# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2290723'
loop_
_audit_author_name
_audit_author_address
'Oksana Sologub'
;TU Wien
Austria
;
_audit_update_record             
;
2023-10-30 deposited with the CCDC.	2023-11-15 downloaded from the CCDC.
;

_audit_creation_date             2023-10-18T23:06:56-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'B12 Pt24 Sc5'
_chemical_formula_sum            'B12 Pt24 Sc5'
_chemical_formula_weight         5036.68

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'I m -3'
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_Int_Tables_number      204
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1/2, -x+1/2, -y+1/2'
'-z+1/2, -x+1/2, y+1/2'
'-z+1/2, x+1/2, -y+1/2'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x+1/2'
'-y+1/2, -z+1/2, x+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-z+1/2, -x+1/2, -y+1/2'
'-z+1/2, x+1/2, y+1/2'
'z+1/2, x+1/2, -y+1/2'
'z+1/2, -x+1/2, y+1/2'
'-y+1/2, -z+1/2, -x+1/2'
'y+1/2, -z+1/2, x+1/2'
'-y+1/2, z+1/2, x+1/2'
'y+1/2, z+1/2, -x+1/2'

_cell_length_a                   10.2042(6)
_cell_length_b                   10.2042(6)
_cell_length_c                   10.2042(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1062.52(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    10106
_cell_measurement_theta_min      3.994
_cell_measurement_theta_max      34.907
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       cube
_exptl_crystal_colour            silver
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    15.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4074
_exptl_transmission_factor_min   0.0452
_exptl_transmission_factor_max   0.1075

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    158.694
_exptl_absorpt_correction_type   multi-scan
_shelx_estimated_absorpt_T_min   0.047
_shelx_estimated_absorpt_T_max   0.047
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II CCD area-detector'
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_unetI/netI     0.018
_diffrn_reflns_number            10106
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.994
_diffrn_reflns_theta_max         34.907
_diffrn_reflns_theta_full        34.907
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_reflns_Friedel_coverage         0
_reflns_number_total             445
_reflns_number_gt                407
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_shelx_SHELXL_version_number     2018/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0055P)²+14.2571P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_coef       0.000147(8)
_refine_ls_number_reflns         445
_refine_ls_number_parameters     20
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0227
_refine_ls_R_factor_gt           0.0173
_refine_ls_wR_factor_ref         0.0273
_refine_ls_wR_factor_gt          0.0266
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_restrained_S_all      1.146
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.789
_refine_diff_density_min         -1.776
_refine_diff_density_rms         0.422

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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'
Sc Sc 0.2519 0.3716 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
Pt1 Pt 0.73486(3) 0.5 0.36838(3) 0.00474(6) Uani 1 2 d S T P . .
Pt2 Pt 0.86478(3) 0.5 0.12851(3) 0.00580(6) Uani 1 2 d S T P . .
Sc1 Sc 0.5 0.5 0.5 0.0106(9) Uani 1 24 d S T P . .
Sc2 Sc 0.75 0.25 0.25 0.0046(4) Uani 1 6 d S T P . .
B1 B 0.6522(9) 0.5 0.1660(8) 0.0089(15) Uiso 1 2 d S . P . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Pt1 B1 2.231(9) . ?
Pt1 B1 2.289(7) 30_655 ?
Pt1 B1 2.289(7) 29_666 ?
Pt1 Pt1 2.6862(5) 26_556 ?
Pt1 Sc1 2.7472(3) . ?
Pt1 Pt2 2.7836(4) . ?
Pt1 Sc2 2.8268(2) . ?
Pt1 Sc2 2.8268(2) 15_655 ?
Pt1 Pt1 2.9423(4) 10_656 ?
Pt1 Pt1 2.9423(4) 33_666 ?
Pt1 Pt1 2.9423(4) 30_655 ?
Pt1 Pt1 2.9423(4) 29_666 ?
Pt2 B1 2.198(7) 21_554 ?
Pt2 B1 2.198(7) 46_554 ?
Pt2 B1 2.202(9) . ?
Pt2 Pt2 2.6227(6) 26 ?
Pt2 Pt2 2.7597(6) 2_765 ?
Pt2 Sc2 3.0686(2) 15_655 ?
Pt2 Sc2 3.0686(2) . ?
Pt2 Pt2 3.0718(2) 17_544 ?
Pt2 Pt2 3.0718(2) 21_554 ?
Sc2 B1 2.870(4) 29_666 ?
