# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_a-sr
_database_code_depnum_ccdc_archive 'CCDC 1511294'
_audit_update_record             
;
2016-12-19 deposited with the CCDC.
2017-02-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H108 K3 N6 O18 Pd12 Sb21'
_chemical_formula_weight         5080.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'

_symmetry_cell_setting           Hexagonal
_symmetry_space_group_name_H-M   R-3c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'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+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'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+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-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-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-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+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   23.635(6)
_cell_length_b                   23.635(6)
_cell_length_c                   34.987(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     16927(9)
_cell_formula_units_Z            6
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    12857
_cell_measurement_theta_min      2.0733
_cell_measurement_theta_max      27.5554

_exptl_crystal_description       Needle
_exptl_crystal_colour            Black
_exptl_crystal_size_max          0.4000
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.1000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.990
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             13788
_exptl_absorpt_coefficient_mu    6.943
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7477
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
???? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32004
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_av_sigmaI/netI    0.0145
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         2.31
_diffrn_reflns_theta_max         24.25
_reflns_number_total             2978
_reflns_number_gt                2898
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0591P)²+327.8439P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2978
_refine_ls_number_parameters     128
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0739
_refine_ls_wR_factor_ref         0.1718
_refine_ls_wR_factor_gt          0.1699
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_restrained_S_all      1.231
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.0000 0.0000 0.0000 0.0851(6) Uani 1 6 d S . .
Sb1 Sb 0.12390(5) 0.12210(5) 0.09250(4) 0.1083(4) Uani 1 1 d . . .
Sb2 Sb 0.19826(5) 0.07377(6) 0.04129(4) 0.1093(4) Uani 1 1 d . . .
Sb3 Sb 0.19875(5) 0.12035(6) -0.04161(4) 0.1090(4) Uani 1 1 d . . .
Pd1 Pd 0.11936(6) 0.11752(6) 0.01511(4) 0.0967(4) Uani 1 1 d . . .
Sb4 Sb 0.0000 0.0000 0.12424(6) 0.1083(6) Uani 1 3 d S . .
Pd2 Pd 0.07270(6) -0.00102(6) 0.06473(4) 0.0961(4) Uani 1 1 d . . .
K K 0.42194(18) 0.3333 0.0833 0.1002(14) Uani 1 2 d S . .
N1 N 0.4167(14) 0.3167(14) -0.0036(7) 0.238(15) Uani 1 1 d D . .
O1 O 0.4290(9) 0.2257(11) 0.0510(6) 0.197(8) Uani 1 1 d . . .
O2 O 0.4145(11) 0.2330(9) 0.1325(6) 0.214(10) Uani 1 1 d D . .
O3 O 0.3111(10) 0.3179(9) 0.0446(8) 0.215(9) Uani 1 1 d D . .
C1 C 0.431(2) 0.264(2) -0.0094(12) 0.253(19) Uiso 1 1 d D . .
H1A H 0.4129 0.2457 -0.0343 0.304 Uiso 1 1 calc R . .
H1B H 0.4777 0.2846 -0.0116 0.304 Uiso 1 1 calc R . .
C3 C 0.4080(17) 0.1754(16) 0.0773(8) 0.193(12) Uiso 1 1 d D . .
H3A H 0.4222 0.1457 0.0683 0.232 Uiso 1 1 calc R . .
H3B H 0.3606 0.1516 0.0769 0.232 Uiso 1 1 calc R . .
C4 C 0.4284(19) 0.191(2) 0.1167(8) 0.240(15) Uiso 1 1 d D . .
H4A H 0.4078 0.1510 0.1315 0.288 Uiso 1 1 calc R . .
H4B H 0.4753 0.2087 0.1181 0.288 Uiso 1 1 calc R . .
C5 C 0.438(2) 0.253(2) 0.1715(12) 0.29(2) Uiso 1 1 d D . .
H5A H 0.4293 0.2165 0.1876 0.346 Uiso 1 1 calc R . .
H5B H 0.4842 0.2852 0.1720 0.346 Uiso 1 1 calc R . .
C6 C 0.400(2) 0.281(2) 0.1826(8) 0.255(16) Uiso 1 1 d D . .
H6A H 0.3951 0.2790 0.2102 0.305 Uiso 1 1 calc R . .
H6B H 0.3574 0.2578 0.1711 0.305 Uiso 1 1 calc R . .
C7 C 0.276(2) 0.336(2) 0.0645(9) 0.25(2) Uiso 1 1 d D . .
H7A H 0.2317 0.3109 0.0552 0.298 Uiso 1 1 calc R . .
H7B H 0.2916 0.3812 0.0584 0.298 Uiso 1 1 calc R . .
C8 C 0.3445(19) 0.2978(19) -0.0113(10) 0.226(14) Uiso 1 1 d . . .
H8A H 0.3418 0.3077 -0.0379 0.272 Uiso 1 1 calc R . .
H8B H 0.3183 0.2507 -0.0087 0.272 Uiso 1 1 calc R . .
C9 C 0.3133(18) 0.325(2) 0.0104(12) 0.27(2) Uiso 1 1 d D . .
H9A H 0.3352 0.3714 0.0051 0.327 Uiso 1 1 calc R . .
H9B H 0.2688 0.3062 0.0011 0.327 Uiso 1 1 calc R . .
C2 C 0.411(2) 0.212(2) 0.0152(11) 0.243(15) Uiso 1 1 d . . .
H2A H 0.3635 0.1871 0.0146 0.291 Uiso 1 1 calc R . .
H2B H 0.4269 0.1846 0.0054 0.291 Uiso 1 1 calc R . .


_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
Sb Pd1 2.8491(14) . ?
Sb Pd1 2.8491(14) 19 ?
Sb Pd1 2.8491(14) 21 ?
Sb Pd1 2.8491(14) 20 ?
Sb Pd1 2.8491(14) 3 ?
Sb Pd1 2.8491(14) 2 ?
Sb Pd2 2.8502(15) 2 ?
Sb Pd2 2.8502(15) . ?
Sb Pd2 2.8502(15) 19 ?
Sb Pd2 2.8502(15) 3 ?
Sb Pd2 2.8502(15) 20 ?
Sb Pd2 2.8502(15) 21 ?
Sb1 Pd1 2.710(2) . ?
Sb1 Pd2 2.7118(17) . ?
Sb1 Pd2 2.7140(17) 2 ?
Sb1 Sb3 3.0915(19) 21 ?
Sb1 Sb2 3.1002(19) . ?
Sb1 Sb4 3.1122(16) . ?
Sb2 Pd1 2.7047(18) . ?
Sb2 Pd1 2.7054(19) 20 ?
Sb2 Pd2 2.7127(17) . ?
Sb2 Sb3 3.100(2) . ?
Sb2 Sb3 3.1152(19) 20 ?
Sb3 Pd2 2.7072(17) 21 ?
Sb3 Pd1 2.7091(19) . ?
Sb3 Pd1 2.7093(18) 20 ?
Sb3 Sb1 3.0915(19) 20 ?
Sb3 Sb2 3.1152(19) 21 ?
Pd1 Sb2 2.7054(19) 21 ?
Pd1 Sb3 2.7093(18) 21 ?
Pd1 Pd2 2.991(2) 21 ?
Pd1 Pd1 2.9927(16) 21 ?
Pd1 Pd1 2.9927(16) 20 ?
Pd1 Pd2 2.9984(18) . ?
Pd1 Pd2 3.0022(18) 2 ?
Sb4 Pd2 2.707(2) 3 ?
Sb4 Pd2 2.707(2) . ?
Sb4 Pd2 2.707(2) 2 ?
Sb4 Sb1 3.1122(16) 3 ?
Sb4 Sb1 3.1122(16) 2 ?
Pd2 Sb3 2.7072(17) 20 ?
Pd2 Sb1 2.7140(17) 3 ?
Pd2 Pd1 2.991(2) 20 ?
Pd2 Pd2 2.997(2) 2 ?
Pd2 Pd2 2.997(2) 3 ?
Pd2 Pd1 3.0022(18) 3 ?
K O3 2.806(19) 17_554 ?
K O3 2.806(19) . ?
K O2 2.862(18) . ?
K O2 2.862(18) 17_554 ?
K O1 2.865(18) 17_554 ?
K O1 2.865(18) . ?
