# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2141245'
loop_
_audit_author_name
_audit_author_address
'Jin Chen'
;Fujian Normal University
China
;
_audit_update_record             
;
2022-01-11 deposited with the CCDC.	2022-09-25 downloaded from the CCDC.
;
_audit_creation_date             2022-01-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.07.19 svn.r715e62df for OlexSys, GUI svn.r6383)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag5 Ba4 I23 O64'
_chemical_formula_sum            'Ag5 Ba4 I23 O64'
_chemical_formula_weight         5031.41
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         Ba4Ag5(IO3)6(I3O8)3(I4O11)2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'

_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           30
_space_group_name_H-M_alt        'P n c 2'
_space_group_name_Hall           'P 2 -2bc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'

_cell_length_a                   14.3909(3)
_cell_length_b                   27.2447(5)
_cell_length_c                   8.04490(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3154.21(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    17951
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.1970
_cell_measurement_theta_min      1.6300
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    15.362
_exptl_absorpt_correction_T_max  0.01500
_exptl_absorpt_correction_T_min  0.00335
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Spherical absorption correction
using equivalent radius and absorption coefficient.
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    5.298
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4380
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_crystal_size_rad          0.400
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            22570
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.103
_diffrn_reflns_theta_min         2.059
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_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   -118.00  62.00   0.50    5.00    --  -28.00  45.00 180.00  360
  2  ω   -118.00  22.00   0.50    5.00    --  -28.00  45.00  90.00  280
  3  ω   -118.00 -38.00   0.50    5.00    --  -28.00  45.00   0.00  160
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0039547000
_diffrn_orient_matrix_UB_12      0.0096258000
_diffrn_orient_matrix_UB_13      -0.0816172000
_diffrn_orient_matrix_UB_21      -0.0490274000
_diffrn_orient_matrix_UB_22      -0.0008743000
_diffrn_orient_matrix_UB_23      -0.0086925000
_diffrn_orient_matrix_UB_31      -0.0033508000
_diffrn_orient_matrix_UB_32      0.0241710000
_diffrn_orient_matrix_UB_33      0.0321568000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.808
_reflns_Friedel_fraction_full    0.953
_reflns_Friedel_fraction_max     0.935
_reflns_number_gt                6531
_reflns_number_total             6759
_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 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (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 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.134
_refine_diff_density_min         -0.955
_refine_diff_density_rms         0.401
_refine_ls_abs_structure_details 
;
 Flack x determined using 2748 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.06(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         6759
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0450
_refine_ls_restrained_S_all      1.042
_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)+(0.0895P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1144
_refine_ls_wR_factor_ref         0.1155
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(I12) = Uanis(I12A)
2. Others
 Sof(I12A)=1-FVAR(1)
 Sof(I12)=FVAR(1)
;
_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
Ba1 Ba 0.17119(6) 0.63932(4) 0.62170(15) 0.0333(2) Uani 1 1 d . . . . .
Ba2 Ba 0.32926(6) 0.36363(4) 0.61689(14) 0.0328(2) Uani 1 1 d . . . . .
I1 I 0.33987(7) 0.40082(4) 1.11333(15) 0.0345(2) Uani 1 1 d . . . . .
I2 I 0.41128(7) 0.61012(4) 0.37826(15) 0.0364(3) Uani 1 1 d . . . . .
I3 I 0.08185(7) 0.40095(4) 0.86419(16) 0.0330(2) Uani 1 1 d . . . . .
I4 I 0.25384(6) 0.50220(3) 0.78546(18) 0.0350(3) Uani 1 1 d . . . . .
I5 I 0.41915(7) 0.60074(4) 0.87171(15) 0.0325(2) Uani 1 1 d . . . . .
I6 I 0.000000 0.500000 0.2255(2) 0.0427(4) Uani 1 2 d S T P . .
I7 I 0.14824(7) 0.60160(4) 0.12729(15) 0.0373(3) Uani 1 1 d . . . . .
I8 I 0.04766(7) 0.72587(4) -0.04565(16) 0.0355(2) Uani 1 1 d . . . . .