Sc2 B1 2.870(4) 17_544 ?
Sc2 B1 2.870(4) 46_554 ?
Sc2 B1 2.870(4) 10_656 ?
Sc2 B1 2.870(4) 37_655 ?
Sc2 B1 2.870(4) . ?

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
B1 Pt1 B1 135.3(2) . 30_655 ?
B1 Pt1 B1 135.3(2) . 29_666 ?
B1 Pt1 B1 85.5(4) 30_655 29_666 ?
B1 Pt1 Pt1 157.8(2) . 26_556 ?
B1 Pt1 Pt1 54.08(13) 30_655 26_556 ?
B1 Pt1 Pt1 54.08(13) 29_666 26_556 ?
B1 Pt1 Sc1 97.1(2) . . ?
B1 Pt1 Sc1 95.67(18) 30_655 . ?
B1 Pt1 Sc1 95.67(18) 29_666 . ?
Pt1 Pt1 Sc1 60.732(5) 26_556 . ?
B1 Pt1 Pt2 50.6(2) . . ?
B1 Pt1 Pt2 107.78(15) 30_655 . ?
B1 Pt1 Pt2 107.78(15) 29_666 . ?
Pt1 Pt1 Pt2 151.559(8) 26_556 . ?
Sc1 Pt1 Pt2 147.710(12) . . ?
B1 Pt1 Sc2 67.98(5) . . ?
B1 Pt1 Sc2 147.0(2) 30_655 . ?
B1 Pt1 Sc2 67.31(15) 29_666 . ?
Pt1 Pt1 Sc2 115.297(5) 26_556 . ?
Sc1 Pt1 Sc2 104.868(6) . . ?
Pt2 Pt1 Sc2 66.311(5) . . ?
B1 Pt1 Sc2 67.98(5) . 15_655 ?
B1 Pt1 Sc2 67.31(15) 30_655 15_655 ?
B1 Pt1 Sc2 147.0(2) 29_666 15_655 ?
Pt1 Pt1 Sc2 115.297(5) 26_556 15_655 ?
Sc1 Pt1 Sc2 104.868(6) . 15_655 ?
Pt2 Pt1 Sc2 66.311(5) . 15_655 ?
Sc2 Pt1 Sc2 128.964(9) . 15_655 ?
B1 Pt1 Pt1 50.26(18) . 10_656 ?
B1 Pt1 Pt1 151.6(2) 30_655 10_656 ?
B1 Pt1 Pt1 105.1(2) 29_666 10_656 ?
Pt1 Pt1 Pt1 110.979(7) 26_556 10_656 ?
Sc1 Pt1 Pt1 57.622(2) . 10_656 ?
Pt2 Pt1 Pt1 94.193(11) . 10_656 ?
Sc2 Pt1 Pt1 58.640(4) . 10_656 ?
Sc2 Pt1 Pt1 107.667(13) 15_655 10_656 ?
B1 Pt1 Pt1 50.26(18) . 33_666 ?
B1 Pt1 Pt1 105.1(2) 30_655 33_666 ?
B1 Pt1 Pt1 151.6(2) 29_666 33_666 ?
Pt1 Pt1 Pt1 110.979(7) 26_556 33_666 ?
Sc1 Pt1 Pt1 57.622(2) . 33_666 ?
Pt2 Pt1 Pt1 94.193(11) . 33_666 ?
Sc2 Pt1 Pt1 107.667(13) . 33_666 ?
Sc2 Pt1 Pt1 58.640(4) 15_655 33_666 ?
Pt1 Pt1 Pt1 54.321(13) 10_656 33_666 ?
B1 Pt1 Pt1 106.70(12) . 30_655 ?
B1 Pt1 Pt1 48.5(2) 30_655 30_655 ?
B1 Pt1 Pt1 116.30(13) 29_666 30_655 ?
Pt1 Pt1 Pt1 62.839(6) 26_556 30_655 ?
Sc1 Pt1 Pt1 57.622(2) . 30_655 ?
Pt2 Pt1 Pt1 124.883(3) . 30_655 ?
Sc2 Pt1 Pt1 161.749(9) . 30_655 ?
Sc2 Pt1 Pt1 58.640(4) 15_655 30_655 ?
Pt1 Pt1 Pt1 104.101(9) 10_656 30_655 ?
Pt1 Pt1 Pt1 60 33_666 30_655 ?
B1 Pt1 Pt1 106.70(12) . 29_666 ?
B1 Pt1 Pt1 116.30(13) 30_655 29_666 ?
