# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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_b
_database_code_depnum_ccdc_archive 'CCDC 2143270'
loop_
_audit_author_name
_audit_author_address
'Sheng-Ping Guo'
;Yangzhou University
China
;
_audit_update_record             
;
2022-01-26 deposited with the CCDC.	2022-02-24 downloaded from the CCDC.
;
_audit_creation_date             2021-11-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.67(B18 Eu3.02 In4.5 K1.5 S19.5)'
_chemical_formula_sum            'B12 Eu2 In3 K S13'
_chemical_formula_weight         1234
_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'
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      trigonal
_space_group_IT_number           166
_space_group_name_H-M_alt        'R -3 m'
_space_group_name_Hall           '-R 3 2"'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'

_cell_length_a                   9.8053(3)
_cell_length_b                   9.8053(3)
_cell_length_c                   20.7184(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     1725.08(14)
_cell_formula_units_Z            2.99988
_cell_measurement_reflns_used    6981
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.59
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.746
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5849
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0799 before and 0.0369 after correction.
The Ratio of minimum to maximum transmission is 0.7845.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.572
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1684
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0220
_diffrn_reflns_av_unetI/netI     0.0082
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            7221
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        24.984
_diffrn_reflns_theta_max         24.984
_diffrn_reflns_theta_min         2.950
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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                403
_reflns_number_total             403
_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       ?
_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  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.428
_refine_diff_density_min         -1.206
_refine_diff_density_rms         0.179
_refine_ls_extinction_coef       0.0011(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     49
_refine_ls_number_reflns         403
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0354
_refine_ls_restrained_S_all      1.127
_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)+(0.0137P)²+88.9344P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.0776
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{Eu1A, K1A}
{EU1B, K1B}
2. Rigid bond restraints
 S3A, S3B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
S3A \\sim S3B: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Eu1A) = Uanis(EU1B) = Uanis(K1A) = Uanis(K1B)
4. Others
 1*[Sof(Eu1A)]+1*[Sof(K1A)]=1 with esd of 0.01
 1*[Sof(EU1B)]+1*[Sof(K1B)]=1 with esd of 0.01
 Sof(S3B)=0.08333*(1-FVAR(2))
 Sof(S3A)=0.08333*FVAR(2)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_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
Eu1A Eu 0.2754(2) 0.13770(11) 0.60896(9) 0.0326(7) Uani 0.17(4) 2 d S T P A .
K1A Eu 0.2754(2) 0.13770(11) 0.60896(9) 0.0326(7) Uani 0.16(4) 2 d S T P A .
EU1B K 0.285(2) 0.1424(11) 0.6377(9) 0.0326(7) Uani 0.08(5) 2 d S T P A .
K1B K 0.285(2) 0.1424(11) 0.6377(9) 0.0326(7) Uani 0.08(5) 2 d S T P A .
In1 In 0.5000 0.5000 0.5000 0.0244(4) Uani 1 4 d S T P . .
B1 B 0.4328(6) 0.5672(6) 0.6506(4) 0.0139(18) Uani 1 2 d S T P . .
B2 B 0.4559(10) 0.7280(5) 0.6031(4) 0.0120(18) Uani 1 2 d S T P A .
S1 S 0.5886(3) 0.79428(13) 0.53207(9) 0.0169(5) Uani 1 2 d S T P A .
S2 S 0.53658(13) 0.46342(13) 0.62412(10) 0.0193(5) Uani 1 2 d S T P A .
S3A S 0.0000 0.0000 0.5478(15) 0.059(6) Uani 0.264(17) 6 d S TU P A 1
S3B S 0.0000 0.0000 0.5842(17) 0.062(6) Uani 0.236(17) 6 d S TU 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
Eu1A Eu1A 2.586(4) 25_556 ?
Eu1A K1A 2.586(4) 25_556 ?
Eu1A EU1B 2.01(2) 25_556 ?
Eu1A EU1B 0.601(17) . ?
Eu1A K1B 2.01(2) 25_556 ?
Eu1A S2 3.082(2) 25_556 ?
Eu1A S2 3.082(2) 26_456 ?
Eu1A S2 2.9459(16) . ?
Eu1A S2 2.9460(16) 2_655 ?
Eu1A S3A 2.659(15) . ?
Eu1A S3B 2.394(8) . ?
EU1B Eu1A 2.01(2) 25_556 ?
EU1B K1A 2.01(2) 25_556 ?