I9 I 0.29831(7) 0.73744(4) 0.95986(16) 0.0362(3) Uani 1 1 d . . . . .
I10 I 0.53723(7) 0.73758(4) 0.91607(16) 0.0365(3) Uani 1 1 d . . . . .
I11 I 0.77461(8) 0.73922(4) 0.93390(15) 0.0358(2) Uani 1 1 d . . . . .
I12 I 0.90865(7) 0.85227(4) 0.85543(17) 0.0352(3) Uani 0.948(3) 1 d . . P A 1
Ag1 Ag 0.25721(11) 0.49580(6) 0.3585(3) 0.0539(4) Uani 1 1 d . . . . .
Ag2 Ag 0.000000 0.500000 0.6339(3) 0.0579(6) Uani 1 2 d S T P . .
Ag3 Ag 0.500000 0.500000 1.1654(4) 0.0505(6) Uani 1 2 d S T P . .
Ag4 Ag 0.500000 0.500000 0.6056(4) 0.0668(7) Uani 1 2 d S T P . .
O1 O 0.2670(9) 0.3985(5) 1.2934(18) 0.043(3) Uani 1 1 d . . . . .
O2 O 0.2568(9) 0.3909(6) 0.947(2) 0.052(4) Uani 1 1 d . . . . .
O3 O 0.3472(9) 0.4671(5) 1.100(2) 0.052(3) Uani 1 1 d . . . . .
O4 O 0.5335(8) 0.6201(6) 0.398(2) 0.054(4) Uani 1 1 d . . . . .
O5 O 0.4094(9) 0.5439(5) 0.3985(18) 0.047(3) Uani 1 1 d . . . . .
O6 O 0.3663(9) 0.6250(5) 0.5836(15) 0.042(3) Uani 1 1 d . . . . .
O7 O 0.0627(10) 0.4199(5) 1.0769(15) 0.039(3) Uani 1 1 d . . . . .
O8 O -0.0346(8) 0.4084(5) 0.790(2) 0.045(3) Uani 1 1 d . . . . .
O9 O 0.1235(8) 0.4627(5) 0.7828(19) 0.044(3) Uani 1 1 d . . . . .
O10 O 0.3077(9) 0.4606(4) 0.6454(18) 0.041(3) Uani 1 1 d . . . . .
O11 O 0.2037(9) 0.5407(4) 0.6322(18) 0.041(3) Uani 1 1 d . . . . .
O12 O 0.3826(8) 0.5376(5) 0.7937(16) 0.038(3) Uani 1 1 d . . . . .
O13 O 0.4437(9) 0.5810(5) 1.0799(16) 0.040(3) Uani 1 1 d . . . . .
O14 O 0.5345(8) 0.5951(5) 0.794(2) 0.041(3) Uani 1 1 d . . . . .
O15 O 0.0467(11) 0.4580(5) 0.3771(19) 0.055(3) Uani 1 1 d . . . . .
O16 O 0.1329(10) 0.5347(5) 0.193(2) 0.052(4) Uani 1 1 d . . . . .
O17 O 0.2250(8) 0.6154(5) 0.2934(18) 0.044(3) Uani 1 1 d . . . . .
O18 O 0.2288(9) 0.5907(5) -0.0402(18) 0.045(3) Uani 1 1 d . . . . .
O19 O 0.1447(9) 0.6873(5) 0.025(2) 0.051(4) Uani 1 1 d . . . . .
O20 O -0.0467(9) 0.6840(5) 0.0114(19) 0.046(3) Uani 1 1 d . . . . .
O21 O 0.0533(10) 0.7126(5) -0.2640(18) 0.044(3) Uani 1 1 d . . . . .
O22 O 0.2914(9) 0.7005(5) 0.7743(18) 0.049(3) Uani 1 1 d . . . . .
O23 O 0.2070(8) 0.7814(5) 0.9269(18) 0.044(3) Uani 1 1 d . . . . .
O24 O 0.3972(9) 0.7753(5) 0.891(2) 0.047(3) Uani 1 1 d . . . . .
