data_Cs2Cl2InPS4
_audit_creation_date               2021-03-14
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2014/7'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'Cl2 Cs2 In P S4'
_chemical_formula_sum              'Cl2 Cs2 In P S4'
_chemical_formula_weight           610.75
_chemical_melting_point            ?
_chemical_oxdiff_formula           InPSCsCl
_chemical_oxdiff_usercomment       'hemisphere  0.75  0.5 4s RT'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cs' 'Cs' -0.3680 2.1192
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'In' 'In' -0.7276 1.3100
 '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'
 'S' 'S' 0.1246 0.1234 '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                     9.5832(4)
_cell_length_b                     7.7966(3)
_cell_length_c                     16.4343(6)
_cell_angle_alpha                  90
_cell_angle_beta                   95.978(4)
_cell_angle_gamma                  90
_cell_volume                       1221.24(8)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      7999
_cell_measurement_temperature      295.03(10)
_cell_measurement_theta_max        26.3250
_cell_measurement_theta_min        3.3480
_shelx_estimated_absorpt_T_max     0.614
_shelx_estimated_absorpt_T_min     0.411
_exptl_absorpt_coefficient_mu      9.002
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.83331
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear light colourless'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      3.322
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1088
_exptl_crystal_size_max            0.12
_exptl_crystal_size_mid            0.1
_exptl_crystal_size_min            0.06
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0310
_diffrn_reflns_av_unetI/netI       0.0192
_diffrn_reflns_Laue_measured_fraction_full  0.998
_diffrn_reflns_Laue_measured_fraction_max  0.998
_diffrn_reflns_limit_h_max         11
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         9
_diffrn_reflns_limit_k_min         -9
_diffrn_reflns_limit_l_max         20
_diffrn_reflns_limit_l_min         -20
_diffrn_reflns_number              15197
_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           26.356
_diffrn_reflns_theta_min           3.376
_diffrn_ambient_environment        air
_diffrn_ambient_temperature        295.03(10)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   ?
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  0.998
_diffrn_measured_fraction_theta_max  0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -13.00  41.00   0.50    4.00    --    9.62 -99.00-180.00  108
  2  ω    -28.00  -2.00   0.50    4.00    --   -8.52 -19.00   0.00   52
  3  ω    -78.00  -3.00   0.50    4.00    --   -8.52 -37.00   0.00  150
  4  ω    -80.00 -12.00   0.50    4.00    --   -8.52 -37.00 120.00  136
  5  ω     -4.00  77.00   0.50    4.00    --    9.62  57.00   0.00  162
  6  ω    -58.00  14.00   0.50    4.00    --    9.62 -19.00-150.00  144
  7  ω     -5.00  22.00   0.50    4.00    --   -8.52 -99.00-150.00   54
  8  ω    -24.00  23.00   0.50    4.00    --   -8.52 -99.00 -90.00   94
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0402724000
_diffrn_orient_matrix_UB_12        -0.0031976000
_diffrn_orient_matrix_UB_13        0.0337984000
_diffrn_orient_matrix_UB_21        -0.0017439000
_diffrn_orient_matrix_UB_22        0.0909111000
_diffrn_orient_matrix_UB_23        0.0010760000
_diffrn_orient_matrix_UB_31        -0.0625633000
_diffrn_orient_matrix_UB_32        -0.0005299000
_diffrn_orient_matrix_UB_33        -0.0272030000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  2210
_reflns_number_total               2494
_reflns_odcompleteness_completeness  82.44
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       28.22
_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 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection         'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction          'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_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           1.290
_refine_diff_density_min           -0.763
_refine_diff_density_rms           0.111
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.113
_refine_ls_hydrogen_treatment      undef
_refine_ls_matrix_type             full
_refine_ls_number_parameters       91
_refine_ls_number_reflns           2494
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0255
_refine_ls_R_factor_gt             0.0221
_refine_ls_restrained_S_all        1.113
_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)+(0.0123P)²+3.6403P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0501
_refine_ls_wR_factor_ref           0.0511
_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
 In In 0.68830(3) 0.49799(3) 0.44549(2) 0.02200(8) Uani 1 1 d . . . . .
