1 K1 O1 143.85(5) . 4_576 ?
F1 K1 O2 95.79(5) . 4_576 ?
F1 K1 O2 75.16(5) 3_677 4_576 ?
F1 K1 O3 133.83(5) . 3_677 ?
F1 K1 O4 64.70(4) 3_677 2_656 ?
F1 K1 O4 74.39(5) . 2_656 ?
F1 K1 O5 61.47(5) . . ?
F1 K1 O5 137.14(5) 3_677 . ?
F1 K1 C1 66.65(5) 3_677 4_576 ?
F1 K1 C1 78.81(5) . 4_576 ?
F1 K1 C3 154.64(5) 3_677 . ?
F1 K1 C3 66.08(5) . . ?
F1 K1 C4 70.76(5) 3_677 3_677 ?
F1 K1 C4 151.74(5) . 3_677 ?
F2 K1 K1 113.74(4) 2_656 3_677 ?
F2 K1 O1 107.36(5) 2_656 4_576 ?
F2 K1 O4 57.67(4) 2_656 2_656 ?
F2 K1 C1 173.90(5) 2_656 4_576 ?
F2 K1 C3 76.90(5) 2_656 . ?
F2 K1 C4 75.28(5) 2_656 3_677 ?
O1 K1 K1 135.97(4) 4_576 3_677 ?
O1 K1 O4 141.57(5) 4_576 2_656 ?
O1 K1 C1 75.60(5) 4_576 4_576 ?
O1 K1 C3 92.52(6) 4_576 . ?
O1 K1 C4 63.21(5) 4_576 3_677 ?
O2 K1 K1 83.56(4) 4_576 3_677 ?
O2 K1 F2 162.68(5) 4_576 2_656 ?
O2 K1 O1 56.37(5) 4_576 4_576 ?
O2 K1 O4 138.27(5) 4_576 2_656 ?
O2 K1 O5 76.22(5) 4_576 . ?
O2 K1 C1 19.25(5) 4_576 4_576 ?
O2 K1 C3 96.64(6) 4_576 . ?
O2 K1 C4 99.42(5) 4_576 3_677 ?
O3 K1 K1 100.79(4) 3_677 3_677 ?
O3 K1 F1 65.12(5) 3_677 3_677 ?
O3 K1 F2 66.07(5) 3_677 2_656 ?
O3 K1 O1 81.64(5) 3_677 4_576 ?
O3 K1 O2 113.10(5) 3_677 4_576 ?
O3 K1 O4 59.95(5) 3_677 2_656 ?
O3 K1 O5 157.30(5) 3_677 . ?
O3 K1 C1 119.93(5) 3_677 4_576 ?
O3 K1 C3 138.47(6) 3_677 . ?
O3 K1 C4 18.47(5) 3_677 3_677 ?
O4 K1 K1 60.29(3) 2_656 3_677 ?
O4 K1 C1 123.31(5) 2_656 4_576 ?
O4 K1 C3 114.62(6) 2_656 . ?
O4 K1 C4 78.41(5) 2_656 3_677 ?
O5 K1 K1 100.83(4) . 3_677 ?
O5 K1 F2 98.67(5) . 2_656 ?
O5 K1 O1 87.61(5) . 4_576 ?
O5 K1 O4 127.44(5) . 2_656 ?
O5 K1 C1 75.95(5) . 4_576 ?
O5 K1 C3 21.84(5) . . ?
O5 K1 C4 145.64(6) . 3_677 ?
C1 K1 K1 65.12(4) 4_576 3_677 ?
C3 K1 K1 111.16(5) . 3_677 ?
C3 K1 C1 97.78(6) . 4_576 ?
C3 K1 C4 134.60(6) . 3_677 ?
C4 K1 K1 112.65(4) 3_677 3_677 ?
C4 K1 C1 110.79(5) 3_677 4_576 ?
Sn1 K2 Sn1 108.683(17) . 3_566 ?
Sn1 K2 H9A 110.3 . . ?
Sn1 K2 H9A 104.1 3_566 . ?
Sn1 K2 H9B 85.3 3_566 . ?
Sn1 K2 H9B 101.5 . . ?
K1 K2 Sn1 94.391(18) 2_646 3_566 ?
K1 K2 Sn1 62.786(12) 2_646 . ?
K1 K2 H9A 161.5 2_646 . ?
K1 K2 H9B 163.3 2_646 . ?
F2 K2 Sn1 29.70(3) 3_566 3_566 ?