O25 O 0.4712(9) 0.6884(5) 1.011(2) 0.048(3) Uani 1 1 d . . . . .
O26 O 0.5447(9) 0.7154(5) 0.7062(19) 0.044(3) Uani 1 1 d . . . . .
O27 O 0.6534(8) 0.7046(5) 0.9822(18) 0.042(3) Uani 1 1 d . . . . .
O28 O 0.7090(9) 0.7941(4) 0.8836(18) 0.043(3) Uani 1 1 d . . . . .
O29 O 0.7833(10) 0.7116(5) 0.7320(14) 0.040(3) Uani 1 1 d . . . . .
O30 O 0.8987(9) 0.7839(5) 0.884(2) 0.045(3) Uani 1 1 d . . . . .
O31 O 0.8654(9) 0.8714(5) 1.0566(15) 0.042(3) Uani 1 1 d . . . . .
O32 O 1.0323(8) 0.8542(5) 0.881(2) 0.046(3) Uani 1 1 d . . . . .
I12A I 0.9144(13) 0.8864(9) 0.870(3) 0.0352(3) Uani 0.052(3) 1 d . . P A 2


_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
Ba1 I8 3.9852(16) 1_556 ?
Ba1 O6 2.852(13) . ?
Ba1 O8 2.719(13) 2_565 ?
Ba1 O11 2.727(12) . ?
Ba1 O17 2.828(15) . ?
Ba1 O18 3.137(15) 1_556 ?
Ba1 O21 2.777(14) 1_556 ?
Ba1 O22 2.697(13) . ?
Ba1 O23 2.719(13) 3_564 ?
Ba1 O32 2.790(14) 3_464 ?
Ba2 I11 3.9864(14) 4_644 ?
Ba2 O1 2.912(15) 1_554 ?
Ba2 O2 2.949(16) . ?
Ba2 O4 2.684(14) 2_665 ?
Ba2 O10 2.671(12) . ?
Ba2 O14 2.672(13) 2_665 ?
Ba2 O26 2.905(13) 2_665 ?
Ba2 O28 2.724(13) 4_644 ?
Ba2 O29 2.772(13) 2_665 ?
Ba2 O31 2.851(12) 4_644 ?
I1 O1 1.789(14) . ?
I1 O2 1.813(13) . ?
I1 O3 1.812(13) . ?
I2 O4 1.787(12) . ?
I2 O5 1.813(14) . ?
I2 O6 1.819(12) . ?
I3 O7 1.808(12) . ?
I3 O8 1.790(12) . ?
I3 O9 1.903(12) . ?
I4 O9 2.162(12) . ?
I4 O10 1.776(12) . ?
I4 O11 1.773(13) . ?
I4 O12 2.091(12) . ?
I5 O12 1.904(12) . ?
I5 O13 1.794(12) . ?
I5 O14 1.780(12) . ?
I6 O15 1.803(15) . ?
I6 O15 1.803(15) 2_565 ?
I6 O16 2.150(14) . ?
I6 O16 2.150(14) 2_565 ?
I7 O16 1.909(13) . ?
I7 O17 1.774(13) . ?
I7 O18 1.802(13) . ?
I7 O19 2.474(14) . ?
I8 O19 1.839(13) . ?
I8 O20 1.833(13) . ?
I8 O21 1.795(14) . ?
I9 O22 1.804(13) . ?
I9 O23 1.797(11) . ?
I9 O24 1.843(13) . ?
I10 O24 2.272(15) . ?
I10 O25 1.811(13) . ?
I10 O26 1.797(15) . ?
I10 O27 1.971(12) . ?
I11 O27 2.022(12) . ?
I11 O28 1.813(12) . ?
I11 O29 1.794(11) . ?
I11 O30 2.198(13) . ?
I12 O30 1.883(14) . ?
I12 O31 1.810(12) . ?
I12 O32 1.792(11) . ?
Ag1 O3 2.574(16) 1_554 ?
Ag1 O5 2.572(14) . ?
Ag1 O16 2.470(14) . ?
