# 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. 
# 
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data_a
_database_code_depnum_ccdc_archive 'CCDC 2086848'
loop_
_audit_author_name
_audit_author_address
'Sheng-Ping Guo'
;Yangzhou University
China
;
_audit_update_record             
;
2022-01-17 deposited with the CCDC.	2022-04-13 downloaded from the CCDC.
;
_audit_creation_date             2022-01-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(B48 Eu1.07 In15.19 K4 Na3.13 S48)'
_chemical_formula_sum            'B12 Eu0.27 In3.80 K Na0.78 S12'
_chemical_formula_weight         1048.21
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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           12
_space_group_name_H-M_alt        'C 1 2/m 1'
_space_group_name_Hall           '-C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   15.2538(12)
_cell_length_b                   10.4468(7)
_cell_length_c                   14.6131(10)
_cell_angle_alpha                90
_cell_angle_beta                 105.036(3)
_cell_angle_gamma                90
_cell_volume                     2248.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3010
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   0.757
_shelx_estimated_absorpt_T_min   0.501
_exptl_absorpt_coefficient_mu    5.888
_exptl_absorpt_correction_T_max  0.2080
_exptl_absorpt_correction_T_min  0.1570
_exptl_absorpt_correction_type   'Numercial Mu From Formula'
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0583 before and 0.0391 after correction.
The Ratio of minimum to maximum transmission is 0.7548.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    3.096
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1930
_exptl_crystal_size_max          0.136
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_Laue_measured_fraction_full 0.950
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4395
_diffrn_reflns_point_group_measured_fraction_full 0.950
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.471
_diffrn_reflns_theta_min         2.390
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1844
_reflns_number_total             2108
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       'Bruker SAINT'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.190
_refine_diff_density_min         -0.759
_refine_diff_density_rms         0.147
_refine_ls_extinction_coef       0.00018(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2108
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0306
_refine_ls_restrained_S_all      1.097
_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)+(0.0220P)²+19.8262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0672
_refine_ls_wR_factor_ref         0.0702
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(Na1A) = Uanis(Na1B)
2. Others
 Sof(Na1B)=0.25*(1-FVAR(2))
 Sof(Na1A)=0.5*FVAR(2)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.38692(18) 0.000000 0.83084(18) 0.0471(6) Uani 1 2 d S T P . .
Na1A Na 0.5487(5) 0.500000 0.4678(5) 0.042(2) Uani 0.564(9) 2 d S T P A 1
Na1B Na 0.500000 0.500000 0.500000 0.042(2) Uani 0.436(9) 4 d S T P A 2
Eu1 Eu 0.250000 0.250000 0.500000 0.0356(7) Uani 0.268(2) 2 d S T P . .
In3 In 0.53534(3) 0.26886(4) 0.73812(3) 0.02333(15) Uani 1 1 d . . . . .
In2 In 0.75638(4) 0.000000 0.74641(4) 0.02015(17) Uani 1 2 d S T P . .
In1 In 0.750000 0.250000 1.000000 0.0207(3) Uani 0.798(3) 2 d S T P . .
B1 B 0.4953(6) 0.500000 0.8835(6) 0.0164(19) Uani 1 2 d S T P . .
B2 B 0.6151(6) 0.000000 0.5349(6) 0.0138(18) Uani 1 2 d S T P . .
B3 B 0.5467(6) 0.000000 0.6158(6) 0.0129(18) Uani 1 2 d S T P . .
B4 B 0.4456(4) 0.0863(6) 0.5675(4) 0.0139(13) Uani 1 1 d . . . . .
B5 B 0.6027(6) 0.500000 0.9712(6) 0.0146(19) Uani 1 2 d S T P . .
B6 B 0.5315(4) 0.3622(6) 0.9558(4) 0.0145(13) Uani 1 1 d . . . . .
B7 B 0.4486(4) 0.1407(6) 0.4527(4) 0.0127(12) Uani 1 1 d . . . . .
B8 B 0.5853(4) 0.4142(6) 1.0716(4) 0.0158(13) Uani 1 1 d . . . . .
S1 S 0.59385(13) 0.000000 0.74497(13) 0.0166(4) Uani 1 2 d S T P . .