F2 K2 Sn1 27.79(3) . . ?
F2 K2 Sn1 86.53(4) . 3_566 ?
F2 K2 Sn1 83.15(3) 3_566 . ?
F2 K2 K1 96.22(3) 3_566 2_646 ?
F2 K2 K1 46.32(3) . 2_646 ?
F2 K2 F2 67.91(5) . 3_566 ?
F2 K2 O6 84.69(5) . 4_575 ?
F2 K2 O6 61.25(4) 3_566 3_566 ?
F2 K2 O6 150.93(5) 3_566 4_575 ?
F2 K2 O6 120.62(5) . 3_566 ?
F2 K2 O7 70.88(5) . 4_475 ?
F2 K2 O7 98.66(5) 3_566 4_475 ?
F2 K2 O7 125.30(6) . 3_666 ?
F2 K2 O8 55.50(5) 3_566 2_646 ?
F2 K2 O8 73.31(5) . 2_646 ?
F2 K2 O9 132.07(6) . . ?
F2 K2 H9A 100.0 3_566 . ?
F2 K2 H9A 134.0 . . ?
F2 K2 H9B 117.1 . . ?
F2 K2 H9B 75.4 3_566 . ?
F2 K2 C4 134.80(5) . 3_566 ?
F2 K2 C4 68.18(5) 3_566 3_566 ?
O6 K2 Sn1 143.63(4) 3_566 . ?
O6 K2 Sn1 67.84(3) 4_575 . ?
O6 K2 Sn1 163.55(4) 4_575 3_566 ?
O6 K2 Sn1 35.08(3) 3_566 3_566 ?
O6 K2 K1 111.13(4) 3_566 2_646 ?
O6 K2 K1 69.54(3) 4_575 2_646 ?
O6 K2 O6 146.97(4) 3_566 4_575 ?
O6 K2 O7 142.77(5) 3_566 4_475 ?
O6 K2 O8 53.70(5) 3_566 2_646 ?
O6 K2 H9A 84.7 3_566 . ?
O6 K2 H9A 92.0 4_575 . ?
O6 K2 H9B 77.8 3_566 . ?
O6 K2 H9B 111.1 4_575 . ?
O6 K2 C4 140.31(5) 4_575 3_566 ?
O6 K2 C4 20.02(5) 3_566 3_566 ?
O7 K2 Sn1 135.26(5) 3_666 . ?
O7 K2 Sn1 127.75(4) 4_475 3_566 ?
O7 K2 Sn1 43.81(4) 4_475 . ?
O7 K2 Sn1 96.08(5) 3_666 3_566 ?
O7 K2 K1 79.08(5) 3_666 2_646 ?
O7 K2 K1 101.48(4) 4_475 2_646 ?
O7 K2 F2 125.61(6) 3_666 3_566 ?
O7 K2 O6 61.69(5) 4_475 4_575 ?
O7 K2 O6 70.19(5) 3_666 3_566 ?
O7 K2 O6 77.87(5) 3_666 4_575 ?
O7 K2 O7 135.60(5) 3_666 4_475 ?
O7 K2 O8 76.97(6) 3_666 2_646 ?
O7 K2 O8 142.02(6) 4_475 2_646 ?
O7 K2 H9A 98.4 3_666 . ?
O7 K2 H9A 67.4 4_475 . ?
O7 K2 H9B 117.6 3_666 . ?
O7 K2 H9B 66.4 4_475 . ?
O7 K2 C4 126.36(5) 4_475 3_566 ?
O7 K2 C4 74.73(6) 3_666 3_566 ?
O8 K2 Sn1 36.85(3) 2_646 3_566 ?
O8 K2 Sn1 101.09(4) 2_646 . ?
O8 K2 K1 60.15(4) 2_646 2_646 ?
O8 K2 O6 126.84(5) 2_646 4_575 ?
O8 K2 H9A 137.6 2_646 . ?
O8 K2 H9B 122.1 2_646 . ?
O8 K2 C4 73.56(5) 2_646 3_566 ?
O9 K2 Sn1 114.06(5) . . ?
O9 K2 Sn1 89.20(5) . 3_566 ?
O9 K2 K1 175.85(5) . 2_646 ?
O9 K2 F2 85.88(5) . 3_566 ?
O9 K2 O6 106.99(6) . 4_575 ?
O9 K2 O6 73.02(5) . 3_566 ?
O9 K2 O7 102.63(6) . 3_666 ?