Ag2 O9 2.372(12) . ?
Ag2 O9 2.372(12) 2_565 ?
Ag2 O15 2.455(15) . ?
Ag2 O15 2.455(15) 2_565 ?
Ag3 O3 2.433(14) 2_665 ?
Ag3 O3 2.433(14) . ?
Ag3 O5 2.577(14) 2_666 ?
Ag3 O5 2.577(14) 1_556 ?
Ag3 O13 2.451(13) 2_665 ?
Ag3 O13 2.451(13) . ?
Ag4 O5 2.430(14) . ?
Ag4 O5 2.430(14) 2_665 ?
Ag4 O12 2.489(12) . ?
Ag4 O12 2.489(12) 2_665 ?
O15 I12A 2.03(3) 4_644 ?
O31 I12A 1.71(3) . ?
O32 I12A 1.91(2) . ?

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
O6 Ba1 I8 126.3(3) . 1_556 ?
O6 Ba1 O18 77.0(3) . 1_556 ?
O8 Ba1 I8 68.0(3) 2_565 1_556 ?
O8 Ba1 O6 134.4(4) 2_565 . ?
O8 Ba1 O11 68.8(4) 2_565 . ?
O8 Ba1 O17 123.6(4) 2_565 . ?
O8 Ba1 O18 63.7(4) 2_565 1_556 ?
O8 Ba1 O21 74.8(4) 2_565 1_556 ?
O8 Ba1 O32 81.9(5) 2_565 3_464 ?
O11 Ba1 I8 129.7(3) . 1_556 ?
O11 Ba1 O6 72.5(4) . . ?
O11 Ba1 O17 75.8(4) . . ?
O11 Ba1 O18 60.8(4) . 1_556 ?
O11 Ba1 O21 143.4(4) . 1_556 ?
O11 Ba1 O32 101.9(4) . 3_464 ?
O17 Ba1 I8 152.3(3) . 1_556 ?
O17 Ba1 O6 66.3(3) . . ?
O17 Ba1 O18 129.8(4) . 1_556 ?
O18 Ba1 I8 77.6(2) 1_556 1_556 ?
O21 Ba1 I8 23.0(3) 1_556 1_556 ?
O21 Ba1 O6 137.4(4) 1_556 . ?
O21 Ba1 O17 129.9(4) 1_556 . ?
O21 Ba1 O18 100.3(4) 1_556 1_556 ?
O21 Ba1 O32 75.3(4) 1_556 3_464 ?
O22 Ba1 I8 67.3(3) . 1_556 ?
O22 Ba1 O6 60.1(4) . . ?
O22 Ba1 O8 122.1(5) . 2_565 ?
O22 Ba1 O11 119.0(4) . . ?
O22 Ba1 O17 113.1(4) . . ?
O22 Ba1 O18 72.3(4) . 1_556 ?
O22 Ba1 O21 78.3(4) . 1_556 ?
O22 Ba1 O23 69.5(4) . 3_564 ?
O22 Ba1 O32 137.4(4) . 3_464 ?
O23 Ba1 I8 90.1(3) 3_564 1_556 ?
O23 Ba1 O6 82.0(4) 3_564 . ?
O23 Ba1 O8 143.6(4) 3_564 2_565 ?
O23 Ba1 O11 140.2(4) 3_564 . ?
O23 Ba1 O17 66.0(4) 3_564 . ?
O23 Ba1 O18 141.8(4) 3_564 1_556 ?
O23 Ba1 O21 74.6(4) 3_564 1_556 ?
O23 Ba1 O32 71.6(4) 3_564 3_464 ?
O32 Ba1 I8 96.3(3) 3_464 1_556 ?
O32 Ba1 O6 129.7(4) 3_464 . ?
O32 Ba1 O17 64.0(4) 3_464 . ?
O32 Ba1 O18 144.9(4) 3_464 1_556 ?
O1 Ba2 I11 80.3(3) 1_554 4_644 ?
O1 Ba2 O2 127.9(3) 1_554 . ?
O2 Ba2 I11 114.5(3) . 4_644 ?