EU1B EU1B 1.45(4) 25_556 ?
EU1B K1B 1.45(4) 25_556 ?
EU1B S2 2.883(14) 2_655 ?
EU1B S2 2.754(12) 26_456 ?
EU1B S2 2.754(12) 25_556 ?
EU1B S2 2.882(14) . ?
EU1B S3A 3.05(3) . ?
EU1B S3B 2.66(3) . ?
In1 Eu1A 3.8396(13) 3_665 ?
In1 Eu1A 3.8396(13) 21_556 ?
In1 K1A 3.8396(13) 21_556 ?
In1 K1A 3.8396(13) 3_665 ?
In1 S1 2.6488(8) 21_656 ?
In1 S1 2.6488(8) 19_666 ?
In1 S1 2.6488(8) . ?
In1 S1 2.6488(8) 3_565 ?
In1 S2 2.646(2) . ?
In1 S2 2.646(2) 19_666 ?
B1 B1 1.816(10) 27_556 ?
B1 B1 1.816(10) 26_456 ?
B1 B2 1.774(9) . ?
B1 B2 1.774(12) 26_456 ?
B1 B2 1.774(9) 3_565 ?
B1 S2 1.846(9) . ?
B2 B1 1.774(9) 2_665 ?
B2 B1 1.774(12) 27_556 ?
B2 B2 1.803(15) 2_665 ?
B2 B2 1.803(15) 3_565 ?
B2 S1 1.853(9) . ?
S1 Eu1A 3.142(3) 19_666 ?
S1 Eu1A 3.470(2) 3_665 ?
S1 Eu1A 3.470(2) 2_665 ?
S1 K1A 3.470(2) 3_665 ?
S1 K1A 3.142(3) 19_666 ?
S1 K1A 3.470(2) 2_665 ?
S1 EU1B 3.794(12) 2_665 ?
S1 EU1B 3.678(17) 19_666 ?
S1 K1B 3.678(17) 19_666 ?
S1 In1 2.6488(8) 2_665 ?
S2 Eu1A 2.9459(16) 3_665 ?
S2 K1A 2.9459(16) 3_665 ?
S2 EU1B 2.754(12) 27_556 ?
S2 EU1B 2.754(12) 25_556 ?
S2 EU1B 2.882(14) 3_665 ?
S2 K1B 2.754(12) 25_556 ?
S2 K1B 2.882(14) 3_665 ?
S2 K1B 2.754(12) 27_556 ?
S3A Eu1A 2.659(15) 2 ?
S3A Eu1A 2.659(15) 3 ?
S3A K1A 2.659(15) 3 ?
S3A K1A 2.659(15) 2 ?
S3A EU1B 3.05(3) 3 ?
S3A EU1B 3.05(3) 2 ?
S3A K1B 3.05(3) 3 ?
S3A K1B 3.05(3) 2 ?
S3A S3A 1.98(6) 19_556 ?
S3B Eu1A 2.394(8) 3 ?
S3B Eu1A 2.394(8) 2 ?
S3B K1A 2.394(8) 3 ?
S3B K1A 2.394(8) 2 ?
S3B EU1B 2.66(3) 2 ?
S3B EU1B 2.66(3) 3 ?
S3B K1B 2.66(3) 2 ?
S3B K1B 2.66(3) 3 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Eu1A Eu1A S2 67.35(8) 25_556 . ?
Eu1A Eu1A S2 61.90(6) 25_556 26_456 ?
Eu1A Eu1A S2 67.35(7) 25_556 2_655 ?
Eu1A Eu1A S2 61.90(6) 25_556 25_556 ?
Eu1A Eu1A S3A 140.8(6) 25_556 . ?
K1A Eu1A Eu1A 0.0 25_556 25_556 ?
K1A Eu1A S2 61.90(6) 25_556 25_556 ?
K1A Eu1A S2 61.90(6) 25_556 26_456 ?
K1A Eu1A S2 67.35(7) 25_556 2_655 ?
K1A Eu1A S2 67.35(8) 25_556 . ?
K1A Eu1A S3A 140.8(6) 25_556 . ?
EU1B Eu1A Eu1A 14.7(18) . 25_556 ?
EU1B Eu1A Eu1A 4.3(5) 25_556 25_556 ?
EU1B Eu1A K1A 4.3(5) 25_556 25_556 ?
EU1B Eu1A K1A 14.7(18) . 25_556 ?
EU1B Eu1A EU1B 19(2) . 25_556 ?