O9 K2 O7 74.62(6) . 4_475 ?
O9 K2 O8 123.83(6) . 2_646 ?
O9 K2 H9A 15.1 . . ?
O9 K2 H9B 15.1 . . ?
O9 K2 C4 53.41(6) . 3_566 ?
H9A K2 H9B 25.2 . . ?
C4 K2 Sn1 49.00(4) 3_566 3_566 ?
C4 K2 Sn1 148.59(4) 3_566 . ?
C4 K2 K1 130.71(4) 3_566 2_646 ?
C4 K2 H9A 64.7 3_566 . ?
C4 K2 H9B 60.0 3_566 . ?
Sn2 F1 K1 114.71(6) . . ?
Sn2 F1 K1 114.29(6) . 3_677 ?
K1 F1 K1 89.46(4) . 3_677 ?
Sn1 F2 K1 113.97(6) . 2_646 ?
Sn1 F2 K2 115.03(7) . . ?
Sn1 F2 K2 104.80(6) . 3_566 ?
K1 F2 K2 120.18(5) 2_646 3_566 ?
K2 F2 K1 90.91(5) . 2_646 ?
K2 F2 K2 112.08(5) . 3_566 ?
Sn2 O1 K1 103.68(6) . 4_575 ?
C2 O1 Sn2 121.29(15) . . ?
C2 O1 K1 134.04(14) . 4_575 ?
Sn2 O2 K1 113.61(6) . 4_575 ?
C1 O2 Sn2 123.56(14) . . ?
C1 O2 K1 114.32(14) . 4_575 ?
C4 O3 K1 117.75(15) . 3_677 ?
Sn1 O4 K1 92.76(5) . 2_646 ?
C1 O4 Sn1 114.50(14) . . ?
C1 O4 K1 125.13(16) . 2_646 ?
Sn2 O5 K1 97.86(6) . . ?
C3 O5 Sn2 114.94(15) . . ?
C3 O5 K1 102.97(14) . . ?
Sn1 O6 K2 114.36(6) . 4_576 ?
Sn1 O6 K2 96.78(6) . 3_566 ?
K2 O6 K2 105.25(5) 3_566 4_576 ?
C4 O6 Sn1 120.78(14) . . ?
C4 O6 K2 110.51(13) . 4_576 ?
C4 O6 K2 106.66(14) . 3_566 ?
K2 O7 K2 117.28(6) 3_666 4_676 ?
C2 O7 K2 122.77(17) . 3_666 ?
C2 O7 K2 105.74(15) . 4_676 ?
Sn1 O8 K2 89.18(6) 4_676 2_656 ?
C3 O8 Sn1 124.96(15) . 4_676 ?
C3 O8 K2 134.62(16) . 2_656 ?
K2 O9 H9A 109.4 . . ?
K2 O9 H9B 109.3 . . ?
H9A O9 H9B 104.5 . . ?
O2 C1 K1 46.43(11) . 4_575 ?
O2 C1 C4 117.40(19) . . ?
O4 C1 K1 81.67(13) . 4_575 ?
O4 C1 O2 125.3(2) . . ?
O4 C1 C4 117.27(19) . . ?
C4 C1 K1 155.64(15) . 4_575 ?
O1 C2 C3 117.4(2) . . ?
O7 C2 O1 126.0(2) . . ?
O7 C2 C3 116.6(2) . . ?
O5 C3 K1 55.19(12) . . ?
O5 C3 C2 116.7(2) . . ?
O8 C3 K1 92.96(14) . . ?
O8 C3 O5 125.0(2) . . ?
O8 C3 C2 118.3(2) . . ?
C2 C3 K1 123.49(14) . . ?
K1 C4 K2 137.72(7) 3_677 3_566 ?
O3 C4 K1 43.78(12) . 3_677 ?
O3 C4 K2 107.93(14) . 3_566 ?
O3 C4 O6 125.8(2) . . ?
O3 C4 C1 117.31(19) . . ?
O6 C4 K1 111.64(14) . 3_677 ?
O6 C4 K2 53.32(12) . 3_566 ?
O6 C4 C1 116.91(19) . . ?
C1 C4 K1 112.34(13) . 3_677 ?
C1 C4 K2 109.07(13) . 3_566 ?

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
Sn1 O4 C1 K1 167.52(11) . . . 4_575 ?
Sn1 O4 C1 O2 -175.74(19) . . . . ?