 Cs1 Cs 0.86102(3) 0.00384(4) 0.58954(2) 0.03719(9) Uani 1 1 d . . . . .
 Cs2 Cs 1.07580(3) 0.50693(4) 0.77278(2) 0.03799(9) Uani 1 1 d . . . . .
 P P 0.63516(10) 0.40930(13) 0.63873(6) 0.0205(2) Uani 1 1 d . . . . .
 S1 S 0.53706(10) 0.27084(13) 0.54177(6) 0.0250(2) Uani 1 1 d . . . . .
 Cl1 Cl 0.83828(11) 0.25600(14) 0.40326(7) 0.0337(2) Uani 1 1 d . . . . .
 Cl2 Cl 0.82882(11) 0.73668(14) 0.39243(7) 0.0341(2) Uani 1 1 d . . . . .
 S2 S 0.72487(12) 0.27517(14) 0.73178(6) 0.0305(2) Uani 1 1 d . . . . .
 S4 S 0.47790(11) 0.56143(15) 0.67740(6) 0.0303(2) Uani 1 1 d . . . . .
 S3 S 0.78773(11) 0.54875(15) 0.58805(6) 0.0302(2) 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
 In Cs2 4.4350(5) 3_766 ?
 In S1 2.8668(11) . ?
 In S1 2.8374(10) 3_666 ?
 In Cl1 2.5129(11) . ?
 In Cl2 2.5063(11) . ?
 In S4 2.4819(10) 3_666 ?
 In S3 2.4675(10) . ?
 Cs1 Cs1 4.1705(6) 3_756 ?
 Cs1 Cs2 4.9615(5) 2_646 ?
 Cs1 P 3.9619(10) . ?
 Cs1 S1 3.7524(10) . ?
 Cs1 Cl1 3.6257(11) . ?
 Cs1 Cl1 3.5144(11) 3_756 ?
 Cs1 Cl2 3.8365(12) 1_545 ?
 Cs1 Cl2 3.5822(11) 3_766 ?
 Cs1 S2 3.5039(11) . ?
 Cs1 S2 3.6031(11) 2_646 ?
 Cs1 S4 4.0030(11) 2_646 ?
 Cs1 S3 3.6166(12) 1_545 ?
 Cs2 In 4.4349(4) 3_766 ?
 Cs2 Cs1 4.9616(5) 2_656 ?
 Cs2 P 4.0812(11) 2_656 ?
 Cs2 S1 3.9216(11) 2_656 ?
 Cs2 Cl1 3.7422(12) 4_666 ?
 Cs2 Cl1 3.6001(12) 3_766 ?
 Cs2 Cl2 3.5705(12) 4_676 ?
 Cs2 Cl2 3.5118(12) 3_766 ?
 Cs2 S2 3.5548(12) 2_656 ?
 Cs2 S2 3.8154(12) . ?
 Cs2 S4 3.6177(12) 2_646 ?
 Cs2 S3 3.8986(11) . ?
 P Cs2 4.0811(11) 2_646 ?
 P S1 2.0680(14) . ?
 P S2 1.9741(14) . ?
 P S4 2.0691(14) . ?
 P S3 2.0658(15) . ?
 S1 In 2.8374(10) 3_666 ?
 S1 Cs2 3.9215(11) 2_646 ?
 Cl1 Cs1 3.5144(11) 3_756 ?
 Cl1 Cs2 3.7422(12) 4_565 ?
 Cl1 Cs2 3.6002(12) 3_766 ?
 Cl2 Cs1 3.8365(12) 1_565 ?
 Cl2 Cs1 3.5822(11) 3_766 ?
 Cl2 Cs2 3.5705(12) 4_575 ?
 Cl2 Cs2 3.5118(12) 3_766 ?
 S2 Cs1 3.6031(11) 2_656 ?
 S2 Cs2 3.5548(12) 2_646 ?