S2 S 0.74302(13) 0.000000 0.57548(13) 0.0178(4) Uani 1 2 d S T P . .
S3 S 0.39022(9) 0.17449(15) 0.64824(10) 0.0191(3) Uani 1 1 d . . . . .
S4 S 0.48205(15) 0.500000 0.75414(13) 0.0216(5) Uani 1 2 d S T P . .
S5 S 0.82331(9) 0.18375(14) 0.85017(10) 0.0182(3) Uani 1 1 d . . . . .
S6 S 0.60955(10) 0.28661(15) 0.60798(10) 0.0212(3) Uani 1 1 d . . . . .
S7 S 0.56893(10) 0.21262(14) 0.90940(10) 0.0200(3) Uani 1 1 d . . . . .
S8 S 0.71438(15) 0.500000 0.94126(16) 0.0363(6) Uani 1 2 d S T P . .


_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
K1 In3 4.0549(17) . ?
K1 In3 4.0549(17) 6 ?
K1 S1 3.687(3) . ?
K1 S3 3.243(2) 6 ?
K1 S3 3.243(2) . ?
K1 S5 3.4754(17) 3_445 ?
K1 S5 3.4754(17) 8_455 ?
K1 S7 3.508(2) 6 ?
K1 S7 3.508(2) . ?
K1 S8 3.425(3) 3_445 ?
Na1A Na1A 1.953(16) 5_666 ?
Na1A Eu1 3.965(6) 2_656 ?
Na1A Eu1 3.965(6) 3 ?
Na1A S4 3.155(7) 5_666 ?
Na1A S6 3.261(6) 2_656 ?
Na1A S6 3.261(6) 5_666 ?
Na1A S6 3.007(5) . ?
Na1A S6 3.007(5) 6_565 ?
Na1B S6 2.9805(16) 6_565 ?
Na1B S6 2.9805(16) . ?
Na1B S6 2.9805(16) 2_656 ?
Na1B S6 2.9805(16) 5_666 ?
Eu1 S2 2.8478(8) 3_455 ?
Eu1 S2 2.8478(8) 5_656 ?
Eu1 S3 2.7360(14) 7_556 ?
Eu1 S3 2.7360(14) . ?
Eu1 S6 2.9966(14) 8_455 ?
Eu1 S6 2.9966(14) 2_656 ?
In3 S1 2.9409(8) . ?
In3 S3 2.4675(15) . ?
In3 S4 2.5778(9) . ?
In3 S4 2.5778(9) 6_565 ?
In3 S6 2.4596(14) . ?
In3 S7 2.4915(14) . ?
In2 S1 2.474(2) . ?
In2 S2 2.4528(19) . ?
In2 S5 2.4946(15) . ?
In2 S5 2.4947(15) 6 ?
In1 S5 2.7917(14) 7_657 ?
In1 S5 2.7917(14) . ?
In1 S7 2.7634(15) 7_657 ?
In1 S7 2.7634(15) . ?
In1 S8 2.7588(8) 7_657 ?
In1 S8 2.7588(8) . ?
B1 B5 1.799(12) . ?
B1 B6 1.786(8) . ?
B1 B6 1.786(8) 6_565 ?
B1 B8 1.779(9) 5_667 ?
B1 B8 1.779(9) 2_657 ?
B1 S4 1.849(9) 6_565 ?
B1 S4 1.849(9) . ?
B2 B3 1.769(12) . ?
B2 B4 1.786(9) 5_656 ?
B2 B4 1.786(9) 2_656 ?
B2 B7 1.797(8) 5_656 ?
B2 B7 1.797(8) 2_656 ?
B2 S2 1.886(9) . ?
B3 B4 1.768(9) . ?
B3 B4 1.768(9) 6 ?
B3 B7 1.789(8) 2_656 ?
B3 B7 1.789(8) 5_656 ?
B3 S1 1.838(9) . ?
B4 B4 1.803(13) 6 ?
B4 B7 1.806(8) 2_656 ?
B4 B7 1.783(8) . ?
B4 S3 1.863(6) . ?
B5 B6 1.782(8) . ?
B5 B6 1.782(8) 6_565 ?
B5 B8 1.796(9) 6_565 ?
B5 B8 1.796(9) . ?