Sn1 O4 C1 C4 3.7(3) . . . . ?
Sn1 O6 C4 K1 117.06(12) . . . 3_677 ?
Sn1 O6 C4 K2 -108.76(15) . . . 3_566 ?
Sn1 O6 C4 O3 164.88(18) . . . . ?
Sn1 O6 C4 C1 -14.2(3) . . . . ?
Sn1 O8 C3 K1 -145.59(15) 4_676 . . . ?
Sn1 O8 C3 O5 165.85(18) 4_676 . . . ?
Sn1 O8 C3 C2 -14.6(3) 4_676 . . . ?
Sn2 O1 C2 O7 -165.89(19) . . . . ?
Sn2 O1 C2 C3 14.6(3) . . . . ?
Sn2 O2 C1 K1 -145.8(2) . . . 4_575 ?
Sn2 O2 C1 O4 -168.96(18) . . . . ?
Sn2 O2 C1 C4 11.6(3) . . . . ?
Sn2 O5 C3 K1 105.18(13) . . . . ?
Sn2 O5 C3 O8 170.9(2) . . . . ?
Sn2 O5 C3 C2 -8.6(3) . . . . ?
K1 O1 C2 O7 0.7(4) 4_575 . . . ?
K1 O1 C2 C3 -178.81(14) 4_575 . . . ?
K1 O2 C1 O4 -23.2(3) 4_575 . . . ?
K1 O2 C1 C4 157.38(15) 4_575 . . . ?
K1 O3 C4 K2 -141.83(8) 3_677 . . 3_566 ?
K1 O3 C4 O6 -84.6(3) 3_677 . . . ?
K1 O3 C4 C1 94.6(2) 3_677 . . . ?
K1 O4 C1 K1 54.86(12) 2_646 . . 4_575 ?
K1 O4 C1 O2 71.6(3) 2_646 . . . ?
K1 O4 C1 C4 -108.95(19) 2_646 . . . ?
K1 O5 C3 O8 65.7(3) . . . . ?
K1 O5 C3 C2 -113.76(18) . . . . ?
K1 C1 C4 K1 97.3(3) 4_575 . . 3_677 ?
K1 C1 C4 K2 -73.9(3) 4_575 . . 3_566 ?
K1 C1 C4 O3 49.1(4) 4_575 . . . ?
K1 C1 C4 O6 -131.7(3) 4_575 . . . ?
K2 O6 C4 K1 -134.18(8) 3_566 . . 3_677 ?
K2 O6 C4 K1 -20.28(15) 4_576 . . 3_677 ?
K2 O6 C4 K2 113.90(11) 4_576 . . 3_566 ?
K2 O6 C4 O3 27.5(3) 4_576 . . . ?
K2 O6 C4 O3 -86.4(2) 3_566 . . . ?
K2 O6 C4 C1 94.52(18) 3_566 . . . ?
K2 O6 C4 C1 -151.58(15) 4_576 . . . ?
K2 O7 C2 O1 -34.9(3) 3_666 . . . ?
K2 O7 C2 O1 103.5(2) 4_676 . . . ?
K2 O7 C2 C3 -77.1(2) 4_676 . . . ?
K2 O7 C2 C3 144.56(16) 3_666 . . . ?
K2 O8 C3 K1 -13.9(2) 2_656 . . . ?
K2 O8 C3 O5 -62.4(4) 2_656 . . . ?
K2 O8 C3 C2 117.1(2) 2_656 . . . ?
O1 C2 C3 K1 -67.2(2) . . . . ?
O1 C2 C3 O5 -2.9(3) . . . . ?
O1 C2 C3 O8 177.5(2) . . . . ?
O2 C1 C4 K1 54.8(2) . . . 3_677 ?
O2 C1 C4 K2 -116.42(19) . . . 3_566 ?
O2 C1 C4 O3 6.6(3) . . . . ?
O2 C1 C4 O6 -174.2(2) . . . . ?
O4 C1 C4 K1 -124.67(19) . . . 3_677 ?
O4 C1 C4 K2 64.1(2) . . . 3_566 ?
O4 C1 C4 O3 -172.9(2) . . . . ?
O4 C1 C4 O6 6.3(3) . . . . ?
O7 C2 C3 K1 113.2(2) . . . . ?
O7 C2 C3 O5 177.5(2) . . . . ?
O7 C2 C3 O8 -2.0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.191
_oxdiff_exptl_absorpt_empirical_full_min 0.830