EU1B Eu1A K1B 19.0 . 25_556 ?
EU1B Eu1A S2 64.3(3) 25_556 . ?
EU1B Eu1A S2 65.0(4) 25_556 25_556 ?
EU1B Eu1A S2 65.0(4) 25_556 26_456 ?
EU1B Eu1A S2 78.1(14) . 2_655 ?
EU1B Eu1A S2 52.1(11) . 26_456 ?
EU1B Eu1A S2 64.3(3) 25_556 2_655 ?
EU1B Eu1A S2 78.1(14) . . ?
EU1B Eu1A S2 52.1(12) . 25_556 ?
EU1B Eu1A S3A 145.1(8) 25_556 . ?
EU1B Eu1A S3A 126(2) . . ?
EU1B Eu1A S3B 129.1(10) 25_556 . ?
EU1B Eu1A S3B 110(2) . . ?
K1B Eu1A Eu1A 4.3(5) 25_556 25_556 ?
K1B Eu1A K1A 4.3(5) 25_556 25_556 ?
K1B Eu1A EU1B 0.0 25_556 25_556 ?
K1B Eu1A S2 65.0(4) 25_556 25_556 ?
K1B Eu1A S2 64.3(3) 25_556 . ?
K1B Eu1A S2 65.0(4) 25_556 26_456 ?
K1B Eu1A S2 64.3(3) 25_556 2_655 ?
K1B Eu1A S3A 145.1(8) 25_556 . ?
K1B Eu1A S3B 129.1(10) 25_556 . ?
S2 Eu1A S2 76.75(9) 25_556 26_456 ?
S2 Eu1A S2 80.00(8) 2_655 25_556 ?
S2 Eu1A S2 80.00(8) . 26_456 ?
S2 Eu1A S2 129.25(7) . 25_556 ?
S2 Eu1A S2 129.25(7) 2_655 26_456 ?
S2 Eu1A S2 81.00(10) . 2_655 ?
S3A Eu1A S2 88.2(5) . 25_556 ?
S3A Eu1A S2 88.2(5) . 26_456 ?
S3A Eu1A S2 135.5(2) . . ?
S3A Eu1A S2 135.5(2) . 2_655 ?
S3B Eu1A Eu1A 124.7(8) . 25_556 ?
S3B Eu1A K1A 124.7(8) . 25_556 ?
S3B Eu1A S2 75.7(6) . 26_456 ?
S3B Eu1A S2 139.31(9) . . ?
S3B Eu1A S2 139.31(9) . 2_655 ?
S3B Eu1A S2 75.7(6) . 25_556 ?
Eu1A EU1B Eu1A 161(2) . 25_556 ?
Eu1A EU1B K1A 161.0 . 25_556 ?
Eu1A EU1B EU1B 153(3) . 25_556 ?
Eu1A EU1B K1B 153(3) . 25_556 ?
Eu1A EU1B S2 74.6(5) 25_556 25_556 ?
Eu1A EU1B S2 75.8(5) 25_556 . ?
Eu1A EU1B S2 118.0(14) . 25_556 ?
Eu1A EU1B S2 75.8(5) 25_556 2_655 ?
Eu1A EU1B S2 90.1(14) . 2_655 ?
Eu1A EU1B S2 74.6(5) 25_556 26_456 ?
Eu1A EU1B S2 90.1(14) . . ?
Eu1A EU1B S2 118.0(14) . 26_456 ?
Eu1A EU1B S3A 154.3(9) 25_556 . ?
Eu1A EU1B S3A 44.7(17) . . ?
Eu1A EU1B S3B 141.3(11) 25_556 . ?
Eu1A EU1B S3B 57.7(19) . . ?
K1A EU1B Eu1A 0.0 25_556 25_556 ?
K1A EU1B S2 74.6(5) 25_556 25_556 ?
K1A EU1B S2 75.8(5) 25_556 2_655 ?
K1A EU1B S2 74.6(5) 25_556 26_456 ?
K1A EU1B S2 75.8(5) 25_556 . ?
K1A EU1B S3A 154.3(9) 25_556 . ?
K1A EU1B S3B 141.3(11) 25_556 . ?
EU1B EU1B Eu1A 7.7(9) 25_556 25_556 ?
EU1B EU1B K1A 7.7(9) 25_556 25_556 ?
EU1B EU1B S2 70.2(10) 25_556 . ?
EU1B EU1B S2 70.2(10) 25_556 2_655 ?