 S4 In 2.4820(10) 3_666 ?
 S4 Cs1 4.0030(11) 2_656 ?
 S4 Cs2 3.6176(12) 2_656 ?
 S3 Cs1 3.6166(12) 1_565 ?

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
 S1 In Cs2 140.42(2) . 3_766 ?
 S1 In Cs2 121.41(2) 3_666 3_766 ?
 S1 In S1 85.37(3) 3_666 . ?
 Cl1 In Cs2 54.25(3) . 3_766 ?
 Cl1 In S1 91.44(3) . . ?
 Cl1 In S1 163.52(3) . 3_666 ?
 Cl2 In Cs2 52.22(3) . 3_766 ?
 Cl2 In S1 89.69(3) . 3_666 ?
 Cl2 In S1 166.31(3) . . ?
 Cl2 In Cl1 96.77(4) . . ?
 S4 In Cs2 71.23(3) 3_666 3_766 ?
 S4 In S1 75.50(3) 3_666 3_666 ?
 S4 In S1 90.88(3) 3_666 . ?
 S4 In Cl1 88.41(4) 3_666 . ?
 S4 In Cl2 100.25(4) 3_666 . ?
 S3 In Cs2 126.19(3) . 3_766 ?
 S3 In S1 75.08(3) . . ?
 S3 In S1 92.85(4) . 3_666 ?
 S3 In Cl1 101.96(4) . . ?
 S3 In Cl2 92.46(4) . . ?
 S3 In S4 162.58(4) . 3_666 ?
 Cs1 Cs1 Cs2 162.385(13) 3_756 2_646 ?
 P Cs1 Cs1 123.926(18) . 3_756 ?
 P Cs1 Cs2 53.004(16) . 2_646 ?
 P Cs1 S4 83.09(2) . 2_646 ?
 S1 Cs1 Cs1 115.827(19) . 3_756 ?
 S1 Cs1 Cs2 51.226(17) . 2_646 ?
 S1 Cs1 P 30.95(2) . . ?
 S1 Cs1 Cl2 97.61(2) . 1_545 ?
 S1 Cs1 S4 111.48(2) . 2_646 ?
 Cl1 Cs1 Cs1 55.511(19) 3_756 3_756 ?
 Cl1 Cs1 Cs1 53.029(18) . 3_756 ?
 Cl1 Cs1 Cs2 135.66(2) 3_756 2_646 ?
 Cl1 Cs1 Cs2 113.769(18) . 2_646 ?
 Cl1 Cs1 P 156.43(3) 3_756 . ?
 Cl1 Cs1 P 75.73(2) . . ?
 Cl1 Cs1 S1 169.89(3) 3_756 . ?
 Cl1 Cs1 S1 63.06(2) . . ?
 Cl1 Cs1 Cl1 108.54(2) 3_756 . ?
 Cl1 Cs1 Cl2 73.08(3) 3_756 1_545 ?
 Cl1 Cs1 Cl2 65.73(2) . 1_545 ?
 Cl1 Cs1 Cl2 69.66(3) 3_756 3_766 ?
 Cl1 Cs1 S2 86.76(3) 3_756 2_646 ?
 Cl1 Cs1 S4 136.92(3) . 2_646 ?
 Cl1 Cs1 S4 78.42(3) 3_756 2_646 ?
 Cl1 Cs1 S3 65.96(3) 3_756 1_545 ?
 Cl2 Cs1 Cs1 52.952(17) 1_545 3_756 ?
 Cl2 Cs1 Cs1 58.735(19) 3_766 3_756 ?
 Cl2 Cs1 Cs2 112.966(18) 1_545 2_646 ?
 Cl2 Cs1 Cs2 133.77(2) 3_766 2_646 ?
 Cl2 Cs1 P 89.93(2) 3_766 . ?
 Cl2 Cs1 P 127.44(2) 1_545 . ?
 Cl2 Cs1 S1 111.43(2) 3_766 . ?