O4 Ba2 I11 100.0(4) 2_665 4_644 ?
O4 Ba2 O1 65.5(4) 2_665 1_554 ?
O4 Ba2 O2 144.1(4) 2_665 . ?
O4 Ba2 O26 79.9(4) 2_665 2_665 ?
O4 Ba2 O28 79.1(4) 2_665 4_644 ?
O4 Ba2 O29 140.5(5) 2_665 2_665 ?
O4 Ba2 O31 126.8(4) 2_665 4_644 ?
O10 Ba2 I11 146.0(3) . 4_644 ?
O10 Ba2 O1 73.6(4) . 1_554 ?
O10 Ba2 O2 68.4(4) . . ?
O10 Ba2 O4 88.8(5) . 2_665 ?
O10 Ba2 O14 67.9(4) . 2_665 ?
O10 Ba2 O26 141.7(4) . 2_665 ?
O10 Ba2 O28 136.4(4) . 4_644 ?
O10 Ba2 O29 129.4(4) . 2_665 ?
O10 Ba2 O31 80.0(4) . 4_644 ?
O14 Ba2 I11 146.1(3) 2_665 4_644 ?
O14 Ba2 O1 124.4(4) 2_665 1_554 ?
O14 Ba2 O2 70.9(4) 2_665 . ?
O14 Ba2 O4 75.0(5) 2_665 2_665 ?
O14 Ba2 O26 73.8(4) 2_665 2_665 ?
O14 Ba2 O28 144.0(4) 2_665 4_644 ?
O14 Ba2 O29 124.2(4) 2_665 2_665 ?
O14 Ba2 O31 141.3(4) 2_665 4_644 ?
O26 Ba2 I11 72.3(3) 2_665 4_644 ?
O26 Ba2 O1 130.9(4) 2_665 1_554 ?
O26 Ba2 O2 100.6(4) 2_665 . ?
O28 Ba2 I11 22.8(3) 4_644 4_644 ?
O28 Ba2 O1 63.2(4) 4_644 1_554 ?
O28 Ba2 O2 136.4(4) 4_644 . ?
O28 Ba2 O26 77.4(4) 4_644 2_665 ?
O28 Ba2 O29 66.3(4) 4_644 2_665 ?
O28 Ba2 O31 74.7(4) 4_644 4_644 ?
O29 Ba2 I11 43.6(3) 2_665 4_644 ?
O29 Ba2 O1 111.1(4) 2_665 1_554 ?
O29 Ba2 O2 71.3(4) 2_665 . ?
O29 Ba2 O26 74.6(4) 2_665 2_665 ?
O29 Ba2 O31 62.4(4) 2_665 4_644 ?
O31 Ba2 I11 68.4(3) 4_644 4_644 ?
O31 Ba2 O1 61.4(4) 4_644 1_554 ?
O31 Ba2 O2 77.7(3) 4_644 . ?
O31 Ba2 O26 135.3(4) 4_644 2_665 ?
O1 I1 O2 101.9(7) . . ?
O1 I1 O3 96.8(7) . . ?
O3 I1 O2 98.1(7) . . ?
O4 I2 O5 99.1(7) . . ?
O4 I2 O6 103.7(7) . . ?
O5 I2 O6 97.8(6) . . ?
O7 I3 O9 96.9(6) . . ?
O8 I3 O7 98.0(7) . . ?
O8 I3 O9 94.6(6) . . ?
O10 I4 O9 93.2(6) . . ?
O10 I4 O12 85.8(5) . . ?
O11 I4 O9 86.3(5) . . ?
O11 I4 O10 96.5(7) . . ?
O11 I4 O12 96.3(6) . . ?
O12 I4 O9 177.4(5) . . ?
O13 I5 O12 95.3(6) . . ?
O14 I5 O12 93.6(6) . . ?
O14 I5 O13 96.8(7) . . ?
O15 I6 O15 94.9(10) . 2_565 ?
O15 I6 O16 97.7(7) . 2_565 ?
O15 I6 O16 91.7(6) . . ?
O15 I6 O16 97.7(7) 2_565 . ?