EU1B EU1B S2 80.0(10) 25_556 26_456 ?
EU1B EU1B S2 80.0(10) 25_556 25_556 ?
EU1B EU1B S3A 162.0(17) 25_556 . ?
EU1B EU1B S3B 149.1(18) 25_556 . ?
K1B EU1B Eu1A 7.7(9) 25_556 25_556 ?
K1B EU1B K1A 7.7(9) 25_556 25_556 ?
K1B EU1B EU1B 0.0 25_556 25_556 ?
K1B EU1B S2 80.0(10) 25_556 26_456 ?
K1B EU1B S2 80.0(10) 25_556 25_556 ?
K1B EU1B S2 70.2(10) 25_556 2_655 ?
K1B EU1B S2 70.2(10) 25_556 . ?
K1B EU1B S3A 162.0(17) 25_556 . ?
K1B EU1B S3B 149.1(18) 25_556 . ?
S2 EU1B S2 88.0(5) 25_556 26_456 ?
S2 EU1B S2 86.9(2) 25_556 2_655 ?
S2 EU1B S2 150.2(8) 26_456 2_655 ?
S2 EU1B S2 150.2(8) 25_556 . ?
S2 EU1B S2 86.9(2) 26_456 . ?
S2 EU1B S2 83.2(5) . 2_655 ?
S2 EU1B S3A 87.1(6) 25_556 . ?
S2 EU1B S3A 121.9(5) 2_655 . ?
S2 EU1B S3A 121.9(5) . . ?
S2 EU1B S3A 87.1(6) 26_456 . ?
S3B EU1B S2 77.9(7) . 26_456 ?
S3B EU1B S2 129.3(6) . 2_655 ?
S3B EU1B S2 129.3(6) . . ?
S3B EU1B S2 77.9(7) . 25_556 ?
Eu1A In1 Eu1A 97.08(6) . 3_665 ?
Eu1A In1 Eu1A 180.0 3_665 21_556 ?
Eu1A In1 Eu1A 82.92(6) . 21_556 ?
Eu1A In1 K1A 180.0 21_556 3_665 ?
Eu1A In1 K1A 97.1 . 3_665 ?
Eu1A In1 K1A 180.0 3_665 21_556 ?
Eu1A In1 K1A 0.00(9) 21_556 21_556 ?
Eu1A In1 K1A 82.9 . 21_556 ?
Eu1A In1 K1A 0.00(9) 3_665 3_665 ?
K1A In1 K1A 180.0 21_556 3_665 ?
S1 In1 Eu1A 125.76(5) 21_656 21_556 ?
S1 In1 Eu1A 61.47(5) 19_666 21_556 ?
S1 In1 Eu1A 61.47(5) 3_565 . ?
S1 In1 Eu1A 54.24(5) 3_565 21_556 ?
S1 In1 Eu1A 118.53(5) 21_656 . ?
S1 In1 Eu1A 61.47(5) . 3_665 ?
S1 In1 Eu1A 118.53(5) . 21_556 ?
S1 In1 Eu1A 118.53(5) 19_666 3_665 ?
S1 In1 Eu1A 54.24(5) 19_666 . ?
S1 In1 Eu1A 125.76(5) . . ?
S1 In1 Eu1A 125.76(5) 3_565 3_665 ?
S1 In1 Eu1A 54.24(5) 21_656 3_665 ?
S1 In1 K1A 61.47(5) 19_666 21_556 ?
S1 In1 K1A 118.53(5) 19_666 3_665 ?
S1 In1 K1A 125.76(5) 3_565 3_665 ?
S1 In1 K1A 125.76(5) 21_656 21_556 ?
S1 In1 K1A 54.24(5) 21_656 3_665 ?
S1 In1 K1A 54.24(5) 3_565 21_556 ?
S1 In1 K1A 61.47(5) . 3_665 ?
S1 In1 K1A 118.53(5) . 21_556 ?
S1 In1 S1 89.75(9) . 21_656 ?
S1 In1 S1 180.0 . 19_666 ?
S1 In1 S1 89.75(9) 19_666 3_565 ?
S1 In1 S1 90.25(9) 19_666 21_656 ?
S1 In1 S1 90.25(9) . 3_565 ?
S1 In1 S1 180.0 21_656 3_565 ?
S2 In1 Eu1A 49.98(3) . 3_665 ?
S2 In1 Eu1A 130.02(3) 19_666 . ?