B1 Pt1 Pt1 48.5(2) 29_666 29_666 ?
Pt1 Pt1 Pt1 62.839(6) 26_556 29_666 ?
Sc1 Pt1 Pt1 57.622(2) . 29_666 ?
Pt2 Pt1 Pt1 124.883(3) . 29_666 ?
Sc2 Pt1 Pt1 58.640(4) . 29_666 ?
Sc2 Pt1 Pt1 161.749(9) 15_655 29_666 ?
Pt1 Pt1 Pt1 60.0000(10) 10_656 29_666 ?
Pt1 Pt1 Pt1 104.101(9) 33_666 29_666 ?
Pt1 Pt1 Pt1 109.079(2) 30_655 29_666 ?
B1 Pt2 B1 100.8(3) 21_554 46_554 ?
B1 Pt2 B1 126.8(2) 21_554 . ?
B1 Pt2 B1 126.8(2) 46_554 . ?
B1 Pt2 Pt2 96.3(2) 21_554 26 ?
B1 Pt2 Pt2 96.3(2) 46_554 26 ?
B1 Pt2 Pt2 100.0(2) . 26 ?
B1 Pt2 Pt2 51.11(14) 21_554 2_765 ?
B1 Pt2 Pt2 51.11(14) 46_554 2_765 ?
B1 Pt2 Pt2 170.0(2) . 2_765 ?
Pt2 Pt2 Pt2 90 26 2_765 ?
B1 Pt2 Pt1 101.7(2) 21_554 . ?
B1 Pt2 Pt1 101.7(2) 46_554 . ?
B1 Pt2 Pt1 51.6(2) . . ?
Pt2 Pt2 Pt1 151.559(8) 26 . ?
Pt2 Pt2 Pt1 118.442(8) 2_765 . ?
B1 Pt2 Pt1 137.19(16) 21_554 17_544 ?
B1 Pt2 Pt1 49.23(19) 46_554 17_544 ?
B1 Pt2 Pt1 95.03(10) . 17_544 ?
Pt2 Pt2 Pt1 64.143(5) 26 17_544 ?
Pt2 Pt2 Pt1 89.300(7) 2_765 17_544 ?
Pt1 Pt2 Pt1 112.911(7) . 17_544 ?
B1 Pt2 Pt1 49.23(19) 21_554 18_565 ?
B1 Pt2 Pt1 137.19(16) 46_554 18_565 ?
B1 Pt2 Pt1 95.03(10) . 18_565 ?
Pt2 Pt2 Pt1 64.143(5) 26 18_565 ?
Pt2 Pt2 Pt1 89.299(7) 2_765 18_565 ?
Pt1 Pt2 Pt1 112.911(7) . 18_565 ?
Pt1 Pt2 Pt1 128.265(10) 17_544 18_565 ?
B1 Pt2 Sc2 63.55(15) 21_554 15_655 ?
B1 Pt2 Sc2 146.7(2) 46_554 15_655 ?
B1 Pt2 Sc2 63.51(8) . 15_655 ?
Pt2 Pt2 Sc2 113.828(5) 26 15_655 ?
Pt2 Pt2 Sc2 112.437(5) 2_765 15_655 ?
Pt1 Pt2 Sc2 57.520(4) . 15_655 ?
Pt1 Pt2 Sc2 158.263(11) 17_544 15_655 ?
Pt1 Pt2 Sc2 55.446(3) 18_565 15_655 ?
B1 Pt2 Sc2 146.7(2) 21_554 . ?
B1 Pt2 Sc2 63.55(15) 46_554 . ?
B1 Pt2 Sc2 63.51(8) . . ?
Pt2 Pt2 Sc2 113.828(5) 26 . ?
Pt2 Pt2 Sc2 112.437(5) 2_765 . ?
Pt1 Pt2 Sc2 57.520(4) . . ?
Pt1 Pt2 Sc2 55.446(3) 17_544 . ?
Pt1 Pt2 Sc2 158.263(11) 18_565 . ?
Sc2 Pt2 Sc2 112.473(8) 15_655 . ?
B1 Pt2 Pt2 152.4(2) 21_554 17_544 ?
B1 Pt2 Pt2 101.16(17) 46_554 17_544 ?
B1 Pt2 Pt2 45.66(17) . 17_544 ?
Pt2 Pt2 Pt2 64.729(7) 26 17_544 ?
Pt2 Pt2 Pt2 141.706(8) 2_765 17_544 ?