B5 S8 1.866(9) . ?
B6 B6 1.798(12) 2_657 ?
B6 B8 1.805(8) 2_657 ?
B6 B8 1.764(8) . ?
B6 S7 1.852(6) . ?
B7 B7 1.802(12) 2_656 ?
B7 S6 1.868(6) 2_656 ?
B8 B8 1.793(14) 6_565 ?
B8 S5 1.863(6) 7_657 ?
S4 S4 0.000(5) 6_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
In3 K1 In3 87.68(5) 6 . ?
S1 K1 In3 44.33(2) . . ?
S1 K1 In3 44.34(2) . 6 ?
S3 K1 In3 37.48(3) 6 6 ?
S3 K1 In3 89.15(6) 6 . ?
S3 K1 In3 37.48(3) . . ?
S3 K1 In3 89.15(6) . 6 ?
S3 K1 S1 61.48(5) . . ?
S3 K1 S1 61.48(5) 6 . ?
S3 K1 S3 68.41(7) . 6 ?
S3 K1 S5 66.22(4) . 8_455 ?
S3 K1 S5 66.22(4) 6 3_445 ?
S3 K1 S5 131.72(8) . 3_445 ?
S3 K1 S5 131.72(8) 6 8_455 ?
S3 K1 S7 116.44(8) 6 . ?
S3 K1 S7 74.54(5) . . ?
S3 K1 S7 116.44(7) . 6 ?
S3 K1 S7 74.54(5) 6 6 ?
S3 K1 S8 124.43(7) . 3_445 ?
S3 K1 S8 124.43(8) 6 3_445 ?
S5 K1 In3 151.34(6) 3_445 . ?
S5 K1 In3 63.93(3) 3_445 6 ?
S5 K1 In3 151.34(6) 8_455 6 ?
S5 K1 In3 63.93(3) 8_455 . ?
S5 K1 S1 108.02(4) 8_455 . ?
S5 K1 S1 108.02(4) 3_445 . ?
S5 K1 S5 143.84(9) 3_445 8_455 ?
S5 K1 S7 65.51(4) 8_455 . ?
S5 K1 S7 65.51(4) 3_445 6 ?
S5 K1 S7 142.12(8) 3_445 . ?
S5 K1 S7 142.12(8) 8_455 6 ?
S7 K1 In3 37.60(3) 6 6 ?
S7 K1 In3 94.87(6) . 6 ?
S7 K1 In3 37.60(3) . . ?
S7 K1 In3 94.87(6) 6 . ?
S7 K1 S1 55.71(5) . . ?
S7 K1 S1 55.71(5) 6 . ?
S7 K1 S7 78.57(7) 6 . ?
S8 K1 In3 136.16(2) 3_445 . ?
S8 K1 In3 136.16(2) 3_445 6 ?
S8 K1 S1 172.13(10) 3_445 . ?
S8 K1 S5 72.36(4) 3_445 8_455 ?
S8 K1 S5 72.36(4) 3_445 3_445 ?
S8 K1 S7 119.04(6) 3_445 6 ?
S8 K1 S7 119.04(6) 3_445 . ?
Na1A Na1A Eu1 127.2(3) 5_666 2_656 ?
Na1A Na1A Eu1 127.2(3) 5_666 3 ?
Na1A Na1A S4 124.5(5) 5_666 5_666 ?
Na1A Na1A S6 79.1(3) 5_666 . ?
Na1A Na1A S6 64.9(3) 5_666 2_656 ?
Na1A Na1A S6 64.9(3) 5_666 5_666 ?
Na1A Na1A S6 79.1(3) 5_666 6_565 ?
Eu1 Na1A Eu1 82.39(15) 3 2_656 ?
S4 Na1A Eu1 91.48(16) 5_666 3 ?
S4 Na1A Eu1 91.48(16) 5_666 2_656 ?
S4 Na1A S6 75.60(14) 5_666 2_656 ?
S4 Na1A S6 75.60(14) 5_666 5_666 ?
S6 Na1A Eu1 108.3(2) 6_565 2_656 ?
S6 Na1A Eu1 94.14(5) 2_656 2_656 ?
S6 Na1A Eu1 108.3(2) . 3 ?