S2 In1 Eu1A 130.02(3) . 21_556 ?
S2 In1 Eu1A 130.02(3) 19_666 3_665 ?
S2 In1 Eu1A 49.98(3) 19_666 21_556 ?
S2 In1 Eu1A 49.98(3) . . ?
S2 In1 K1A 130.02(3) . 21_556 ?
S2 In1 K1A 49.98(3) 19_666 21_556 ?
S2 In1 K1A 130.02(3) 19_666 3_665 ?
S2 In1 K1A 49.98(3) . 3_665 ?
S2 In1 S1 84.90(5) . 3_565 ?
S2 In1 S1 84.90(5) . . ?
S2 In1 S1 95.10(5) . 19_666 ?
S2 In1 S1 95.10(5) . 21_656 ?
S2 In1 S1 95.10(5) 19_666 . ?
S2 In1 S1 84.90(5) 19_666 21_656 ?
S2 In1 S1 84.90(5) 19_666 19_666 ?
S2 In1 S1 95.10(5) 19_666 3_565 ?
S2 In1 S2 180.0 . 19_666 ?
B1 B1 B1 107.3(5) 27_556 26_456 ?
B1 B1 S2 123.584(19) 26_456 . ?
B1 B1 S2 123.584(19) 27_556 . ?
B2 B1 B1 59.2(4) 26_456 26_456 ?
B2 B1 B1 107.9(4) 3_565 27_556 ?
B2 B1 B1 107.9(4) . 26_456 ?
B2 B1 B1 59.2(4) . 27_556 ?
B2 B1 B1 59.2(4) 3_565 26_456 ?
B2 B1 B1 59.2(4) 26_456 27_556 ?
B2 B1 B2 106.0(6) . 26_456 ?
B2 B1 B2 61.1(6) 3_565 . ?
B2 B1 B2 106.0(6) 3_565 26_456 ?
B2 B1 S2 128.7(6) 26_456 . ?
B2 B1 S2 117.7(4) . . ?
B2 B1 S2 117.7(4) 3_565 . ?
B1 B2 B1 61.6(3) 2_665 27_556 ?
B1 B2 B1 111.1(7) 2_665 . ?
B1 B2 B1 61.6(3) . 27_556 ?
B1 B2 B2 108.4(3) . 2_665 ?
B1 B2 B2 59.5(3) . 3_565 ?
B1 B2 B2 108.4(3) 27_556 3_565 ?
B1 B2 B2 108.4(3) 2_665 3_565 ?
B1 B2 B2 59.5(3) 2_665 2_665 ?
B1 B2 B2 108.4(3) 27_556 2_665 ?
B1 B2 S1 120.5(4) 2_665 . ?
B1 B2 S1 121.1(6) 27_556 . ?
B1 B2 S1 120.5(4) . . ?
B2 B2 B2 60.000(1) 2_665 3_565 ?
B2 B2 S1 121.8(2) 2_665 . ?
B2 B2 S1 121.8(2) 3_565 . ?
Eu1A S1 Eu1A 100.41(7) 19_666 3_665 ?
Eu1A S1 Eu1A 71.41(7) 3_665 2_665 ?
Eu1A S1 Eu1A 100.41(7) 19_666 2_665 ?
Eu1A S1 K1A 0.00(12) 19_666 19_666 ?
Eu1A S1 K1A 71.41(7) 3_665 2_665 ?
Eu1A S1 K1A 0.00(7) 2_665 2_665 ?
Eu1A S1 K1A 100.41(7) 19_666 2_665 ?
Eu1A S1 K1A 100.41(7) 19_666 3_665 ?
Eu1A S1 EU1B 4.6(3) 19_666 19_666 ?
Eu1A S1 EU1B 8.0(2) 2_665 2_665 ?
Eu1A S1 EU1B 69.8(3) 3_665 2_665 ?
Eu1A S1 EU1B 104.1(3) 3_665 19_666 ?
Eu1A S1 EU1B 108.4(2) 19_666 2_665 ?
Eu1A S1 EU1B 104.1(3) 2_665 19_666 ?
Eu1A S1 K1B 4.6(3) 19_666 19_666 ?
Eu1A S1 K1B 104.1(3) 2_665 19_666 ?
Eu1A S1 K1B 104.1(3) 3_665 19_666 ?
K1A S1 Eu1A 100.4 19_666 3_665 ?
K1A S1 Eu1A 0.0 3_665 3_665 ?