Pt1 Pt2 Pt2 90.091(10) . 17_544 ?
Pt1 Pt2 Pt2 54.495(7) 17_544 17_544 ?
Pt1 Pt2 Pt2 103.156(11) 18_565 17_544 ?
Sc2 Pt2 Pt2 104.261(12) 15_655 17_544 ?
Sc2 Pt2 Pt2 60 . 17_544 ?
B1 Pt2 Pt2 45.8(2) 21_554 21_554 ?
B1 Pt2 Pt2 87.7(2) 46_554 21_554 ?
B1 Pt2 Pt2 107.8(2) . 21_554 ?
Pt2 Pt2 Pt2 141.706(8) 26 21_554 ?
Pt2 Pt2 Pt2 63.308(7) 2_765 21_554 ?
Pt1 Pt2 Pt2 61.564(9) . 21_554 ?
Pt1 Pt2 Pt2 136.130(11) 17_544 21_554 ?
Pt1 Pt2 Pt2 87.287(6) 18_565 21_554 ?
Sc2 Pt2 Pt2 60 15_655 21_554 ?
Sc2 Pt2 Pt2 102.079(12) . 21_554 ?
Pt2 Pt2 Pt2 151.565(14) 17_544 21_554 ?
Pt1 Sc1 Pt1 180 34_565 10_656 ?
Pt1 Sc1 Pt1 64.755(3) 34_565 30_655 ?
Pt1 Sc1 Pt1 115.245(3) 10_656 30_655 ?
Pt1 Sc1 Pt1 115.245(3) 34_565 2_665 ?
Pt1 Sc1 Pt1 64.755(3) 10_656 2_665 ?
Pt1 Sc1 Pt1 115.245(3) 30_655 2_665 ?
Pt1 Sc1 Pt1 64.755(3) 34_565 26_556 ?
Pt1 Sc1 Pt1 115.245(3) 10_656 26_556 ?
Pt1 Sc1 Pt1 64.755(3) 30_655 26_556 ?
Pt1 Sc1 Pt1 180 2_665 26_556 ?
Pt1 Sc1 Pt1 115.245(3) 34_565 6_566 ?
Pt1 Sc1 Pt1 64.755(3) 10_656 6_566 ?
Pt1 Sc1 Pt1 180 30_655 6_566 ?
Pt1 Sc1 Pt1 64.755(3) 2_665 6_566 ?
Pt1 Sc1 Pt1 115.245(3) 26_556 6_566 ?
Pt1 Sc1 Pt1 64.755(3) 34_565 25_666 ?
Pt1 Sc1 Pt1 115.245(3) 10_656 25_666 ?
Pt1 Sc1 Pt1 115.245(3) 30_655 25_666 ?
Pt1 Sc1 Pt1 58.536(11) 2_665 25_666 ?
Pt1 Sc1 Pt1 121.464(11) 26_556 25_666 ?
Pt1 Sc1 Pt1 64.755(3) 6_566 25_666 ?
Pt1 Sc1 Pt1 115.245(3) 34_565 29_666 ?
Pt1 Sc1 Pt1 64.755(3) 10_656 29_666 ?
Pt1 Sc1 Pt1 121.464(11) 30_655 29_666 ?
Pt1 Sc1 Pt1 115.245(3) 2_665 29_666 ?
Pt1 Sc1 Pt1 64.755(3) 26_556 29_666 ?
Pt1 Sc1 Pt1 58.536(11) 6_566 29_666 ?
Pt1 Sc1 Pt1 115.245(3) 25_666 29_666 ?
Pt1 Sc1 Pt1 64.755(3) 34_565 5 ?
Pt1 Sc1 Pt1 115.245(3) 10_656 5 ?
Pt1 Sc1 Pt1 58.536(11) 30_655 5 ?
Pt1 Sc1 Pt1 64.755(3) 2_665 5 ?
Pt1 Sc1 Pt1 115.245(3) 26_556 5 ?
Pt1 Sc1 Pt1 121.464(11) 6_566 5 ?
Pt1 Sc1 Pt1 64.755(3) 25_666 5 ?
Pt1 Sc1 Pt1 180 29_666 5 ?
Pt1 Sc1 Pt1 58.536(11) 34_565 9 ?
Pt1 Sc1 Pt1 121.464(11) 10_656 9 ?
Pt1 Sc1 Pt1 115.245(3) 30_655 9 ?
Pt1 Sc1 Pt1 115.245(3) 2_665 9 ?
Pt1 Sc1 Pt1 64.755(3) 26_556 9 ?