O15 I6 O16 91.7(6) 2_565 2_565 ?
O16 I6 O16 166.0(9) . 2_565 ?
O16 I7 O19 171.5(5) . . ?
O17 I7 O16 93.8(6) . . ?
O17 I7 O18 101.4(7) . . ?
O17 I7 O19 93.6(6) . . ?
O18 I7 O16 97.1(7) . . ?
O18 I7 O19 85.5(6) . . ?
O19 I8 Ba1 62.0(5) . 1_554 ?
O20 I8 Ba1 97.5(5) . 1_554 ?
O20 I8 O19 97.4(7) . . ?
O21 I8 Ba1 37.2(5) . 1_554 ?
O21 I8 O19 98.9(7) . . ?
O21 I8 O20 98.8(7) . . ?
O22 I9 O24 96.2(7) . . ?
O23 I9 O22 102.1(7) . . ?
O23 I9 O24 98.5(6) . . ?
O25 I10 O24 84.7(6) . . ?
O25 I10 O27 89.6(6) . . ?
O26 I10 O24 97.0(6) . . ?
O26 I10 O25 100.2(7) . . ?
O26 I10 O27 92.8(6) . . ?
O27 I10 O24 169.3(6) . . ?
O27 I11 Ba2 90.1(4) . 4_655 ?
O27 I11 O30 174.2(5) . . ?
O28 I11 Ba2 35.6(5) . 4_655 ?
O28 I11 O27 88.8(5) . . ?
O28 I11 O30 85.7(6) . . ?
O29 I11 Ba2 135.8(4) . 4_655 ?
O29 I11 O27 92.2(6) . . ?
O29 I11 O28 100.4(6) . . ?
O29 I11 O30 90.5(6) . . ?
O30 I11 Ba2 84.4(4) . 4_655 ?
O31 I12 O30 98.6(7) . . ?
O32 I12 O30 95.2(6) . . ?
O32 I12 O31 103.4(7) . . ?
O5 Ag1 O3 80.1(4) . 1_554 ?
O16 Ag1 O3 93.4(5) . 1_554 ?
O16 Ag1 O5 117.7(4) . . ?
O9 Ag2 O9 119.3(7) . 2_565 ?
O9 Ag2 O15 91.2(5) . . ?
O9 Ag2 O15 91.2(5) 2_565 2_565 ?
O9 Ag2 O15 146.1(5) . 2_565 ?
O9 Ag2 O15 146.1(5) 2_565 . ?
O15 Ag2 O15 65.5(7) . 2_565 ?
O3 Ag3 O3 154.9(8) . 2_665 ?
O3 Ag3 O5 116.4(5) 2_665 1_556 ?
O3 Ag3 O5 82.7(5) . 1_556 ?
O3 Ag3 O5 82.7(5) 2_665 2_666 ?
O3 Ag3 O5 116.4(5) . 2_666 ?
O3 Ag3 O13 84.6(5) 2_665 . ?
O3 Ag3 O13 88.4(5) 2_665 2_665 ?
O3 Ag3 O13 88.4(5) . . ?
O3 Ag3 O13 84.6(5) . 2_665 ?
O5 Ag3 O5 86.7(6) 2_666 1_556 ?
O13 Ag3 O5 142.1(4) . 2_666 ?
O13 Ag3 O5 67.6(4) . 1_556 ?
O13 Ag3 O5 142.1(4) 2_665 1_556 ?
O13 Ag3 O5 67.6(4) 2_665 2_666 ?
O13 Ag3 O13 147.4(6) 2_665 . ?
O5 Ag4 O5 93.4(6) 2_665 . ?
O5 Ag4 O12 81.4(4) . . ?
O5 Ag4 O12 169.6(4) 2_665 . ?
O5 Ag4 O12 169.6(4) . 2_665 ?
O5 Ag4 O12 81.4(4) 2_665 2_665 ?
O12 Ag4 O12 105.1(6) . 2_665 ?
I1 O1 Ba2 123.7(6) . 1_556 ?
I1 O2 Ba2 118.0(6) . . ?