S6 Na1A Eu1 48.55(8) 6_565 3 ?
S6 Na1A Eu1 94.14(5) 5_666 3 ?
S6 Na1A Eu1 48.55(8) . 2_656 ?
S6 Na1A Eu1 166.6(2) 5_666 2_656 ?
S6 Na1A Eu1 166.6(2) 2_656 3 ?
S6 Na1A S4 129.62(13) . 5_666 ?
S6 Na1A S4 129.62(13) 6_565 5_666 ?
S6 Na1A S6 86.25(19) 2_656 5_666 ?
S6 Na1A S6 144.0(3) 6_565 2_656 ?
S6 Na1A S6 78.18(9) 6_565 5_666 ?
S6 Na1A S6 95.7(2) 6_565 . ?
S6 Na1A S6 78.18(9) . 2_656 ?
S6 Na1A S6 144.0(3) . 5_666 ?
S6 Na1B S6 180.00(4) 5_666 . ?
S6 Na1B S6 83.18(6) 6_565 5_666 ?
S6 Na1B S6 96.82(6) 6_565 . ?
S6 Na1B S6 83.18(6) 2_656 . ?
S6 Na1B S6 96.82(6) 2_656 5_666 ?
S6 Na1B S6 180.0 6_565 2_656 ?
Na1A Eu1 Na1A 180.0 5_666 3_445 ?
S2 Eu1 Na1A 122.98(10) 3_455 3_445 ?
S2 Eu1 Na1A 57.02(10) 3_455 5_666 ?
S2 Eu1 Na1A 57.02(10) 5_656 3_445 ?
S2 Eu1 Na1A 122.98(10) 5_656 5_666 ?
S2 Eu1 S2 180.0 5_656 3_455 ?
S2 Eu1 S6 79.02(5) 3_455 8_455 ?
S2 Eu1 S6 100.98(5) 3_455 2_656 ?
S2 Eu1 S6 79.02(5) 5_656 2_656 ?
S2 Eu1 S6 100.98(5) 5_656 8_455 ?
S3 Eu1 Na1A 109.05(9) . 3_445 ?
S3 Eu1 Na1A 109.05(9) 7_556 5_666 ?
S3 Eu1 Na1A 70.95(9) 7_556 3_445 ?
S3 Eu1 Na1A 70.95(9) . 5_666 ?
S3 Eu1 S2 93.32(5) 7_556 5_656 ?
S3 Eu1 S2 86.68(5) . 5_656 ?
S3 Eu1 S2 93.32(5) . 3_455 ?
S3 Eu1 S2 86.68(5) 7_556 3_455 ?
S3 Eu1 S3 180.00(6) 7_556 . ?
S3 Eu1 S6 93.73(4) . 8_455 ?
S3 Eu1 S6 86.27(4) . 2_656 ?
S3 Eu1 S6 86.27(4) 7_556 8_455 ?
S3 Eu1 S6 93.73(4) 7_556 2_656 ?
S6 Eu1 Na1A 131.23(10) 8_455 5_666 ?
S6 Eu1 Na1A 48.77(10) 2_656 5_666 ?
S6 Eu1 Na1A 48.77(10) 8_455 3_445 ?
S6 Eu1 Na1A 131.23(10) 2_656 3_445 ?
S6 Eu1 S6 180.0 8_455 2_656 ?
S1 In3 K1 61.18(4) . . ?
S3 In3 K1 53.10(5) . . ?
S3 In3 S1 81.89(5) . . ?
S3 In3 S4 99.33(6) . . ?
S3 In3 S4 99.33(6) . 6_565 ?
S3 In3 S7 111.27(5) . . ?
S4 In3 K1 113.70(5) 6_565 . ?
S4 In3 K1 113.70(5) . . ?
S4 In3 S1 172.56(6) . . ?
S4 In3 S1 172.56(6) 6_565 . ?
S4 In3 S4 0.00(11) 6_565 . ?
S6 In3 K1 136.01(5) . . ?
S6 In3 S1 84.37(5) . . ?
S6 In3 S3 98.50(5) . . ?
S6 In3 S4 102.64(6) . 6_565 ?
S6 In3 S4 102.64(6) . . ?
S6 In3 S7 141.14(5) . . ?