K1A S1 Eu1A 100.4 19_666 2_665 ?
K1A S1 Eu1A 71.4 3_665 2_665 ?
K1A S1 K1A 71.41(7) 3_665 2_665 ?
K1A S1 K1A 100.41(7) 19_666 2_665 ?
K1A S1 K1A 100.41(7) 19_666 3_665 ?
K1A S1 EU1B 108.4(2) 19_666 2_665 ?
K1A S1 EU1B 8.0(2) 2_665 2_665 ?
K1A S1 EU1B 4.6(3) 19_666 19_666 ?
K1A S1 EU1B 69.8(3) 3_665 2_665 ?
K1A S1 EU1B 104.1(3) 2_665 19_666 ?
K1A S1 EU1B 104.1(3) 3_665 19_666 ?
K1A S1 K1B 4.6(3) 19_666 19_666 ?
K1A S1 K1B 104.1(3) 2_665 19_666 ?
K1A S1 K1B 104.1(3) 3_665 19_666 ?
EU1B S1 EU1B 112.1(4) 19_666 2_665 ?
EU1B S1 K1B 0.0(11) 19_666 19_666 ?
K1B S1 EU1B 112.1 19_666 2_665 ?
In1 S1 Eu1A 76.42(4) . 3_665 ?
In1 S1 Eu1A 147.72(7) 2_665 3_665 ?
In1 S1 Eu1A 82.60(4) . 19_666 ?
In1 S1 Eu1A 76.42(4) 2_665 2_665 ?
In1 S1 Eu1A 82.60(4) 2_665 19_666 ?
In1 S1 Eu1A 147.72(7) . 2_665 ?
In1 S1 K1A 82.60(4) 2_665 19_666 ?
In1 S1 K1A 147.72(7) . 2_665 ?
In1 S1 K1A 147.72(7) 2_665 3_665 ?
In1 S1 K1A 82.60(4) . 19_666 ?
In1 S1 K1A 76.42(4) 2_665 2_665 ?
In1 S1 K1A 76.42(4) . 3_665 ?
In1 S1 EU1B 145.7(3) . 2_665 ?
In1 S1 EU1B 80.97(12) 2_665 19_666 ?
In1 S1 EU1B 80.97(11) . 19_666 ?
In1 S1 EU1B 78.7(3) 2_665 2_665 ?
In1 S1 K1B 80.97(11) . 19_666 ?
In1 S1 K1B 80.97(12) 2_665 19_666 ?
In1 S1 In1 135.48(8) . 2_665 ?
B2 S1 Eu1A 164.1(3) . 19_666 ?
B2 S1 Eu1A 92.4(2) . 3_665 ?
B2 S1 Eu1A 92.4(2) . 2_665 ?
B2 S1 K1A 92.4(2) . 3_665 ?
B2 S1 K1A 164.1(3) . 19_666 ?
B2 S1 K1A 92.4(2) . 2_665 ?
B2 S1 EU1B 84.7(3) . 2_665 ?
B2 S1 EU1B 159.6(4) . 19_666 ?
B2 S1 K1B 159.6(4) . 19_666 ?
B2 S1 In1 91.52(12) . . ?
B2 S1 In1 91.52(12) . 2_665 ?
Eu1A S2 K1A 0.00(10) 3_665 3_665 ?
EU1B S2 Eu1A 157.5(3) . 3_665 ?
EU1B S2 Eu1A 137.1(4) 25_556 3_665 ?
EU1B S2 Eu1A 11.8(3) 3_665 3_665 ?
EU1B S2 Eu1A 41.1(4) 27_556 3_665 ?
EU1B S2 K1A 157.5(3) . 3_665 ?
EU1B S2 K1A 11.8(3) 3_665 3_665 ?
EU1B S2 K1A 137.1(4) 25_556 3_665 ?
EU1B S2 K1A 41.1(4) 27_556 3_665 ?
EU1B S2 EU1B 99.1(8) 27_556 25_556 ?
EU1B S2 EU1B 29.8(8) 27_556 3_665 ?
EU1B S2 EU1B 153.8(6) . 3_665 ?
EU1B S2 EU1B 127.91(17) 27_556 . ?
EU1B S2 EU1B 127.91(17) 25_556 3_665 ?
EU1B S2 EU1B 29.8(8) 25_556 . ?
EU1B S2 K1B 99.1(8) 27_556 25_556 ?
EU1B S2 K1B 153.8 . 3_665 ?