I1 O3 Ag1 103.0(6) . 1_556 ?
I1 O3 Ag3 114.0(6) . . ?
Ag3 O3 Ag1 99.6(6) . 1_556 ?
I2 O4 Ba2 143.8(8) . 2_665 ?
I2 O5 Ag1 120.6(6) . . ?
I2 O5 Ag3 112.9(6) . 1_554 ?
I2 O5 Ag4 122.9(7) . . ?
Ag1 O5 Ag3 96.0(5) . 1_554 ?
Ag4 O5 Ag1 107.0(5) . . ?
Ag4 O5 Ag3 90.0(4) . 1_554 ?
I2 O6 Ba1 118.6(5) . . ?
I3 O8 Ba1 142.0(7) . 2_565 ?
I3 O9 I4 135.2(6) . . ?
I3 O9 Ag2 108.4(5) . . ?
I4 O9 Ag2 116.2(5) . . ?
I4 O10 Ba2 137.4(7) . . ?
I4 O11 Ba1 132.4(7) . . ?
I4 O12 Ag4 113.1(5) . . ?
I5 O12 I4 132.2(6) . . ?
I5 O12 Ag4 112.6(5) . . ?
I5 O13 Ag3 126.6(7) . . ?
I5 O14 Ba2 146.6(7) . 2_665 ?
I6 O15 Ag2 99.8(6) . . ?
I6 O15 I12A 134.0(12) . 4_644 ?
I12A O15 Ag2 123.1(10) 4_644 . ?
I6 O16 Ag1 112.9(6) . . ?
I7 O16 I6 123.8(7) . . ?
I7 O16 Ag1 118.4(6) . . ?
I7 O17 Ba1 125.6(6) . . ?
I7 O18 Ba1 114.1(6) . 1_554 ?
I8 O19 I7 131.2(7) . . ?
I8 O21 Ba1 119.7(7) . 1_554 ?
I9 O22 Ba1 139.2(7) . . ?
I9 O23 Ba1 125.6(7) . 3_565 ?
I9 O24 I10 113.9(7) . . ?
I10 O26 Ba2 121.3(6) . 2_665 ?
I10 O27 I11 117.8(7) . . ?
I11 O28 Ba2 121.7(7) . 4_655 ?
I11 O29 Ba2 124.9(6) . 2_665 ?
I12 O30 I11 129.2(7) . . ?
I12 O31 Ba2 117.9(6) . 4_655 ?
I12 O32 Ba1 142.4(8) . 3_665 ?
O31 I12A O15 108.6(15) . 4_655 ?
O31 I12A O32 102.6(14) . . ?
O32 I12A O15 101.3(11) . 4_655 ?

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
Ba1 I8 O19 I7 -86.9(10) 1_554 . . . ?
Ba2 I11 O29 Ba2 -102.4(7) 4_655 . . 2_665 ?
Ba2 O31 I12A O15 101.4(12) 4_655 . . 4_655 ?
Ba2 O31 I12A O32 -151.9(9) 4_655 . . . ?
O1 I1 O2 Ba2 -164.1(8) . . . . ?
O1 I1 O3 Ag1 3.7(7) . . . 1_556 ?
O1 I1 O3 Ag3 110.5(8) . . . . ?
O2 I1 O1 Ba2 149.2(8) . . . 1_556 ?
O2 I1 O3 Ag1 106.8(7) . . . 1_556 ?
O2 I1 O3 Ag3 -146.4(8) . . . . ?
O3 I1 O1 Ba2 -111.0(8) . . . 1_556 ?
O3 I1 O2 Ba2 97.2(8) . . . . ?
O4 I2 O5 Ag1 -174.5(8) . . . . ?
O4 I2 O5 Ag3 -62.1(8) . . . 1_554 ?
O4 I2 O5 Ag4 43.7(9) . . . . ?
O4 I2 O6 Ba1 165.5(7) . . . . ?
O5 I2 O4 Ba2 -88.8(14) . . . 2_665 ?
O5 I2 O6 Ba1 -93.1(7) . . . . ?