K N1 3.06(2) 17_554 ?
K N1 3.06(2) . ?
K C7 3.54(4) 17_554 ?
K C7 3.54(4) . ?
N1 C1 1.445(10) . ?
N1 C6 1.47(4) 17_554 ?
N1 C8 1.56(4) . ?
O1 C2 1.31(3) . ?
O1 C3 1.38(3) . ?
O2 C4 1.31(3) . ?
O2 C5 1.46(4) . ?
O3 C9 1.20(4) . ?
O3 C7 1.303(10) . ?
C1 C2 1.38(4) . ?
C3 C4 1.447(10) . ?
C5 C6 1.401(19) . ?
C6 N1 1.47(4) 17_554 ?
C7 C7 1.32(6) 17_554 ?
C8 C9 1.42(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
Pd1 Sb Pd1 180.00(10) . 19 ?
Pd1 Sb Pd1 63.363(17) . 21 ?
Pd1 Sb Pd1 116.637(17) 19 21 ?
Pd1 Sb Pd1 63.363(17) . 20 ?
Pd1 Sb Pd1 116.637(17) 19 20 ?
Pd1 Sb Pd1 116.637(17) 21 20 ?
Pd1 Sb Pd1 116.637(17) . 3 ?
Pd1 Sb Pd1 63.363(17) 19 3 ?
Pd1 Sb Pd1 180.00(7) 21 3 ?
Pd1 Sb Pd1 63.363(17) 20 3 ?
Pd1 Sb Pd1 116.637(17) . 2 ?
Pd1 Sb Pd1 63.363(17) 19 2 ?
Pd1 Sb Pd1 63.363(17) 21 2 ?
Pd1 Sb Pd1 180.00(7) 20 2 ?
Pd1 Sb Pd1 116.637(17) 3 2 ?
Pd1 Sb Pd2 63.57(4) . 2 ?
Pd1 Sb Pd2 116.43(4) 19 2 ?
Pd1 Sb Pd2 63.31(4) 21 2 ?
Pd1 Sb Pd2 116.52(4) 20 2 ?
Pd1 Sb Pd2 116.69(4) 3 2 ?
Pd1 Sb Pd2 63.48(4) 2 2 ?
Pd1 Sb Pd2 63.48(4) . . ?
Pd1 Sb Pd2 116.52(4) 19 . ?
Pd1 Sb Pd2 116.43(4) 21 . ?
Pd1 Sb Pd2 63.31(4) 20 . ?
Pd1 Sb Pd2 63.57(4) 3 . ?
Pd1 Sb Pd2 116.69(4) 2 . ?
Pd2 Sb Pd2 63.44(5) 2 . ?
Pd1 Sb Pd2 116.52(4) . 19 ?
Pd1 Sb Pd2 63.48(4) 19 19 ?
Pd1 Sb Pd2 63.57(4) 21 19 ?
Pd1 Sb Pd2 116.69(4) 20 19 ?
Pd1 Sb Pd2 116.43(4) 3 19 ?
Pd1 Sb Pd2 63.31(4) 2 19 ?
Pd2 Sb Pd2 116.56(5) 2 19 ?
Pd2 Sb Pd2 180.00(6) . 19 ?
Pd1 Sb Pd2 116.69(4) . 3 ?
Pd1 Sb Pd2 63.31(4) 19 3 ?
Pd1 Sb Pd2 116.52(4) 21 3 ?
Pd1 Sb Pd2 116.43(4) 20 3 ?
Pd1 Sb Pd2 63.48(4) 3 3 ?
Pd1 Sb Pd2 63.57(4) 2 3 ?
Pd2 Sb Pd2 63.44(5) 2 3 ?
Pd2 Sb Pd2 63.44(5) . 3 ?
Pd2 Sb Pd2 116.56(5) 19 3 ?
Pd1 Sb Pd2 116.43(4) . 20 ?
Pd1 Sb Pd2 63.57(4) 19 20 ?
Pd1 Sb Pd2 116.69(4) 21 20 ?
Pd1 Sb Pd2 63.48(4) 20 20 ?
Pd1 Sb Pd2 63.31(4) 3 20 ?
Pd1 Sb Pd2 116.52(4) 2 20 ?
Pd2 Sb Pd2 180.00(6) 2 20 ?
Pd2 Sb Pd2 116.56(5) . 20 ?
Pd2 Sb Pd2 63.44(5) 19 20 ?
Pd2 Sb Pd2 116.56(5) 3 20 ?
Pd1 Sb Pd2 63.31(4) . 21 ?
Pd1 Sb Pd2 116.69(4) 19 21 ?
Pd1 Sb Pd2 63.48(4) 21 21 ?
Pd1 Sb Pd2 63.57(4) 20 21 ?
Pd1 Sb Pd2 116.52(4) 3 21 ?
Pd1 Sb Pd2 116.43(4) 2 21 ?
Pd2 Sb Pd2 116.56(5) 2 21 ?
Pd2 Sb Pd2 116.56(5) . 21 ?
Pd2 Sb Pd2 63.44(5) 19 21 ?
Pd2 Sb Pd2 180.00(9) 3 21 ?
Pd2 Sb Pd2 63.44(5) 20 21 ?
Pd1 Sb1 Pd2 67.15(5) . . ?
Pd1 Sb1 Pd2 67.22(5) . 2 ?
Pd2 Sb1 Pd2 67.06(6) . 2 ?
Pd1 Sb1 Sb3 55.21(4) . 21 ?
Pd2 Sb1 Sb3 108.85(5) . 21 ?
Pd2 Sb1 Sb3 55.13(4) 2 21 ?
Pd1 Sb1 Sb2 54.99(4) . . ?
Pd2 Sb1 Sb2 55.16(4) . . ?
Pd2 Sb1 Sb2 108.80(5) 2 . ?
Sb3 Sb1 Sb2 108.09(6) 21 . ?
Pd1 Sb1 Sb4 108.62(6) . . ?
Pd2 Sb1 Sb4 54.88(5) . . ?
Pd2 Sb1 Sb4 54.86(5) 2 . ?
Sb3 Sb1 Sb4 107.89(5) 21 . ?
Sb2 Sb1 Sb4 107.97(4) . . ?
Pd1 Sb2 Pd1 67.17(5) . 20 ?
Pd1 Sb2 Pd2 67.21(4) . . ?
Pd1 Sb2 Pd2 67.02(5) 20 . ?
Pd1 Sb2 Sb3 55.13(4) . . ?
Pd1 Sb2 Sb3 55.13(5) 20 . ?
Pd2 Sb2 Sb3 108.83(5) . . ?
Pd1 Sb2 Sb1 55.15(5) . . ?
Pd1 Sb2 Sb1 108.80(5) 20 . ?
Pd2 Sb2 Sb1 55.13(4) . . ?
Sb3 Sb2 Sb1 108.18(5) . . ?
Pd1 Sb2 Sb3 108.67(5) . 20 ?
Pd1 Sb2 Sb3 54.93(4) 20 20 ?
Pd2 Sb2 Sb3 54.83(4) . 20 ?
Sb3 Sb2 Sb3 107.96(5) . 20 ?
Sb1 Sb2 Sb3 107.86(5) . 20 ?
Pd2 Sb3 Pd1 67.04(5) 21 . ?
Pd2 Sb3 Pd1 67.32(4) 21 20 ?
Pd1 Sb3 Pd1 67.05(5) . 20 ?
Pd2 Sb3 Sb1 55.34(4) 21 20 ?
Pd1 Sb3 Sb1 108.88(5) . 20 ?
Pd1 Sb3 Sb1 55.22(5) 20 20 ?
Pd2 Sb3 Sb2 108.81(5) 21 . ?
Pd1 Sb3 Sb2 55.00(5) . . ?
Pd1 Sb3 Sb2 55.01(4) 20 . ?
Sb1 Sb3 Sb2 108.11(5) 20 . ?
Pd2 Sb3 Sb2 55.00(4) 21 21 ?
Pd1 Sb3 Sb2 54.82(4) . 21 ?
Pd1 Sb3 Sb2 108.69(5) 20 21 ?
Sb1 Sb3 Sb2 108.28(5) 20 21 ?
Sb2 Sb3 Sb2 107.66(5) . 21 ?
Sb2 Pd1 Sb2 136.09(6) . 21 ?
Sb2 Pd1 Sb3 69.87(5) . . ?