S7 In3 K1 59.21(5) . . ?
S7 In3 S1 76.06(5) . . ?
S7 In3 S4 96.73(6) . . ?
S7 In3 S4 96.73(6) . 6_565 ?
S1 In2 S5 104.85(4) . . ?
S1 In2 S5 104.85(4) . 6 ?
S2 In2 S1 99.97(6) . . ?
S2 In2 S5 122.12(4) . 6 ?
S2 In2 S5 122.12(4) . . ?
S5 In2 S5 100.62(7) . 6 ?
S5 In1 S5 180.00(4) 7_657 . ?
S7 In1 S5 98.23(4) 7_657 7_657 ?
S7 In1 S5 81.77(4) 7_657 . ?
S7 In1 S5 81.77(4) . 7_657 ?
S7 In1 S5 98.23(4) . . ?
S7 In1 S7 180.0 7_657 . ?
S8 In1 S5 94.43(5) . . ?
S8 In1 S5 85.57(5) 7_657 . ?
S8 In1 S5 94.43(5) 7_657 7_657 ?
S8 In1 S5 85.57(5) . 7_657 ?
S8 In1 S7 83.86(5) 7_657 7_657 ?
S8 In1 S7 96.14(5) . 7_657 ?
S8 In1 S7 83.86(5) . . ?
S8 In1 S7 96.14(5) 7_657 . ?
S8 In1 S8 180.0 7_657 . ?
B5 B1 S4 124.5(5) . . ?
B5 B1 S4 124.5(5) . 6_565 ?
B6 B1 B5 59.6(3) 6_565 . ?
B6 B1 B5 59.6(3) . . ?
B6 B1 B6 107.4(6) . 6_565 ?
B6 B1 S4 122.7(3) . 6_565 ?
B6 B1 S4 122.7(3) . . ?
B6 B1 S4 122.7(3) 6_565 6_565 ?
B6 B1 S4 122.7(3) 6_565 . ?
B8 B1 B5 109.0(5) 5_667 . ?
B8 B1 B5 109.0(5) 2_657 . ?
B8 B1 B6 109.0(5) 2_657 6_565 ?
B8 B1 B6 60.8(3) 5_667 6_565 ?
B8 B1 B6 109.0(5) 5_667 . ?
B8 B1 B6 60.8(3) 2_657 . ?
B8 B1 B8 60.5(5) 2_657 5_667 ?
B8 B1 S4 118.3(5) 5_667 6_565 ?
B8 B1 S4 118.3(5) 2_657 6_565 ?
B8 B1 S4 118.3(5) 5_667 . ?
B8 B1 S4 118.3(5) 2_657 . ?
S4 B1 S4 0.0 6_565 . ?
B3 B2 B4 107.0(5) . 2_656 ?
B3 B2 B4 107.0(5) . 5_656 ?
B3 B2 B7 60.2(3) . 2_656 ?
B3 B2 B7 60.2(3) . 5_656 ?
B3 B2 S2 122.1(6) . . ?
B4 B2 B4 60.7(5) 5_656 2_656 ?
B4 B2 B7 59.7(3) 5_656 5_656 ?
B4 B2 B7 108.7(5) 5_656 2_656 ?
B4 B2 B7 59.7(3) 2_656 2_656 ?
B4 B2 B7 108.7(5) 2_656 5_656 ?
B4 B2 S2 122.2(4) 5_656 . ?
B4 B2 S2 122.2(4) 2_656 . ?
B7 B2 B7 109.7(6) 5_656 2_656 ?
B7 B2 S2 120.7(3) 5_656 . ?
B7 B2 S2 120.7(3) 2_656 . ?
B2 B3 B7 60.7(3) . 5_656 ?
B2 B3 B7 60.7(3) . 2_656 ?
B2 B3 S1 123.0(6) . . ?
B4 B3 B2 109.8(5) . . ?
B4 B3 B2 109.8(5) 6 . ?
B4 B3 B4 61.3(5) . 6 ?
B4 B3 B7 61.0(3) . 2_656 ?
B4 B3 B7 110.7(5) 6 2_656 ?
B4 B3 B7 61.0(3) 6 5_656 ?
B4 B3 B7 110.7(5) . 5_656 ?