O6 I2 O4 Ba2 11.5(16) . . . 2_665 ?
O6 I2 O5 Ag1 80.3(8) . . . . ?
O6 I2 O5 Ag3 -167.4(6) . . . 1_554 ?
O6 I2 O5 Ag4 -61.6(8) . . . . ?
O7 I3 O8 Ba1 -129.6(13) . . . 2_565 ?
O9 I3 O8 Ba1 132.7(13) . . . 2_565 ?
O9 I4 O10 Ba2 -50.2(10) . . . . ?
O9 I4 O11 Ba1 121.4(9) . . . . ?
O10 I4 O11 Ba1 -145.8(9) . . . . ?
O11 I4 O10 Ba2 -136.8(11) . . . . ?
O12 I4 O10 Ba2 127.4(10) . . . . ?
O12 I4 O11 Ba1 -59.3(9) . . . . ?
O12 I5 O13 Ag3 31.1(8) . . . . ?
O12 I5 O14 Ba2 130.2(14) . . . 2_665 ?
O13 I5 O14 Ba2 -134.1(14) . . . 2_665 ?
O14 I5 O13 Ag3 -63.3(9) . . . . ?
O15 I6 O15 Ag2 0.002(1) 2_565 . . . ?
O15 I6 O15 I12A 159.7(18) 2_565 . . 4_644 ?
O16 I6 O15 Ag2 97.9(7) . . . . ?
O16 I6 O15 Ag2 -92.4(6) 2_565 . . . ?
O16 I6 O15 I12A -102.4(14) . . . 4_644 ?
O16 I6 O15 I12A 67.3(15) 2_565 . . 4_644 ?
O16 I7 O17 Ba1 -82.3(8) . . . . ?
O16 I7 O18 Ba1 128.3(6) . . . 1_554 ?
O17 I7 O18 Ba1 -136.3(6) . . . 1_554 ?
O18 I7 O17 Ba1 179.7(7) . . . . ?
O19 I7 O17 Ba1 93.6(8) . . . . ?
O19 I7 O18 Ba1 -43.6(6) . . . 1_554 ?
O19 I8 O21 Ba1 8.2(8) . . . 1_554 ?
O20 I8 O19 I7 7.7(12) . . . . ?
O20 I8 O21 Ba1 -90.8(8) . . . 1_554 ?
O21 I8 O19 I7 -92.5(11) . . . . ?
O22 I9 O23 Ba1 -172.9(7) . . . 3_565 ?
O22 I9 O24 I10 -78.9(8) . . . . ?
O23 I9 O22 Ba1 -63.7(12) . . . . ?
O23 I9 O24 I10 177.8(7) . . . . ?
O24 I9 O22 Ba1 -163.7(11) . . . . ?
O24 I9 O23 Ba1 -74.7(8) . . . 3_565 ?
O24 I10 O26 Ba2 -161.4(7) . . . 2_665 ?
O25 I10 O26 Ba2 -75.6(8) . . . 2_665 ?
O27 I10 O26 Ba2 14.5(7) . . . 2_665 ?
O27 I11 O28 Ba2 92.0(7) . . . 4_655 ?
O27 I11 O29 Ba2 -9.9(8) . . . 2_665 ?
O28 I11 O29 Ba2 -99.1(8) . . . 2_665 ?
O29 I11 O28 Ba2 -176.0(7) . . . 4_655 ?
O30 I11 O28 Ba2 -86.2(7) . . . 4_655 ?
O30 I11 O29 Ba2 175.1(8) . . . 2_665 ?
O30 I12 O31 Ba2 -74.1(7) . . . 4_655 ?
O30 I12 O32 Ba1 -86.3(11) . . . 3_665 ?
O31 I12 O30 I11 60.4(10) . . . . ?
O31 I12 O32 Ba1 13.8(12) . . . 3_665 ?
O32 I12 O30 I11 164.8(10) . . . . ?
O32 I12 O31 Ba2 -171.6(6) . . . 4_655 ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.979
_oxdiff_exptl_absorpt_empirical_full_min 0.602