Sb2 Pd1 Sb3 70.25(6) 21 . ?
Sb2 Pd1 Sb3 135.56(7) . 21 ?
Sb2 Pd1 Sb3 69.86(5) 21 21 ?
Sb3 Pd1 Sb3 136.19(6) . 21 ?
Sb2 Pd1 Sb1 69.86(5) . . ?
Sb2 Pd1 Sb1 135.55(6) 21 . ?
Sb3 Pd1 Sb1 135.87(6) . . ?
Sb3 Pd1 Sb1 69.57(5) 21 . ?
Sb2 Pd1 Sb 103.06(4) . . ?
Sb2 Pd1 Sb 103.04(5) 21 . ?
Sb3 Pd1 Sb 102.95(5) . . ?
Sb3 Pd1 Sb 102.94(4) 21 . ?
Sb1 Pd1 Sb 102.97(5) . . ?
Sb2 Pd1 Pd2 112.11(5) . 21 ?
Sb2 Pd1 Pd2 56.61(5) 21 21 ?
Sb3 Pd1 Pd2 56.45(5) . 21 ?
Sb3 Pd1 Pd2 112.16(5) 21 21 ?
Sb1 Pd1 Pd2 161.33(6) . 21 ?
Sb Pd1 Pd2 58.36(3) . 21 ?
Sb2 Pd1 Pd1 161.38(4) . 21 ?
Sb2 Pd1 Pd1 56.40(5) 21 21 ?
Sb3 Pd1 Pd1 112.17(8) . 21 ?
Sb3 Pd1 Pd1 56.47(5) 21 21 ?
Sb1 Pd1 Pd1 111.78(6) . 21 ?
Sb Pd1 Pd1 58.319(9) . 21 ?
Pd2 Pd1 Pd1 60.14(5) 21 21 ?
Sb2 Pd1 Pd1 56.43(5) . 20 ?
Sb2 Pd1 Pd1 112.43(8) 21 20 ?
Sb3 Pd1 Pd1 56.48(5) . 20 ?
Sb3 Pd1 Pd1 161.26(4) 21 20 ?
Sb1 Pd1 Pd1 111.86(6) . 20 ?
Sb Pd1 Pd1 58.319(9) . 20 ?
Pd2 Pd1 Pd1 60.23(5) 21 20 ?
Pd1 Pd1 Pd1 108.22(5) 21 20 ?
Sb2 Pd1 Pd2 56.52(4) . . ?
Sb2 Pd1 Pd2 161.31(6) 21 . ?
Sb3 Pd1 Pd2 111.95(5) . . ?
Sb3 Pd1 Pd2 111.67(6) 21 . ?
Sb1 Pd1 Pd2 56.46(4) . . ?
Sb Pd1 Pd2 58.28(4) . . ?
Pd2 Pd1 Pd2 108.10(6) 21 . ?
Pd1 Pd1 Pd2 107.92(4) 21 . ?
Pd1 Pd1 Pd2 59.90(4) 20 . ?
Sb2 Pd1 Pd2 111.95(6) . 2 ?
Sb2 Pd1 Pd2 111.75(5) 21 2 ?
Sb3 Pd1 Pd2 161.18(6) . 2 ?
Sb3 Pd1 Pd2 56.31(4) 21 2 ?
Sb1 Pd1 Pd2 56.46(4) . 2 ?
Sb Pd1 Pd2 58.23(4) . 2 ?
Pd2 Pd1 Pd2 108.00(6) 21 2 ?
Pd1 Pd1 Pd2 59.86(4) 21 2 ?
Pd1 Pd1 Pd2 107.90(4) 20 2 ?
Pd2 Pd1 Pd2 59.93(5) . 2 ?
Pd2 Sb4 Pd2 67.22(7) 3 . ?
Pd2 Sb4 Pd2 67.22(6) 3 2 ?
Pd2 Sb4 Pd2 67.22(7) . 2 ?
Pd2 Sb4 Sb1 108.83(8) 3 . ?
Pd2 Sb4 Sb1 55.02(4) . . ?
Pd2 Sb4 Sb1 55.07(4) 2 . ?
Pd2 Sb4 Sb1 55.02(4) 3 3 ?
Pd2 Sb4 Sb1 55.07(4) . 3 ?
Pd2 Sb4 Sb1 108.83(8) 2 3 ?
Sb1 Sb4 Sb1 108.00(5) . 3 ?
Pd2 Sb4 Sb1 55.07(4) 3 2 ?
Pd2 Sb4 Sb1 108.83(8) . 2 ?
Pd2 Sb4 Sb1 55.02(4) 2 2 ?
Sb1 Sb4 Sb1 108.00(5) . 2 ?
Sb1 Sb4 Sb1 108.00(5) 3 2 ?
Sb4 Pd2 Sb3 135.74(6) . 20 ?
Sb4 Pd2 Sb1 70.10(4) . . ?
Sb3 Pd2 Sb1 135.96(6) 20 . ?
Sb4 Pd2 Sb2 135.99(6) . . ?
Sb3 Pd2 Sb2 70.17(5) 20 . ?
Sb1 Pd2 Sb2 69.71(5) . . ?
Sb4 Pd2 Sb1 70.07(4) . 3 ?
Sb3 Pd2 Sb1 69.54(5) 20 3 ?
Sb1 Pd2 Sb1 136.28(8) . 3 ?
Sb2 Pd2 Sb1 135.94(6) . 3 ?
Sb4 Pd2 Sb 102.89(5) . . ?
Sb3 Pd2 Sb 102.97(5) 20 . ?
Sb1 Pd2 Sb 102.89(5) . . ?
Sb2 Pd2 Sb 102.83(5) . . ?
Sb1 Pd2 Sb 102.84(5) 3 . ?
Sb4 Pd2 Pd1 161.21(6) . 20 ?
Sb3 Pd2 Pd1 56.51(4) 20 20 ?
Sb1 Pd2 Pd1 111.84(5) . 20 ?
Sb2 Pd2 Pd1 56.37(4) . 20 ?
Sb1 Pd2 Pd1 111.70(5) 3 20 ?
Sb Pd2 Pd1 58.33(4) . 20 ?
Sb4 Pd2 Pd2 56.39(3) . 2 ?
Sb3 Pd2 Pd2 161.25(4) 20 2 ?
Sb1 Pd2 Pd2 56.50(5) . 2 ?
Sb2 Pd2 Pd2 111.88(6) . 2 ?
Sb1 Pd2 Pd2 112.04(5) 3 2 ?
Sb Pd2 Pd2 58.28(2) . 2 ?
Pd1 Pd2 Pd2 108.07(4) 20 2 ?
Sb4 Pd2 Pd2 56.39(3) . 3 ?
Sb3 Pd2 Pd2 111.77(6) 20 3 ?
Sb1 Pd2 Pd2 112.10(5) . 3 ?
Sb2 Pd2 Pd2 161.11(4) . 3 ?
Sb1 Pd2 Pd2 56.44(5) 3 3 ?
Sb Pd2 Pd2 58.28(2) . 3 ?
Pd1 Pd2 Pd2 108.00(4) 20 3 ?
Pd2 Pd2 Pd2 60.0 2 3 ?
Sb4 Pd2 Pd1 112.06(5) . . ?
Sb3 Pd2 Pd1 112.05(6) 20 . ?
Sb1 Pd2 Pd1 56.39(5) . . ?
Sb2 Pd2 Pd1 56.27(4) . . ?
Sb1 Pd2 Pd1 161.08(6) 3 . ?
Sb Pd2 Pd1 58.24(4) . . ?
Pd1 Pd2 Pd1 59.95(4) 20 . ?
Pd2 Pd2 Pd1 60.10(5) 2 . ?
Pd2 Pd2 Pd1 108.03(4) 3 . ?
Sb4 Pd2 Pd1 111.94(5) . 3 ?
Sb3 Pd2 Pd1 56.37(4) 20 3 ?
Sb1 Pd2 Pd1 161.09(6) . 3 ?
Sb2 Pd2 Pd1 111.93(6) . 3 ?
Sb1 Pd2 Pd1 56.32(5) 3 3 ?
Sb Pd2 Pd1 58.20(4) . 3 ?
Pd1 Pd2 Pd1 59.91(4) 20 3 ?
Pd2 Pd2 Pd1 107.93(4) 2 3 ?