EU1B S2 K1B 29.8(8) 27_556 3_665 ?
EU1B S2 K1B 127.91(17) 25_556 3_665 ?
K1B S2 Eu1A 137.1(4) 25_556 3_665 ?
K1B S2 Eu1A 11.8(3) 3_665 3_665 ?
K1B S2 Eu1A 41.1(4) 27_556 3_665 ?
K1B S2 K1A 137.1(4) 25_556 3_665 ?
K1B S2 K1A 41.1(4) 27_556 3_665 ?
K1B S2 K1A 11.8(3) 3_665 3_665 ?
K1B S2 EU1B 127.9 27_556 . ?
K1B S2 EU1B 0.0 25_556 25_556 ?
K1B S2 EU1B 99.1 27_556 25_556 ?
K1B S2 EU1B 29.8 27_556 3_665 ?
K1B S2 EU1B 29.8 25_556 . ?
K1B S2 EU1B 127.9 25_556 3_665 ?
K1B S2 EU1B 0.0 3_665 3_665 ?
K1B S2 EU1B 0.0 27_556 27_556 ?
K1B S2 K1B 127.91(17) 25_556 3_665 ?
K1B S2 K1B 29.8(8) 27_556 3_665 ?
K1B S2 K1B 99.1(8) 27_556 25_556 ?
In1 S2 Eu1A 86.56(5) . 3_665 ?
In1 S2 K1A 86.56(5) . 3_665 ?
In1 S2 EU1B 127.5(4) . 27_556 ?
In1 S2 EU1B 127.5(4) . 25_556 ?
In1 S2 EU1B 98.2(4) . 3_665 ?
In1 S2 EU1B 98.2(4) . . ?
In1 S2 K1B 98.2(4) . 3_665 ?
In1 S2 K1B 127.5(4) . 27_556 ?
In1 S2 K1B 127.5(4) . 25_556 ?
B1 S2 Eu1A 102.08(5) . 3_665 ?
B1 S2 K1A 102.08(5) . 3_665 ?
B1 S2 EU1B 100.8(3) . 25_556 ?
B1 S2 EU1B 99.5(3) . 3_665 ?
B1 S2 EU1B 99.5(3) . . ?
B1 S2 EU1B 100.8(3) . 27_556 ?
B1 S2 K1B 100.8(3) . 25_556 ?
B1 S2 K1B 100.8(3) . 27_556 ?
B1 S2 K1B 99.5(3) . 3_665 ?
B1 S2 In1 93.7(3) . . ?
Eu1A S3A Eu1A 99.2(8) 3 2 ?
Eu1A S3A Eu1A 99.2(7) . 2 ?
Eu1A S3A Eu1A 99.2(7) . 3 ?
Eu1A S3A K1A 99.2 . 3 ?
Eu1A S3A K1A 99.2(8) 3 2 ?
Eu1A S3A K1A 99.2 . 2 ?
Eu1A S3A EU1B 93.3(8) 3 2 ?
Eu1A S3A EU1B 93.3(8) 2 3 ?
Eu1A S3A EU1B 93.3(8) 3 . ?
Eu1A S3A EU1B 93.3(8) 2 . ?
Eu1A S3A EU1B 9.2(3) . . ?
Eu1A S3A EU1B 93.3(8) . 3 ?
Eu1A S3A EU1B 93.3(8) . 2 ?
Eu1A S3A EU1B 9.2(3) 3 3 ?
Eu1A S3A EU1B 9.2(3) 2 2 ?
Eu1A S3A K1B 93.3(8) . 2 ?
Eu1A S3A K1B 93.3(8) 2 3 ?
Eu1A S3A K1B 93.3(8) . 3 ?
Eu1A S3A K1B 93.3(8) 3 2 ?
Eu1A S3A K1B 9.2(3) 2 2 ?
Eu1A S3A K1B 9.2(3) 3 3 ?
K1A S3A Eu1A 0.0 3 3 ?
K1A S3A Eu1A 0.0 2 2 ?
K1A S3A Eu1A 99.2 3 2 ?
K1A S3A K1A 99.2(8) 3 2 ?
K1A S3A EU1B 93.3(8) 2 3 ?
K1A S3A EU1B 9.2(3) 2 2 ?
K1A S3A EU1B 93.3(8) 2 . ?
K1A S3A EU1B 93.3(8) 3 2 ?
K1A S3A EU1B 9.2(3) 3 3 ?