 Cl2 Cs1 Cl1 74.93(3) 3_766 . ?
 Cl2 Cs1 Cl2 111.69(2) 3_766 1_545 ?
 Cl2 Cs1 S2 118.04(3) 3_766 2_646 ?
 Cl2 Cs1 S4 149.08(3) 1_545 2_646 ?
 Cl2 Cs1 S4 67.89(2) 3_766 2_646 ?
 Cl2 Cs1 S3 135.52(3) 3_766 1_545 ?
 S2 Cs1 Cs1 142.10(2) . 3_756 ?
 S2 Cs1 Cs1 141.71(2) 2_646 3_756 ?
 S2 Cs1 Cs2 49.875(19) 2_646 2_646 ?
 S2 Cs1 Cs2 45.760(19) . 2_646 ?
 S2 Cs1 P 93.01(2) 2_646 . ?
 S2 Cs1 P 29.87(2) . . ?
 S2 Cs1 S1 101.00(2) 2_646 . ?
 S2 Cs1 S1 56.44(2) . . ?
 S2 Cs1 Cl1 104.01(3) . . ?
 S2 Cs1 Cl1 163.28(3) 2_646 . ?
 S2 Cs1 Cl1 133.36(3) . 3_756 ?
 S2 Cs1 Cl2 114.48(2) 2_646 1_545 ?
 S2 Cs1 Cl2 152.66(3) . 1_545 ?
 S2 Cs1 Cl2 88.13(3) . 3_766 ?
 S2 Cs1 S2 67.820(8) . 2_646 ?
 S2 Cs1 S4 51.22(2) 2_646 2_646 ?
 S2 Cs1 S4 55.05(2) . 2_646 ?
 S2 Cs1 S3 57.27(2) 2_646 1_545 ?
 S2 Cs1 S3 120.75(3) . 1_545 ?
 S4 Cs1 Cs1 117.76(2) 2_646 3_756 ?
 S4 Cs1 Cs2 79.787(17) 2_646 2_646 ?
 S3 Cs1 Cs1 96.84(2) 1_545 3_756 ?
 S3 Cs1 Cs2 80.523(19) 1_545 2_646 ?
 S3 Cs1 P 132.40(2) 1_545 . ?
 S3 Cs1 S1 112.77(2) 1_545 . ?
 S3 Cs1 Cl1 122.12(3) 1_545 . ?
 S3 Cs1 Cl2 57.53(2) 1_545 1_545 ?
 S3 Cs1 S4 99.89(2) 1_545 2_646 ?
 In Cs2 Cs1 153.402(9) 3_766 2_656 ?
 P Cs2 In 127.445(16) 2_656 3_766 ?
 P Cs2 Cs1 50.836(15) 2_656 2_656 ?
 S1 Cs2 In 146.952(17) 2_656 3_766 ?
 S1 Cs2 Cs1 48.244(16) 2_656 2_656 ?
 S1 Cs2 P 29.866(19) 2_656 2_656 ?
 Cl1 Cs2 In 34.506(17) 3_766 3_766 ?
 Cl1 Cs2 In 95.159(19) 4_666 3_766 ?
 Cl1 Cs2 Cs1 106.542(19) 4_666 2_656 ?
 Cl1 Cs2 Cs1 130.048(18) 3_766 2_656 ?
 Cl1 Cs2 P 93.15(2) 3_766 2_656 ?
 Cl1 Cs2 P 123.04(2) 4_666 2_656 ?
 Cl1 Cs2 S1 93.75(2) 4_666 2_656 ?
 Cl1 Cs2 S1 117.38(2) 3_766 2_656 ?
 Cl1 Cs2 Cl1 123.051(16) 3_766 4_666 ?
 Cl1 Cs2 S2 111.86(2) 3_766 . ?
 Cl1 Cs2 S2 111.67(2) 4_666 . ?
 Cl1 Cs2 S4 136.44(3) 3_766 2_646 ?
 Cl1 Cs2 S3 62.22(2) 3_766 . ?