Pd2 Pd2 Pd1 59.97(4) 3 3 ?
Pd1 Pd2 Pd1 107.82(7) . 3 ?
O3 K O3 59.5(12) 17_554 . ?
O3 K O2 95.5(7) 17_554 . ?
O3 K O2 121.0(6) . . ?
O3 K O2 121.0(6) 17_554 17_554 ?
O3 K O2 95.5(7) . 17_554 ?
O2 K O2 138.7(9) . 17_554 ?
O3 K O1 99.1(7) 17_554 17_554 ?
O3 K O1 135.6(6) . 17_554 ?
O2 K O1 97.9(6) . 17_554 ?
O2 K O1 60.6(6) 17_554 17_554 ?
O3 K O1 135.5(6) 17_554 . ?
O3 K O1 99.1(7) . . ?
O2 K O1 60.6(6) . . ?
O2 K O1 97.9(6) 17_554 . ?
O1 K O1 119.7(8) 17_554 . ?
O3 K N1 61.8(8) 17_554 17_554 ?
O3 K N1 120.9(9) . 17_554 ?
O2 K N1 58.3(6) . 17_554 ?
O2 K N1 120.6(7) 17_554 17_554 ?
O1 K N1 60.6(8) 17_554 17_554 ?
O1 K N1 117.8(7) . 17_554 ?
O3 K N1 120.9(9) 17_554 . ?
O3 K N1 61.8(8) . . ?
O2 K N1 120.6(7) . . ?
O2 K N1 58.3(6) 17_554 . ?
O1 K N1 117.8(7) 17_554 . ?
O1 K N1 60.6(8) . . ?
N1 K N1 177.3(12) 17_554 . ?
O3 K C7 19.7(6) 17_554 17_554 ?
O3 K C7 40.1(9) . 17_554 ?
O2 K C7 102.9(8) . 17_554 ?
O2 K C7 117.9(8) 17_554 17_554 ?
O1 K C7 115.5(8) 17_554 17_554 ?
O1 K C7 123.8(8) . 17_554 ?
N1 K C7 80.8(8) 17_554 17_554 ?
N1 K C7 101.9(7) . 17_554 ?
O3 K C7 40.1(9) 17_554 . ?
O3 K C7 19.7(6) . . ?
O2 K C7 117.9(8) . . ?
O2 K C7 102.9(8) 17_554 . ?
O1 K C7 123.8(8) 17_554 . ?
O1 K C7 115.5(8) . . ?
N1 K C7 101.9(7) 17_554 . ?
N1 K C7 80.8(8) . . ?
C7 K C7 21.5(9) 17_554 . ?
C1 N1 C6 131(3) . 17_554 ?
C1 N1 C8 115(3) . . ?
C6 N1 C8 102(3) 17_554 . ?
C1 N1 K 104(2) . . ?
C6 N1 K 100.7(16) 17_554 . ?
C8 N1 K 100.1(17) . . ?
C2 O1 C3 120(3) . . ?
C2 O1 K 116(2) . . ?
C3 O1 K 110.1(16) . . ?
C4 O2 C5 117(2) . . ?
C4 O2 K 116(2) . . ?
C5 O2 K 115.5(18) . . ?
C9 O3 C7 118(3) . . ?
C9 O3 K 119(2) . . ?
C7 O3 K 114(3) . . ?
C2 C1 N1 124(4) . . ?
O1 C3 C4 119(3) . . ?
O2 C4 C3 115(3) . . ?
C6 C5 O2 101(2) . . ?
C5 C6 N1 109(4) . 17_554 ?
O3 C7 C7 121(3) . 17_554 ?
O3 C7 K 46.7(19) . . ?
C7 C7 K 79.2(5) 17_554 . ?
C9 C8 N1 122(3) . . ?
O3 C9 C8 118(4) . . ?
O1 C2 C1 117(4) . . ?

_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        24.25
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         0.733
_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.120


# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.250 215 31 ' '
2 0.000 0.000 0.750 215 31 ' '
3 0.333 0.667 0.417 220 31 ' '
4 0.333 0.667 0.917 220 31 ' '
5 0.667 0.333 0.083 220 31 ' '
6 0.667 0.333 0.583 220 31 ' '
_platon_squeeze_details          
;
;
####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1511293'
_audit_update_record             
;
2016-10-28 deposited with the CCDC.
2017-02-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C108 H216 K8 N12 O48 Pd24 Sb42'
_chemical_formula_weight         10430.83

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Cubic
_symmetry_space_group_name_H-M   Pa-3

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'z, x, y'
'y, z, x'
'-y+1/2, -z, x+1/2'
'z+1/2, -x+1/2, -y'
'-y, z+1/2, -x+1/2'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y+1/2, -z+1/2, -x'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'-z, -x, -y'
'-y, -z, -x'
'y-1/2, z, -x-1/2'
'-z-1/2, x-1/2, y'
'y, -z-1/2, x-1/2'
'z-1/2, x, -y-1/2'
'z, -x-1/2, y-1/2'
'-y-1/2, z-1/2, x'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   29.590(2)
_cell_length_b                   29.590(2)
_cell_length_c                   29.590(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     25909(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    58255
_cell_measurement_theta_min      2.0639
_cell_measurement_theta_max      27.5359

_exptl_crystal_description       Plate
_exptl_crystal_colour            Black
_exptl_crystal_size_max          0.0500
_exptl_crystal_size_mid          0.0500
_exptl_crystal_size_min          0.0300
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             18920
_exptl_absorpt_coefficient_mu    6.087
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8006
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
???? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            159785
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_sigmaI/netI    0.0131
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.06
_diffrn_reflns_theta_max         24.74
_reflns_number_total             7360
_reflns_number_gt                7237
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0682P)²+145.3401P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7360
_refine_ls_number_parameters     238
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0745
_refine_ls_wR_factor_ref         0.1906
_refine_ls_wR_factor_gt          0.1894
_refine_ls_goodness_of_fit_ref   1.286
_refine_ls_restrained_S_all      1.286
_refine_ls_shift/su_max          0.043
_refine_ls_shift/su_mean         0.005

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.65874(3) 0.84126(3) 0.15874(3) 0.0721(4) Uani 1 3 d S . .
Sb1 Sb 0.72895(4) 0.92402(4) 0.25716(4) 0.1091(4) Uani 1 1 d . . .
Sb2 Sb 0.69887(4) 0.98178(3) 0.17474(4) 0.0999(3) Uani 1 1 d . . .
Sb3 Sb 0.59476(4) 0.97310(3) 0.16578(4) 0.0990(3) Uani 1 1 d . . .
Sb4 Sb 0.56110(4) 0.91043(4) 0.24340(4) 0.1004(3) Uani 1 1 d . . .
Sb5 Sb 0.64394(4) 0.88023(4) 0.29992(3) 0.1024(3) Uani 1 1 d . . .
Sb6 Sb 0.74346(3) 0.75654(3) 0.24346(3) 0.1010(5) Uani 1 3 d S . .
Sb7 Sb 0.65245(4) 0.77657(4) 0.29074(3) 0.1000(3) Uani 1 1 d . . .
Sb8 Sb 0.57342(3) 0.92658(3) 0.07342(3) 0.0936(5) Uani 1 3 d S . .
Pd1 Pd 0.64767(4) 0.91789(4) 0.21595(4) 0.0881(3) Uani 1 1 d . . .
Pd2 Pd 0.70244(4) 0.83780(4) 0.24449(4) 0.0902(3) Uani 1 1 d . . .
Pd3 Pd 0.65570(4) 0.92715(4) 0.11503(4) 0.0843(3) Uani 1 1 d . . .
Pd4 Pd 0.60225(4) 0.82983(4) 0.23568(4) 0.0889(3) Uani 1 1 d . . .
K1 K 0.5530(3) 1.0530(3) 0.4470(3) 0.203(5) Uani 1 3 d S . .
K2 K 0.86340(15) 0.04419(14) 0.29544(14) 0.1196(12) Uani 1 1 d . . .
O1 O 0.4700(7) 1.0424(7) 0.3981(7) 0.194(2) Uani 1 1 d . . .
O2 O 0.5437(7) 0.9831(7) 0.3860(7) 0.194(2) Uani 1 1 d . . .