Pt1 Sc1 Pt1 64.755(3) 6_566 9 ?
Pt1 Sc1 Pt1 64.755(3) 25_666 9 ?
Pt1 Sc1 Pt1 64.755(3) 29_666 9 ?
Pt1 Sc1 Pt1 115.245(3) 5 9 ?
Pt1 Sc1 Pt1 121.464(11) 34_565 33_666 ?
Pt1 Sc1 Pt1 58.536(11) 10_656 33_666 ?
Pt1 Sc1 Pt1 64.755(3) 30_655 33_666 ?
Pt1 Sc1 Pt1 64.755(3) 2_665 33_666 ?
Pt1 Sc1 Pt1 115.245(3) 26_556 33_666 ?
Pt1 Sc1 Pt1 115.245(3) 6_566 33_666 ?
Pt1 Sc1 Pt1 115.245(3) 25_666 33_666 ?
Pt1 Sc1 Pt1 115.245(3) 29_666 33_666 ?
Pt1 Sc1 Pt1 64.755(3) 5 33_666 ?
Pt1 Sc1 Pt1 180 9 33_666 ?
Pt1 Sc1 Pt1 115.245(3) 34_565 . ?
Pt1 Sc1 Pt1 64.755(3) 10_656 . ?
Pt1 Sc1 Pt1 64.755(3) 30_655 . ?
Pt1 Sc1 Pt1 121.464(11) 2_665 . ?
Pt1 Sc1 Pt1 58.536(11) 26_556 . ?
Pt1 Sc1 Pt1 115.245(3) 6_566 . ?
Pt1 Sc1 Pt1 180 25_666 . ?
Pt1 Sc1 Pt1 64.755(3) 29_666 . ?
Pt1 Sc1 Pt1 115.245(3) 5 . ?
Pt1 Sc1 Pt1 115.245(3) 9 . ?
Pt1 Sc1 Pt1 64.755(3) 33_666 . ?
Pt1 Sc2 Pt1 180 . 37_655 ?
Pt1 Sc2 Pt1 62.721(9) . 29_666 ?
Pt1 Sc2 Pt1 117.279(9) 37_655 29_666 ?
Pt1 Sc2 Pt1 117.279(9) . 17_544 ?
Pt1 Sc2 Pt1 62.721(9) 37_655 17_544 ?
Pt1 Sc2 Pt1 180 29_666 17_544 ?
Pt1 Sc2 Pt1 117.279(9) . 46_554 ?
Pt1 Sc2 Pt1 62.721(9) 37_655 46_554 ?
Pt1 Sc2 Pt1 117.279(9) 29_666 46_554 ?
Pt1 Sc2 Pt1 62.721(9) 17_544 46_554 ?
Pt1 Sc2 Pt1 62.721(9) . 10_656 ?
Pt1 Sc2 Pt1 117.279(9) 37_655 10_656 ?
Pt1 Sc2 Pt1 62.721(9) 29_666 10_656 ?
Pt1 Sc2 Pt1 117.279(9) 17_544 10_656 ?
Pt1 Sc2 Pt1 180 46_554 10_656 ?
Pt1 Sc2 B1 47.38(17) . 29_666 ?
Pt1 Sc2 B1 132.62(17) 37_655 29_666 ?
Pt1 Sc2 B1 46.10(16) 29_666 29_666 ?
Pt1 Sc2 B1 133.90(16) 17_544 29_666 ?
Pt1 Sc2 B1 85.84(17) 46_554 29_666 ?
Pt1 Sc2 B1 94.16(17) 10_656 29_666 ?
Pt1 Sc2 B1 132.62(17) . 17_544 ?
Pt1 Sc2 B1 47.38(17) 37_655 17_544 ?
Pt1 Sc2 B1 133.90(16) 29_666 17_544 ?
Pt1 Sc2 B1 46.10(16) 17_544 17_544 ?
Pt1 Sc2 B1 94.16(17) 46_554 17_544 ?
Pt1 Sc2 B1 85.84(17) 10_656 17_544 ?
B1 Sc2 B1 180 29_666 17_544 ?
Pt1 Sc2 B1 85.84(17) . 46_554 ?
Pt1 Sc2 B1 94.16(17) 37_655 46_554 ?
Pt1 Sc2 B1 132.62(17) 29_666 46_554 ?
Pt1 Sc2 B1 47.38(17) 17_544 46_554 ?
Pt1 Sc2 B1 46.10(16) 46_554 46_554 ?