 Cl1 Cs2 S3 150.60(3) 4_666 . ?
 Cl2 Cs2 In 94.37(2) 4_676 3_766 ?
 Cl2 Cs2 In 34.340(18) 3_766 3_766 ?
 Cl2 Cs2 Cs1 107.961(19) 4_676 2_656 ?
 Cl2 Cs2 Cs1 130.533(19) 3_766 2_656 ?
 Cl2 Cs2 P 150.43(2) 3_766 2_656 ?
 Cl2 Cs2 P 72.94(2) 4_676 2_656 ?
 Cl2 Cs2 S1 178.68(2) 3_766 2_656 ?
 Cl2 Cs2 S1 60.31(2) 4_676 2_656 ?
 Cl2 Cs2 Cl1 63.68(3) 3_766 3_766 ?
 Cl2 Cs2 Cl1 86.17(3) 3_766 4_666 ?
 Cl2 Cs2 Cl1 67.28(2) 4_676 4_666 ?
 Cl2 Cs2 Cl1 87.48(3) 4_676 3_766 ?
 Cl2 Cs2 Cl2 120.804(16) 3_766 4_676 ?
 Cl2 Cs2 S2 125.28(3) 3_766 2_656 ?
 Cl2 Cs2 S2 84.43(3) 3_766 . ?
 Cl2 Cs2 S2 153.89(3) 4_676 . ?
 Cl2 Cs2 S4 121.15(3) 4_676 2_646 ?
 Cl2 Cs2 S4 73.16(3) 3_766 2_646 ?
 Cl2 Cs2 S3 70.33(3) 3_766 . ?
 Cl2 Cs2 S3 140.11(3) 4_676 . ?
 S2 Cs2 In 111.545(18) . 3_766 ?
 S2 Cs2 In 117.927(19) 2_656 3_766 ?
 S2 Cs2 Cs1 44.924(19) 2_656 2_656 ?
 S2 Cs2 Cs1 46.227(17) . 2_656 ?
 S2 Cs2 P 28.93(2) 2_656 2_656 ?
 S2 Cs2 P 88.09(2) . 2_656 ?
 S2 Cs2 S1 94.38(2) . 2_656 ?
 S2 Cs2 S1 54.49(2) 2_656 2_656 ?
 S2 Cs2 Cl1 86.20(3) 2_656 3_766 ?
 S2 Cs2 Cl1 146.03(3) 2_656 4_666 ?
 S2 Cs2 Cl2 100.64(2) 2_656 4_676 ?
 S2 Cs2 S2 64.994(7) 2_656 . ?
 S2 Cs2 S4 115.82(3) 2_656 2_646 ?
 S2 Cs2 S3 50.39(2) . . ?
 S2 Cs2 S3 55.09(2) 2_656 . ?
 S4 Cs2 In 105.74(2) 2_646 3_766 ?
 S4 Cs2 Cs1 75.253(19) 2_646 2_656 ?
 S4 Cs2 P 124.75(3) 2_646 2_656 ?
 S4 Cs2 S1 105.70(2) 2_646 2_656 ?
 S4 Cs2 Cl1 56.45(2) 2_646 4_666 ?
 S4 Cs2 S2 56.06(2) 2_646 . ?
 S4 Cs2 S3 98.67(2) 2_646 . ?
 S3 Cs2 In 75.529(18) . 3_766 ?
 S3 Cs2 Cs1 78.046(17) . 2_656 ?
 S3 Cs2 P 82.89(2) . 2_656 ?
 S3 Cs2 S1 109.33(2) . 2_656 ?
 Cs1 P Cs2 76.160(19) . 2_646 ?
 S1 P Cs1 68.92(4) . . ?
 S1 P Cs2 70.79(4) . 2_646 ?
 S1 P S4 104.40(6) . . ?
 S2 P Cs1 62.11(4) . . ?
 S2 P Cs2 60.57(4) . 2_646 ?
 S2 P S1 116.53(6) . . ?
 S2 P S4 109.76(6) . . ?
 S2 P S3 108.77(6) . . ?