O3 O 0.9238(7) -0.0232(7) 0.3191(7) 0.194(2) Uani 1 1 d . . .
O4 O 0.9148(5) 0.0537(6) 0.3771(5) 0.152(5) Uani 1 1 d . . .
O5 O 0.8405(6) 0.1112(5) 0.3582(7) 0.166(6) Uani 1 1 d . . .
O6 O 0.8040(7) 0.1131(7) 0.2717(7) 0.194(2) Uani 1 1 d . . .
O7 O 0.8166(7) 0.0425(7) 0.2128(6) 0.180(6) Uani 1 1 d . . .
O8 O 0.8908(5) -0.0178(6) 0.2278(5) 0.153(5) Uani 1 1 d . . .
C1 C 0.4806(11) 1.0235(10) 0.3543(10) 0.194(2) Uani 1 1 d . . .
H1A H 0.5016 1.0430 0.3384 0.232 Uiso 1 1 calc R . .
H1B H 0.4533 1.0208 0.3363 0.232 Uiso 1 1 calc R . .
C2 C 0.5011(11) 0.9782(10) 0.3612(10) 0.194(2) Uani 1 1 d . . .
H2A H 0.4805 0.9592 0.3783 0.232 Uiso 1 1 calc R . .
H2B H 0.5066 0.9639 0.3323 0.232 Uiso 1 1 calc R . .
C3 C 0.5591(10) 0.9425(10) 0.3945(10) 0.194(2) Uani 1 1 d . . .
H3A H 0.5610 0.9247 0.3671 0.232 Uiso 1 1 calc R . .
H3B H 0.5400 0.9270 0.4161 0.232 Uiso 1 1 calc R . .
C4 C 0.6059(11) 0.9512(10) 0.4142(10) 0.194(2) Uani 1 1 d . . .
H4A H 0.6226 0.9230 0.4158 0.232 Uiso 1 1 calc R . .
H4B H 0.6224 0.9717 0.3947 0.232 Uiso 1 1 calc R . .
C5 C 0.9517(11) -0.0107(11) 0.3531(11) 0.194(2) Uani 1 1 d . . .
H5A H 0.9671 -0.0377 0.3636 0.232 Uiso 1 1 calc R . .
H5B H 0.9747 0.0089 0.3402 0.232 Uiso 1 1 calc R . .
C6 C 0.9348(11) 0.0104(10) 0.3898(11) 0.194(2) Uani 1 1 d . . .
H6A H 0.9587 0.0153 0.4116 0.232 Uiso 1 1 calc R . .
H6B H 0.9119 -0.0085 0.4037 0.232 Uiso 1 1 calc R . .
C7 C 0.8923(11) 0.0736(9) 0.4106(11) 0.194(2) Uani 1 1 d D . .
H7A H 0.9126 0.0792 0.4357 0.232 Uiso 1 1 calc R . .
H7B H 0.8684 0.0537 0.4210 0.232 Uiso 1 1 calc R . .
C8 C 0.8722(11) 0.1172(9) 0.3952(11) 0.194(2) Uani 1 1 d D . .
H8A H 0.8568 0.1314 0.4204 0.232 Uiso 1 1 calc R . .
H8B H 0.8963 0.1373 0.3856 0.232 Uiso 1 1 calc R . .
C9 C 0.8271(11) 0.1494(10) 0.3416(10) 0.194(2) Uani 1 1 d D . .
H9A H 0.8526 0.1662 0.3298 0.232 Uiso 1 1 calc R . .
H9B H 0.8127 0.1674 0.3649 0.232 Uiso 1 1 calc R . .
C10 C 0.7944(10) 0.1390(10) 0.3047(10) 0.194(2) Uani 1 1 d D . .
H10A H 0.7678 0.1264 0.3191 0.232 Uiso 1 1 calc R . .
H10B H 0.7854 0.1677 0.2918 0.232 Uiso 1 1 calc R . .
C11 C 0.7758(11) 0.1056(10) 0.2414(10) 0.194(2) Uani 1 1 d D . .
H11A H 0.7631 0.1342 0.2317 0.232 Uiso 1 1 calc R . .
H11B H 0.7514 0.0878 0.2542 0.232 Uiso 1 1 calc R . .
C12 C 0.7933(11) 0.0816(10) 0.2009(9) 0.194(2) Uani 1 1 d D . .
H12A H 0.7683 0.0737 0.1813 0.232 Uiso 1 1 calc R . .
H12B H 0.8134 0.1015 0.1843 0.232 Uiso 1 1 calc R . .
C13 C 0.8370(11) 0.0175(11) 0.1821(12) 0.194(2) Uani 1 1 d . . .
H13A H 0.8611 0.0357 0.1695 0.232 Uiso 1 1 calc R . .
H13B H 0.8154 0.0125 0.1580 0.232 Uiso 1 1 calc R . .
C14 C 0.8561(10) -0.0256(10) 0.1930(11) 0.194(2) Uani 1 1 d . . .
H14A H 0.8695 -0.0391 0.1664 0.232 Uiso 1 1 calc R . .
H14B H 0.8329 -0.0457 0.2045 0.232 Uiso 1 1 calc R . .
C15 C 0.9028(12) -0.0528(12) 0.2444(12) 0.194(2) Uani 1 1 d . . .
H15A H 0.9133 -0.0722 0.2202 0.232 Uiso 1 1 calc R . .
H15B H 0.8764 -0.0671 0.2576 0.232 Uiso 1 1 calc R . .
C16 C 0.9370(11) -0.0511(9) 0.2779(11) 0.217(16) Uani 1 1 d . . .
H16A H 0.9642 -0.0383 0.2648 0.261 Uiso 1 1 calc R . .
H16B H 0.9440 -0.0816 0.2875 0.261 Uiso 1 1 calc R . .
N1 N 0.9234(8) 0.1049(8) 0.2460(8) 0.194(2) Uani 1 1 d D . .
N2 N 0.7941(13) -0.0040(16) 0.3359(10) 0.35(3) Uani 1 1 d . . .
C17 C 0.9713(8) 0.0957(9) 0.2495(10) 0.194(2) Uani 1 1 d D . .
H17A H 0.9859 0.1006 0.2206 0.232 Uiso 1 1 calc R . .
H17B H 0.9762 0.0646 0.2585 0.232 Uiso 1 1 calc R . .
C18 C 0.9902(11) 0.1272(10) 0.2842(10) 0.194(2) Uani 1 1 d D . .
H18A H 0.9749 0.1162 0.3111 0.232 Uiso 1 1 calc R . .
H18B H 1.0207 0.1154 0.2869 0.232 Uiso 1 1 calc R . .


_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
Sb Pd4 2.8445(12) 5_566 ?
Sb Pd4 2.8445(12) 4_664 ?
Sb Pd4 2.8445(12) . ?
Sb Pd1 2.8486(12) 5_566 ?
Sb Pd1 2.8486(12) . ?
Sb Pd1 2.8486(12) 4_664 ?
Sb Pd2 2.8496(15) . ?
Sb Pd2 2.8496(15) 5_566 ?
Sb Pd2 2.8496(15) 4_664 ?
Sb Pd3 2.8533(15) 5_566 ?
Sb Pd3 2.8533(15) . ?
Sb Pd3 2.8533(15) 4_664 ?
Sb1 Pd2 2.6955(16) . ?
Sb1 Pd4 2.6964(16) 5_566 ?
Sb1 Pd1 2.7029(16) . ?
Sb1 Sb7 3.0756(17) 5_566 ?
Sb1 Sb5 3.0996(18) . ?
Sb1 Sb2 3.1083(16) . ?
Sb2 Pd1 2.7123(15) . ?
Sb2 Pd3 2.7141(15) . ?
Sb2 Pd4 2.7178(16) 5_566 ?
Sb2 Sb3 3.1028(16) . ?
Sb2 Sb4 3.1142(17) 5_566 ?
Sb3 Pd3 2.7036(15) 4_664 ?
Sb3 Pd1 2.7064(15) . ?
Sb3 Pd3 2.7121(15) . ?
Sb3 Sb4 3.1155(16) . ?
Sb3 Sb8 3.1244(13) . ?
Sb4 Pd4 2.6875(15) . ?
Sb4 Pd1 2.6962(16) . ?
Sb4 Pd3 2.7246(15) 4_664 ?
Sb4 Sb5 3.0989(16) . ?