Pt1 Sc2 B1 133.90(16) 10_656 46_554 ?
B1 Sc2 B1 86.5(2) 29_666 46_554 ?
B1 Sc2 B1 93.5(2) 17_544 46_554 ?
Pt1 Sc2 B1 94.16(17) . 10_656 ?
Pt1 Sc2 B1 85.84(17) 37_655 10_656 ?
Pt1 Sc2 B1 47.38(17) 29_666 10_656 ?
Pt1 Sc2 B1 132.62(17) 17_544 10_656 ?
Pt1 Sc2 B1 133.90(16) 46_554 10_656 ?
Pt1 Sc2 B1 46.10(16) 10_656 10_656 ?
B1 Sc2 B1 93.5(2) 29_666 10_656 ?
B1 Sc2 B1 86.5(2) 17_544 10_656 ?
B1 Sc2 B1 180 46_554 10_656 ?
Pt1 Sc2 B1 133.90(16) . 37_655 ?
Pt1 Sc2 B1 46.10(16) 37_655 37_655 ?
Pt1 Sc2 B1 85.84(17) 29_666 37_655 ?
Pt1 Sc2 B1 94.16(17) 17_544 37_655 ?
Pt1 Sc2 B1 47.38(17) 46_554 37_655 ?
Pt1 Sc2 B1 132.62(17) 10_656 37_655 ?
B1 Sc2 B1 86.5(2) 29_666 37_655 ?
B1 Sc2 B1 93.5(2) 17_544 37_655 ?
B1 Sc2 B1 93.5(2) 46_554 37_655 ?
B1 Sc2 B1 86.5(2) 10_656 37_655 ?
Pt1 Sc2 B1 46.10(16) . . ?
Pt1 Sc2 B1 133.90(16) 37_655 . ?
Pt1 Sc2 B1 94.16(17) 29_666 . ?
Pt1 Sc2 B1 85.84(17) 17_544 . ?
Pt1 Sc2 B1 132.62(17) 46_554 . ?
Pt1 Sc2 B1 47.38(17) 10_656 . ?
B1 Sc2 B1 93.5(2) 29_666 . ?
B1 Sc2 B1 86.5(2) 17_544 . ?
B1 Sc2 B1 86.5(2) 46_554 . ?
B1 Sc2 B1 93.5(2) 10_656 . ?
B1 Sc2 B1 180 37_655 . ?
Pt2 B1 Pt2 77.8(3) 17_544 18_565 ?
Pt2 B1 Pt2 88.6(3) 17_544 . ?
Pt2 B1 Pt2 88.6(3) 18_565 . ?
Pt2 B1 Pt1 139.02(19) 17_544 . ?
Pt2 B1 Pt1 139.02(19) 18_565 . ?
Pt2 B1 Pt1 77.8(3) . . ?
Pt2 B1 Pt1 84.12(17) 17_544 10_656 ?
Pt2 B1 Pt1 129.4(4) 18_565 10_656 ?
Pt2 B1 Pt1 138.2(2) . 10_656 ?
Pt1 B1 Pt1 81.2(3) . 10_656 ?
Pt2 B1 Pt1 129.4(4) 17_544 33_666 ?
Pt2 B1 Pt1 84.12(17) 18_565 33_666 ?
Pt2 B1 Pt1 138.2(2) . 33_666 ?
Pt1 B1 Pt1 81.2(3) . 33_666 ?
Pt1 B1 Pt1 71.8(3) 10_656 33_666 ?
Pt2 B1 Sc2 145.7(3) 17_544 15_655 ?
Pt2 B1 Sc2 73.17(6) 18_565 15_655 ?
Pt2 B1 Sc2 73.11(18) . 15_655 ?
Pt1 B1 Sc2 65.92(16) . 15_655 ?
Pt1 B1 Sc2 128.7(3) 10_656 15_655 ?
Pt1 B1 Sc2 65.31(9) 33_666 15_655 ?
Pt2 B1 Sc2 73.17(6) 17_544 . ?
Pt2 B1 Sc2 145.7(3) 18_565 . ?
Pt2 B1 Sc2 73.11(18) . . ?
Pt1 B1 Sc2 65.92(16) . . ?
Pt1 B1 Sc2 65.31(9) 10_656 . ?
Pt1 B1 Sc2 128.7(3) 33_666 . ?
Sc2 B1 Sc2 125.4(3) 15_655 . ?


# END of CIF
_chemical_name_systematic        'B12  Pt24  Sc5'