B4 B3 S1 118.6(4) 6 . ?
B4 B3 S1 118.6(4) . . ?
B7 B3 B7 110.4(6) 5_656 2_656 ?
B7 B3 S1 120.8(3) 2_656 . ?
B7 B3 S1 120.8(3) 5_656 . ?
B2 B4 B4 59.7(2) 5_656 6 ?
B2 B4 B7 108.3(4) 5_656 2_656 ?
B2 B4 S3 124.0(4) 5_656 . ?
B3 B4 B2 106.6(4) . 5_656 ?
B3 B4 B4 59.3(3) . 6 ?
B3 B4 B7 60.1(3) . 2_656 ?
B3 B4 B7 107.8(4) . . ?
B3 B4 S3 119.4(4) . . ?
B4 B4 B7 108.3(3) 6 2_656 ?
B4 B4 S3 119.6(2) 6 . ?
B7 B4 B2 60.5(3) . 5_656 ?
B7 B4 B4 108.6(3) . 6 ?
B7 B4 B7 60.3(4) . 2_656 ?
B7 B4 S3 121.3(4) 2_656 . ?
B7 B4 S3 124.4(4) . . ?
B1 B5 S8 123.4(5) . . ?
B6 B5 B1 59.8(3) . . ?
B6 B5 B1 59.8(3) 6_565 . ?
B6 B5 B6 107.8(6) . 6_565 ?
B6 B5 B8 107.0(5) . 6_565 ?
B6 B5 B8 59.1(3) . . ?
B6 B5 B8 59.1(3) 6_565 6_565 ?
B6 B5 B8 107.0(5) 6_565 . ?
B6 B5 S8 122.3(3) 6_565 . ?
B6 B5 S8 122.3(3) . . ?
B8 B5 B1 106.4(5) . . ?
B8 B5 B1 106.4(5) 6_565 . ?
B8 B5 B8 59.9(5) 6_565 . ?
B8 B5 S8 121.9(5) 6_565 . ?
B8 B5 S8 121.9(5) . . ?
B1 B6 B6 106.5(4) . 2_657 ?
B1 B6 B8 59.4(4) . 2_657 ?
B1 B6 S7 122.8(4) . . ?
B5 B6 B1 60.5(4) . . ?
B5 B6 B6 109.3(4) . 2_657 ?
B5 B6 B8 108.6(4) . 2_657 ?
B5 B6 S7 119.5(4) . . ?
B6 B6 B8 58.6(4) 2_657 2_657 ?
B6 B6 S7 122.41(19) 2_657 . ?
B8 B6 B1 108.3(5) . . ?
B8 B6 B5 60.9(4) . . ?
B8 B6 B6 60.9(4) . 2_657 ?
B8 B6 B8 107.9(4) . 2_657 ?
B8 B6 S7 120.0(4) . . ?
B8 B6 S7 123.6(4) 2_657 . ?
B2 B7 B4 106.8(4) 5_656 2_656 ?
B2 B7 B7 107.9(4) 5_656 2_656 ?
B2 B7 S6 120.9(4) 5_656 2_656 ?
B3 B7 B2 59.1(4) 5_656 5_656 ?
B3 B7 B4 58.9(4) 5_656 2_656 ?
B3 B7 B7 106.0(4) 5_656 2_656 ?
B3 B7 S6 119.2(4) 5_656 2_656 ?
B4 B7 B2 59.8(4) . 5_656 ?
B4 B7 B3 106.2(4) . 5_656 ?
B4 B7 B4 107.2(4) . 2_656 ?
B4 B7 B7 60.5(4) . 2_656 ?
B4 B7 S6 120.9(4) 2_656 2_656 ?
B4 B7 S6 125.5(4) . 2_656 ?
B7 B7 B4 59.2(3) 2_656 2_656 ?
B7 B7 S6 125.15(19) 2_656 2_656 ?
B1 B8 B5 108.2(4) 5_667 . ?
B1 B8 B6 59.8(3) 5_667 2_657 ?
B1 B8 B8 59.7(3) 5_667 6_565 ?
B1 B8 S5 122.0(4) 5_667 7_657 ?
B5 B8 B6 108.4(4) . 2_657 ?
B5 B8 S5 122.0(4) . 7_657 ?