Sb4 Sb2 3.1142(17) 4_664 ?
Sb5 Pd2 2.6949(16) . ?
Sb5 Pd4 2.7128(16) . ?
Sb5 Pd1 2.7252(15) . ?
Sb5 Sb7 3.0895(16) . ?
Sb6 Pd2 2.6935(16) 5_566 ?
Sb6 Pd2 2.6935(16) 4_664 ?
Sb6 Pd2 2.6935(16) . ?
Sb6 Sb7 3.0920(12) 5_566 ?
Sb6 Sb7 3.0920(12) 4_664 ?
Sb6 Sb7 3.0920(12) . ?
Sb7 Pd2 2.7018(16) 4_664 ?
Sb7 Pd2 2.7098(16) . ?
Sb7 Pd4 2.7102(15) . ?
Sb7 Sb1 3.0756(17) 4_664 ?
Sb8 Pd3 2.7282(16) . ?
Sb8 Pd3 2.7282(16) 5_566 ?
Sb8 Pd3 2.7282(16) 4_664 ?
Sb8 Sb3 3.1244(13) 5_566 ?
Sb8 Sb3 3.1244(13) 4_664 ?
Pd1 Pd4 2.9893(16) . ?
Pd1 Pd2 2.9926(15) . ?
Pd1 Pd4 2.9954(16) 5_566 ?
Pd1 Pd3 3.0048(16) 4_664 ?
Pd1 Pd3 3.0083(16) . ?
Pd2 Sb7 2.7018(16) 5_566 ?
Pd2 Pd2 2.982(2) 5_566 ?
Pd2 Pd2 2.982(2) 4_664 ?
Pd2 Pd4 2.9853(16) . ?
Pd2 Pd4 2.9918(16) 5_566 ?
Pd3 Sb3 2.7036(15) 5_566 ?
Pd3 Sb4 2.7246(15) 5_566 ?
Pd3 Pd3 3.0028(19) 5_566 ?
Pd3 Pd3 3.0028(19) 4_664 ?
Pd3 Pd4 3.0032(15) 5_566 ?
Pd3 Pd1 3.0048(16) 5_566 ?
Pd4 Sb1 2.6964(16) 4_664 ?
Pd4 Sb2 2.7178(16) 4_664 ?
Pd4 Pd2 2.9918(16) 4_664 ?
Pd4 Pd1 2.9954(16) 4_664 ?
Pd4 Pd3 3.0032(15) 4_664 ?
K1 O2 2.76(2) . ?
K1 O2 2.76(2) 9_466 ?
K1 O2 2.76(2) 8_656 ?
K1 O1 2.87(2) . ?
K1 O1 2.87(2) 9_466 ?
K1 O1 2.87(2) 8_656 ?
K1 C4 3.53(3) 8_656 ?
K1 C4 3.53(3) 9_466 ?
K1 C4 3.53(3) . ?
K2 O3 2.77(2) . ?
K2 N2 2.77(3) . ?
K2 O6 2.78(2) . ?
K2 O5 2.799(16) . ?
K2 O7 2.810(18) . ?
K2 O8 2.833(15) . ?
K2 O4 2.870(15) . ?
K2 N1 2.92(2) . ?
K2 C15 3.45(4) . ?
K2 C10 3.48(3) . ?
K2 C5 3.52(3) . ?
K2 C13 3.53(4) . ?
O1 C4 1.40(3) 9_466 ?
O1 C1 1.45(3) . ?
O2 C3 1.31(3) . ?
O2 C2 1.47(3) . ?
O3 C5 1.35(3) . ?
O3 C16 1.52(3) . ?
O4 C7 1.33(3) . ?
O4 C6 1.46(3) . ?
O5 C9 1.29(3) . ?
O5 C8 1.45(3) . ?
O6 C11 1.24(3) . ?
O6 C10 1.27(3) . ?
O7 C13 1.32(3) . ?
O7 C12 1.39(3) . ?
O8 C15 1.20(3) . ?
O8 C14 1.47(3) . ?
C1 C2 1.48(3) . ?
C3 C4 1.52(4) . ?
C4 O1 1.40(3) 8_656 ?
C5 C6 1.35(3) . ?
C7 C8 1.490(10) . ?
C9 C10 1.491(10) . ?
C11 C12 1.486(10) . ?
C13 C14 1.43(4) . ?
C15 C16 1.42(4) . ?
N1 C17 1.445(10) . ?
N2 C18 1.14(3) 19_646 ?
C17 C18 1.495(10) . ?
C18 N2 1.14(3) 18_665 ?

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
Pd4 Sb Pd4 116.43(2) 5_566 4_664 ?
Pd4 Sb Pd4 116.43(2) 5_566 . ?
Pd4 Sb Pd4 116.43(2) 4_664 . ?
Pd4 Sb Pd1 63.35(3) 5_566 5_566 ?
Pd4 Sb Pd1 63.49(3) 4_664 5_566 ?
Pd4 Sb Pd1 179.50(7) . 5_566 ?
Pd4 Sb Pd1 63.49(3) 5_566 . ?
Pd4 Sb Pd1 179.50(7) 4_664 . ?
Pd4 Sb Pd1 63.35(3) . . ?
Pd1 Sb Pd1 116.73(2) 5_566 . ?
Pd4 Sb Pd1 179.50(7) 5_566 4_664 ?
Pd4 Sb Pd1 63.35(3) 4_664 4_664 ?
Pd4 Sb Pd1 63.49(3) . 4_664 ?
Pd1 Sb Pd1 116.73(2) 5_566 4_664 ?
Pd1 Sb Pd1 116.73(2) . 4_664 ?
Pd4 Sb Pd2 63.39(4) 5_566 . ?
Pd4 Sb Pd2 116.14(5) 4_664 . ?
Pd4 Sb Pd2 63.24(4) . . ?
Pd1 Sb Pd2 116.31(4) 5_566 . ?
Pd1 Sb Pd2 63.36(3) . . ?
Pd1 Sb Pd2 116.25(4) 4_664 . ?
Pd4 Sb Pd2 63.24(4) 5_566 5_566 ?
Pd4 Sb Pd2 63.39(4) 4_664 5_566 ?
Pd4 Sb Pd2 116.14(5) . 5_566 ?
Pd1 Sb Pd2 63.36(3) 5_566 5_566 ?
Pd1 Sb Pd2 116.25(4) . 5_566 ?
Pd1 Sb Pd2 116.31(4) 4_664 5_566 ?
Pd2 Sb Pd2 63.11(5) . 5_566 ?
Pd4 Sb Pd2 116.14(5) 5_566 4_664 ?
Pd4 Sb Pd2 63.24(4) 4_664 4_664 ?
Pd4 Sb Pd2 63.39(4) . 4_664 ?
Pd1 Sb Pd2 116.25(4) 5_566 4_664 ?
Pd1 Sb Pd2 116.31(4) . 4_664 ?
Pd1 Sb Pd2 63.36(3) 4_664 4_664 ?
Pd2 Sb Pd2 63.11(5) . 4_664 ?
Pd2 Sb Pd2 63.11(5) 5_566 4_664 ?
Pd4 Sb Pd3 116.75(4) 5_566 5_566 ?
Pd4 Sb Pd3 63.62(3) 4_664 5_566 ?
Pd4 Sb Pd3 116.76(4) . 5_566 ?
Pd1 Sb Pd3 63.69(4) 5_566 5_566 ?
Pd1 Sb Pd3 116.88(5) . 5_566 ?
Pd1 Sb Pd3 63.60(4) 4_664 5_566 ?
Pd2 Sb Pd3 179.74(5) . 5_566 ?
Pd2 Sb Pd3 116.74(3) 5_566 5_566 ?
Pd2 Sb Pd3 116.65(3) 4_664 5_566 ?
Pd4 Sb Pd3 63.62(3) 5_566 . ?
Pd4 Sb Pd3 116.76(4) 4_664 . ?
Pd4 Sb Pd3 116.75(4) . . ?
Pd1 Sb Pd3 63.60(4) 5_566 . ?
Pd1 Sb Pd3 63.69(4) . . ?
Pd1 Sb Pd3 116.88(5) 4_664 . ?
Pd2 Sb Pd3 116.74(3) . . ?
Pd2 Sb Pd3 116.65(3) 5_566 . ?