 S4 P Cs1 161.98(5) . . ?
 S4 P Cs2 85.85(5) . 2_646 ?
 S3 P Cs1 85.01(5) . . ?
 S3 P Cs2 161.07(5) . 2_646 ?
 S3 P S1 104.36(6) . . ?
 S3 P S4 113.01(7) . . ?
 In S1 In 94.63(3) 3_666 . ?
 In S1 Cs1 90.19(3) . . ?
 In S1 Cs1 163.03(3) 3_666 . ?
 In S1 Cs2 90.13(3) 3_666 2_646 ?
 In S1 Cs2 161.68(3) . 2_646 ?
 Cs1 S1 Cs2 80.53(2) . 2_646 ?
 P S1 In 83.54(4) . . ?
 P S1 In 84.26(4) . 3_666 ?
 P S1 Cs1 80.13(4) . . ?
 P S1 Cs2 79.34(4) . 2_646 ?
 In Cl1 Cs1 156.07(4) . 3_756 ?
 In Cl1 Cs1 99.19(3) . . ?
 In Cl1 Cs2 91.25(3) . 3_766 ?
 In Cl1 Cs2 101.53(3) . 4_565 ?
 Cs1 Cl1 Cs1 71.46(2) 3_756 . ?
 Cs1 Cl1 Cs2 99.47(3) . 4_565 ?
 Cs1 Cl1 Cs2 101.74(3) 3_756 4_565 ?
 Cs1 Cl1 Cs2 93.88(3) 3_756 3_766 ?
 Cs2 Cl1 Cs1 163.39(3) 3_766 . ?
 Cs2 Cl1 Cs2 90.98(2) 3_766 4_565 ?
 In Cl2 Cs1 149.52(4) . 3_766 ?
 In Cl2 Cs1 96.22(3) . 1_565 ?
 In Cl2 Cs2 104.40(3) . 4_575 ?
 In Cl2 Cs2 93.44(3) . 3_766 ?
 Cs1 Cl2 Cs1 68.31(2) 3_766 1_565 ?
 Cs2 Cl2 Cs1 98.70(3) 4_575 1_565 ?
 Cs2 Cl2 Cs1 160.38(3) 3_766 1_565 ?
 Cs2 Cl2 Cs1 103.85(3) 4_575 3_766 ?
 Cs2 Cl2 Cs1 95.10(3) 3_766 3_766 ?
 Cs2 Cl2 Cs2 95.37(3) 3_766 4_575 ?
 Cs1 S2 Cs1 167.16(3) . 2_656 ?
 Cs1 S2 Cs2 89.32(3) . 2_646 ?
 Cs1 S2 Cs2 91.21(3) . . ?
 Cs1 S2 Cs2 83.90(2) 2_656 . ?
 Cs2 S2 Cs1 93.14(3) 2_646 2_656 ?
 Cs2 S2 Cs2 168.51(3) 2_646 . ?
 P S2 Cs1 104.55(5) . 2_656 ?
 P S2 Cs1 88.02(5) . . ?
 P S2 Cs2 90.50(5) . 2_646 ?
 P S2 Cs2 100.99(5) . . ?
 In S4 Cs1 155.30(5) 3_666 2_656 ?
 In S4 Cs2 105.60(3) 3_666 2_656 ?
 Cs2 S4 Cs1 86.61(2) 2_656 2_656 ?
 P S4 In 93.98(5) . 3_666 ?
 P S4 Cs1 90.51(4) . 2_656 ?
 P S4 Cs2 138.18(6) . 2_656 ?
 In S3 Cs1 102.67(4) . 1_565 ?
 In S3 Cs2 153.91(4) . . ?
 Cs1 S3 Cs2 87.45(2) 1_565 . ?
 P S3 In 94.53(5) . . ?
 P S3 Cs1 131.20(6) . 1_565 ?
 P S3 Cs2 96.63(4) . . ?

_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  1.233
_oxdiff_exptl_absorpt_empirical_full_min  0.806