B6 B8 B1 108.3(5) . 5_667 ?
B6 B8 B5 60.1(3) . . ?
B6 B8 B6 60.5(4) . 2_657 ?
B6 B8 B8 107.9(3) . 6_565 ?
B6 B8 S5 120.6(4) 2_657 7_657 ?
B6 B8 S5 120.5(4) . 7_657 ?
B8 B8 B5 60.1(2) 6_565 . ?
B8 B8 B6 107.5(3) 6_565 2_657 ?
B8 B8 S5 123.3(2) 6_565 7_657 ?
In3 S1 K1 74.49(4) . . ?
In3 S1 K1 74.49(4) 6 . ?
In3 S1 In3 145.51(7) . 6 ?
In2 S1 K1 160.34(8) . . ?
In2 S1 In3 107.15(4) . 6 ?
In2 S1 In3 107.15(4) . . ?
B3 S1 K1 102.0(3) . . ?
B3 S1 In3 86.02(9) . . ?
B3 S1 In3 86.02(9) . 6 ?
B3 S1 In2 97.6(3) . . ?
Eu1 S2 Eu1 133.01(7) 3_545 2_656 ?
In2 S2 Eu1 113.13(3) . 3_545 ?
In2 S2 Eu1 113.13(3) . 2_656 ?
B2 S2 Eu1 91.01(11) . 3_545 ?
B2 S2 Eu1 91.01(11) . 2_656 ?
B2 S2 In2 97.3(3) . . ?
Eu1 S3 K1 129.63(7) . . ?
In3 S3 K1 89.42(6) . . ?
In3 S3 Eu1 135.67(6) . . ?
B4 S3 K1 110.5(2) . . ?
B4 S3 Eu1 91.75(18) . . ?
B4 S3 In3 92.49(19) . . ?
In3 S4 Na1A 82.70(6) 6_565 5_666 ?
In3 S4 Na1A 82.70(6) . 5_666 ?
In3 S4 In3 139.02(9) 6_565 . ?
B1 S4 Na1A 177.8(3) . 5_666 ?
B1 S4 In3 98.02(10) . . ?
B1 S4 In3 98.02(10) . 6_565 ?
S4 S4 Na1A 0(10) 6_565 5_666 ?
S4 S4 In3 0(9) 6_565 6_565 ?
S4 S4 In3 0(10) 6_565 . ?
S4 S4 B1 0(10) 6_565 . ?
In2 S5 K1 139.55(7) . 3 ?
In2 S5 In1 118.91(5) . . ?
In1 S5 K1 90.30(5) . 3 ?
B8 S5 K1 113.1(2) 7_657 3 ?
B8 S5 In2 94.2(2) 7_657 . ?
B8 S5 In1 92.46(18) 7_657 . ?
Na1A S6 Na1A 36.0(3) . 5_666 ?
Eu1 S6 Na1A 82.68(15) 2_656 . ?
Eu1 S6 Na1A 118.40(14) 2_656 5_666 ?
In3 S6 Na1A 82.28(14) . 5_666 ?
In3 S6 Na1A 117.38(16) . . ?
In3 S6 Na1B 99.12(5) . . ?
In3 S6 Eu1 158.88(7) . 2_656 ?
B7 S6 Na1A 100.3(2) 2_656 5_666 ?
B7 S6 Na1A 104.9(2) 2_656 . ?
B7 S6 Na1B 103.14(19) 2_656 . ?
B7 S6 Eu1 87.84(18) 2_656 2_656 ?
B7 S6 In3 92.76(18) 2_656 . ?
In3 S7 K1 83.19(5) . . ?
In3 S7 In1 111.56(5) . . ?
In1 S7 K1 148.66(6) . . ?
B6 S7 K1 111.2(2) . . ?
B6 S7 In3 99.57(19) . . ?
B6 S7 In1 94.04(19) . . ?
In1 S8 K1 91.90(5) 4_657 3 ?
In1 S8 K1 91.90(5) . 3 ?
In1 S8 In1 142.41(9) 4_657 . ?
B5 S8 K1 166.0(3) . 3 ?
B5 S8 In1 92.59(10) . 4_657 ?
B5 S8 In1 92.59(10) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