Pd2 Sb Pd3 179.75(5) 4_664 . ?
Pd3 Sb Pd3 63.50(4) 5_566 . ?
Pd4 Sb Pd3 116.76(4) 5_566 4_664 ?
Pd4 Sb Pd3 116.75(4) 4_664 4_664 ?
Pd4 Sb Pd3 63.62(3) . 4_664 ?
Pd1 Sb Pd3 116.88(5) 5_566 4_664 ?
Pd1 Sb Pd3 63.60(4) . 4_664 ?
Pd1 Sb Pd3 63.69(4) 4_664 4_664 ?
Pd2 Sb Pd3 116.65(3) . 4_664 ?
Pd2 Sb Pd3 179.74(5) 5_566 4_664 ?
Pd2 Sb Pd3 116.74(3) 4_664 4_664 ?
Pd3 Sb Pd3 63.50(4) 5_566 4_664 ?
Pd3 Sb Pd3 63.50(4) . 4_664 ?
Pd2 Sb1 Pd4 67.40(4) . 5_566 ?
Pd2 Sb1 Pd1 67.33(4) . . ?
Pd4 Sb1 Pd1 67.39(4) 5_566 . ?
Pd2 Sb1 Sb7 55.36(4) . 5_566 ?
Pd4 Sb1 Sb7 55.54(4) 5_566 5_566 ?
Pd1 Sb1 Sb7 109.46(5) . 5_566 ?
Pd2 Sb1 Sb5 54.89(4) . . ?
Pd4 Sb1 Sb5 109.21(5) 5_566 . ?
Pd1 Sb1 Sb5 55.52(4) . . ?
Sb7 Sb1 Sb5 107.90(5) 5_566 . ?
Pd2 Sb1 Sb2 109.14(4) . . ?
Pd4 Sb1 Sb2 55.29(4) 5_566 . ?
Pd1 Sb1 Sb2 55.11(4) . . ?
Sb7 Sb1 Sb2 108.67(5) 5_566 . ?
Sb5 Sb1 Sb2 108.52(5) . . ?
Pd1 Sb2 Pd3 67.34(4) . . ?
Pd1 Sb2 Pd4 66.96(4) . 5_566 ?
Pd3 Sb2 Pd4 67.13(4) . 5_566 ?
Pd1 Sb2 Sb3 54.98(4) . . ?
Pd3 Sb2 Sb3 55.09(4) . . ?
Pd4 Sb2 Sb3 108.54(4) 5_566 . ?
Pd1 Sb2 Sb1 54.83(4) . . ?
Pd3 Sb2 Sb1 108.55(4) . . ?
Pd4 Sb2 Sb1 54.64(4) 5_566 . ?
Sb3 Sb2 Sb1 107.81(4) . . ?
Pd1 Sb2 Sb4 108.44(4) . 5_566 ?
Pd3 Sb2 Sb4 55.23(4) . 5_566 ?
Pd4 Sb2 Sb4 54.37(4) 5_566 5_566 ?
Sb3 Sb2 Sb4 108.50(4) . 5_566 ?
Sb1 Sb2 Sb4 106.85(4) . 5_566 ?
Pd3 Sb3 Pd1 67.48(4) 4_664 . ?
Pd3 Sb3 Pd3 67.35(5) 4_664 . ?
Pd1 Sb3 Pd3 67.45(4) . . ?
Pd3 Sb3 Sb2 109.11(4) 4_664 . ?
Pd1 Sb3 Sb2 55.16(4) . . ?
Pd3 Sb3 Sb2 55.15(4) . . ?
Pd3 Sb3 Sb4 55.29(4) 4_664 . ?
Pd1 Sb3 Sb4 54.63(4) . . ?
Pd3 Sb3 Sb4 108.81(4) . . ?
Sb2 Sb3 Sb4 107.67(4) . . ?
Pd3 Sb3 Sb8 55.26(4) 4_664 . ?
Pd1 Sb3 Sb8 109.31(5) . . ?
Pd3 Sb3 Sb8 55.19(4) . . ?
Sb2 Sb3 Sb8 108.17(4) . . ?
Sb4 Sb3 Sb8 108.54(4) . . ?
Pd4 Sb4 Pd1 67.45(4) . . ?
Pd4 Sb4 Pd3 67.40(4) . 4_664 ?
Pd1 Sb4 Pd3 67.32(4) . 4_664 ?
Pd4 Sb4 Sb5 55.37(4) . . ?
Pd1 Sb4 Sb5 55.58(4) . . ?
Pd3 Sb4 Sb5 109.47(4) 4_664 . ?
Pd4 Sb4 Sb2 55.28(4) . 4_664 ?
Pd1 Sb4 Sb2 109.01(4) . 4_664 ?
Pd3 Sb4 Sb2 54.91(4) 4_664 4_664 ?
Sb5 Sb4 Sb2 108.49(4) . 4_664 ?
Pd4 Sb4 Sb3 108.70(4) . . ?
Pd1 Sb4 Sb3 54.94(4) . . ?
Pd3 Sb4 Sb3 54.66(4) 4_664 . ?
Sb5 Sb4 Sb3 108.46(5) . . ?
Sb2 Sb4 Sb3 107.45(4) 4_664 . ?
Pd2 Sb5 Pd4 67.01(4) . . ?
Pd2 Sb5 Pd1 67.02(4) . . ?
Pd4 Sb5 Pd1 66.69(4) . . ?
Pd2 Sb5 Sb7 55.36(4) . . ?
Pd4 Sb5 Sb7 55.23(4) . . ?
Pd1 Sb5 Sb7 108.82(4) . . ?
Pd2 Sb5 Sb4 108.30(4) . . ?
Pd4 Sb5 Sb4 54.60(4) . . ?
Pd1 Sb5 Sb4 54.70(4) . . ?
Sb7 Sb5 Sb4 107.66(5) . . ?
Pd2 Sb5 Sb1 54.91(4) . . ?
Pd4 Sb5 Sb1 108.23(4) . . ?
Pd1 Sb5 Sb1 54.84(4) . . ?
Sb7 Sb5 Sb1 108.24(4) . . ?
Sb4 Sb5 Sb1 107.53(4) . . ?
Pd2 Sb6 Pd2 67.23(5) 5_566 4_664 ?
Pd2 Sb6 Pd2 67.23(5) 5_566 . ?
Pd2 Sb6 Pd2 67.23(5) 4_664 . ?
Pd2 Sb6 Sb7 55.34(4) 5_566 5_566 ?
Pd2 Sb6 Sb7 109.11(6) 4_664 5_566 ?
Pd2 Sb6 Sb7 55.16(4) . 5_566 ?
Pd2 Sb6 Sb7 55.16(4) 5_566 4_664 ?
Pd2 Sb6 Sb7 55.34(4) 4_664 4_664 ?
Pd2 Sb6 Sb7 109.11(6) . 4_664 ?
Sb7 Sb6 Sb7 108.30(3) 5_566 4_664 ?
Pd2 Sb6 Sb7 109.11(6) 5_566 . ?
Pd2 Sb6 Sb7 55.16(4) 4_664 . ?
Pd2 Sb6 Sb7 55.34(4) . . ?
Sb7 Sb6 Sb7 108.30(3) 5_566 . ?
Sb7 Sb6 Sb7 108.30(3) 4_664 . ?
Pd2 Sb7 Pd2 66.88(5) 4_664 . ?
Pd2 Sb7 Pd4 67.12(4) 4_664 . ?
Pd2 Sb7 Pd4 66.84(4) . . ?
Pd2 Sb7 Sb1 55.17(4) 4_664 4_664 ?
Pd2 Sb7 Sb1 108.56(4) . 4_664 ?
Pd4 Sb7 Sb1 55.12(4) . 4_664 ?
Pd2 Sb7 Sb5 108.83(4) 4_664 . ?
Pd2 Sb7 Sb5 54.91(4) . . ?
Pd4 Sb7 Sb5 55.31(4) . . ?
Sb1 Sb7 Sb5 108.33(4) 4_664 . ?
Pd2 Sb7 Sb6 54.91(4) 4_664 . ?
Pd2 Sb7 Sb6 54.84(4) . . ?
Pd4 Sb7 Sb6 108.46(5) . . ?
Sb1 Sb7 Sb6 108.03(4) 4_664 . ?
Sb5 Sb7 Sb6 107.52(4) . . ?