K1A S3A EU1B 93.3(8) 3 . ?
K1A S3A K1B 93.3(8) 2 3 ?
K1A S3A K1B 9.2(3) 3 3 ?
K1A S3A K1B 9.2(3) 2 2 ?
K1A S3A K1B 93.3(8) 3 2 ?
EU1B S3A EU1B 86.7(8) 2 . ?
EU1B S3A EU1B 86.7(8) 3 . ?
EU1B S3A EU1B 86.7(8) 2 3 ?
EU1B S3A K1B 86.7(8) 2 3 ?
K1B S3A EU1B 86.7 3 . ?
K1B S3A EU1B 86.7 2 3 ?
K1B S3A EU1B 0.0 3 3 ?
K1B S3A EU1B 0.0 2 2 ?
K1B S3A EU1B 86.7 2 . ?
K1B S3A K1B 86.7(8) 2 3 ?
S3A S3A Eu1A 118.4(6) 19_556 . ?
S3A S3A Eu1A 118.4(6) 19_556 2 ?
S3A S3A Eu1A 118.4(6) 19_556 3 ?
S3A S3A K1A 118.4(6) 19_556 2 ?
S3A S3A K1A 118.4(6) 19_556 3 ?
S3A S3A EU1B 127.6(6) 19_556 . ?
S3A S3A EU1B 127.6(6) 19_556 2 ?
S3A S3A EU1B 127.6(6) 19_556 3 ?
S3A S3A K1B 127.6(6) 19_556 3 ?
S3A S3A K1B 127.6(6) 19_556 2 ?
Eu1A S3B Eu1A 115.5(6) 3 2 ?
Eu1A S3B Eu1A 115.5(6) . 2 ?
Eu1A S3B Eu1A 115.5(6) . 3 ?
Eu1A S3B K1A 115.5(6) 3 2 ?
Eu1A S3B K1A 115.5 . 2 ?
Eu1A S3B K1A 115.5 . 3 ?
Eu1A S3B EU1B 110.8(8) 2 . ?
Eu1A S3B EU1B 110.8(8) . 2 ?
Eu1A S3B EU1B 12.3(4) 2 2 ?
Eu1A S3B EU1B 110.8(8) . 3 ?
Eu1A S3B EU1B 110.8(8) 3 2 ?
Eu1A S3B EU1B 12.3(4) 3 3 ?
Eu1A S3B EU1B 12.3(4) . . ?
Eu1A S3B EU1B 110.8(8) 3 . ?
Eu1A S3B EU1B 110.8(8) 2 3 ?
Eu1A S3B K1B 110.8(8) . 3 ?
Eu1A S3B K1B 12.3(4) 2 2 ?
Eu1A S3B K1B 110.8(8) 3 2 ?
Eu1A S3B K1B 12.3(4) 3 3 ?
Eu1A S3B K1B 110.8(8) 2 3 ?
Eu1A S3B K1B 110.8(8) . 2 ?
K1A S3B Eu1A 0.0 2 2 ?
K1A S3B Eu1A 115.5 3 2 ?
K1A S3B Eu1A 0.0 3 3 ?
K1A S3B K1A 115.5(6) 3 2 ?
K1A S3B EU1B 12.3(4) 3 3 ?
K1A S3B EU1B 110.8(8) 3 . ?
K1A S3B EU1B 110.8(8) 3 2 ?
K1A S3B EU1B 110.8(8) 2 . ?
K1A S3B EU1B 110.8(8) 2 3 ?
K1A S3B EU1B 12.3(4) 2 2 ?
K1A S3B K1B 110.8(8) 3 2 ?
K1A S3B K1B 12.3(4) 2 2 ?
K1A S3B K1B 12.3(4) 3 3 ?
K1A S3B K1B 110.8(8) 2 3 ?
EU1B S3B EU1B 103.9(9) 2 . ?
EU1B S3B EU1B 103.9(9) 3 . ?
EU1B S3B EU1B 103.9(9) 3 2 ?
EU1B S3B K1B 103.9(9) 3 2 ?
K1B S3B EU1B 0.0 3 3 ?
K1B S3B EU1B 103.9 3 2 ?
K1B S3B EU1B 103.9 2 . ?
K1B S3B EU1B 0.0 2 2 ?
K1B S3B EU1B 103.9 3 . ?
K1B S3B K1B 103.9(9) 3 2 ?

_olex2_submission_special_instructions 'No special instructions were received'