Pd3 Sb8 Pd3 66.78(5) . 5_566 ?
Pd3 Sb8 Pd3 66.78(5) . 4_664 ?
Pd3 Sb8 Pd3 66.78(5) 5_566 4_664 ?
Pd3 Sb8 Sb3 54.71(3) . . ?
Pd3 Sb8 Sb3 107.91(5) 5_566 . ?
Pd3 Sb8 Sb3 54.52(3) 4_664 . ?
Pd3 Sb8 Sb3 54.52(3) . 5_566 ?
Pd3 Sb8 Sb3 54.71(3) 5_566 5_566 ?
Pd3 Sb8 Sb3 107.91(5) 4_664 5_566 ?
Sb3 Sb8 Sb3 107.32(3) . 5_566 ?
Pd3 Sb8 Sb3 107.91(5) . 4_664 ?
Pd3 Sb8 Sb3 54.52(3) 5_566 4_664 ?
Pd3 Sb8 Sb3 54.71(3) 4_664 4_664 ?
Sb3 Sb8 Sb3 107.32(3) . 4_664 ?
Sb3 Sb8 Sb3 107.32(3) 5_566 4_664 ?
Sb4 Pd1 Sb1 135.64(6) . . ?
Sb4 Pd1 Sb3 70.43(4) . . ?
Sb1 Pd1 Sb3 136.20(6) . . ?
Sb4 Pd1 Sb2 136.32(5) . . ?
Sb1 Pd1 Sb2 70.06(4) . . ?
Sb3 Pd1 Sb2 69.86(4) . . ?
Sb4 Pd1 Sb5 69.72(4) . . ?
Sb1 Pd1 Sb5 69.64(5) . . ?
Sb3 Pd1 Sb5 136.35(6) . . ?
Sb2 Pd1 Sb5 135.85(6) . . ?
Sb4 Pd1 Sb 102.90(4) . . ?
Sb1 Pd1 Sb 102.66(5) . . ?
Sb3 Pd1 Sb 102.77(5) . . ?
Sb2 Pd1 Sb 102.91(4) . . ?
Sb5 Pd1 Sb 102.77(5) . . ?
Sb4 Pd1 Pd4 56.13(4) . . ?
Sb1 Pd1 Pd4 111.75(5) . . ?
Sb3 Pd1 Pd4 111.91(5) . . ?
Sb2 Pd1 Pd4 161.17(5) . . ?
Sb5 Pd1 Pd4 56.45(4) . . ?
Sb Pd1 Pd4 58.26(3) . . ?
Sb4 Pd1 Pd2 111.39(5) . . ?
Sb1 Pd1 Pd2 56.22(4) . . ?
Sb3 Pd1 Pd2 161.10(5) . . ?
Sb2 Pd1 Pd2 112.11(5) . . ?
Sb5 Pd1 Pd2 56.00(4) . . ?
Sb Pd1 Pd2 58.33(4) . . ?
Pd4 Pd1 Pd2 59.87(4) . . ?
Sb4 Pd1 Pd4 161.07(5) . 5_566 ?
Sb1 Pd1 Pd4 56.20(4) . 5_566 ?
Sb3 Pd1 Pd4 112.02(5) . 5_566 ?
Sb2 Pd1 Pd4 56.61(4) . 5_566 ?
Sb5 Pd1 Pd4 111.48(5) . 5_566 ?
Sb Pd1 Pd4 58.19(3) . 5_566 ?
Pd4 Pd1 Pd4 107.81(5) . 5_566 ?
Pd2 Pd1 Pd4 59.95(4) . 5_566 ?
Sb4 Pd1 Pd3 56.79(4) . 4_664 ?
Sb1 Pd1 Pd3 160.94(5) . 4_664 ?
Sb3 Pd1 Pd3 56.22(4) . 4_664 ?
Sb2 Pd1 Pd3 111.76(5) . 4_664 ?
Sb5 Pd1 Pd3 112.25(5) . 4_664 ?
Sb Pd1 Pd3 58.27(4) . 4_664 ?
Pd4 Pd1 Pd3 60.14(4) . 4_664 ?
Pd2 Pd1 Pd3 108.04(5) . 4_664 ?
Pd4 Pd1 Pd3 107.92(5) 5_566 4_664 ?
Sb4 Pd1 Pd3 112.43(5) . . ?
Sb1 Pd1 Pd3 111.80(5) . . ?
Sb3 Pd1 Pd3 56.37(4) . . ?
Sb2 Pd1 Pd3 56.36(4) . . ?
Sb5 Pd1 Pd3 161.00(5) . . ?
Sb Pd1 Pd3 58.23(4) . . ?
Pd4 Pd1 Pd3 107.99(5) . . ?
Pd2 Pd1 Pd3 108.03(5) . . ?
Pd4 Pd1 Pd3 60.03(4) 5_566 . ?
Pd3 Pd1 Pd3 59.92(5) 4_664 . ?
Sb6 Pd2 Sb5 135.42(5) . . ?
Sb6 Pd2 Sb1 135.67(5) . . ?
Sb5 Pd2 Sb1 70.20(5) . . ?
Sb6 Pd2 Sb7 69.93(4) . 5_566 ?
Sb5 Pd2 Sb7 135.38(6) . 5_566 ?
Sb1 Pd2 Sb7 69.48(5) . 5_566 ?
Sb6 Pd2 Sb7 69.81(4) . . ?
Sb5 Pd2 Sb7 69.73(5) . . ?
Sb1 Pd2 Sb7 136.17(6) . . ?
Sb7 Pd2 Sb7 135.71(6) 5_566 . ?
Sb6 Pd2 Sb 103.09(5) . . ?
Sb5 Pd2 Sb 103.52(5) . . ?
Sb1 Pd2 Sb 102.82(4) . . ?
Sb7 Pd2 Sb 103.27(4) 5_566 . ?
Sb7 Pd2 Sb 103.07(4) . . ?
Sb6 Pd2 Pd2 56.38(3) . 5_566 ?
Sb5 Pd2 Pd2 161.96(4) . 5_566 ?
Sb1 Pd2 Pd2 111.71(6) . 5_566 ?
Sb7 Pd2 Pd2 56.69(5) 5_566 5_566 ?
Sb7 Pd2 Pd2 111.92(5) . 5_566 ?
Sb Pd2 Pd2 58.45(2) . 5_566 ?
Sb6 Pd2 Pd2 56.38(3) . 4_664 ?
Sb5 Pd2 Pd2 112.21(6) . 4_664 ?
Sb1 Pd2 Pd2 161.27(4) . 4_664 ?
Sb7 Pd2 Pd2 112.15(5) 5_566 4_664 ?
Sb7 Pd2 Pd2 56.43(5) . 4_664 ?
Sb Pd2 Pd2 58.45(2) . 4_664 ?
Pd2 Pd2 Pd2 60.0 5_566 4_664 ?
Sb6 Pd2 Pd4 112.09(5) . . ?
Sb5 Pd2 Pd4 56.78(4) . . ?
Sb1 Pd2 Pd4 112.08(5) . . ?
Sb7 Pd2 Pd4 161.57(5) 5_566 . ?
Sb7 Pd2 Pd4 56.59(4) . . ?
Sb Pd2 Pd4 58.30(3) . . ?
Pd2 Pd2 Pd4 108.15(4) 5_566 . ?
Pd2 Pd2 Pd4 60.18(4) 4_664 . ?
Sb6 Pd2 Pd4 111.89(5) . 5_566 ?
Sb5 Pd2 Pd4 112.47(5) . 5_566 ?
Sb1 Pd2 Pd4 56.31(4) . 5_566 ?
Sb7 Pd2 Pd4 56.57(4) 5_566 5_566 ?
Sb7 Pd2 Pd4 161.29(5) . 5_566 ?
Sb Pd2 Pd4 58.22(3) . 5_566 ?
Pd2 Pd2 Pd4 59.96(4) 5_566 5_566 ?
Pd2 Pd2 Pd4 107.98(4) 4_664 5_566 ?
Pd4 Pd2 Pd4 108.00(5) . 5_566 ?
Sb6 Pd2 Pd1 161.39(5) . . ?
Sb5 Pd2 Pd1 56.97(4) . . ?
Sb1 Pd2 Pd1 56.45(4) . . ?
Sb7 Pd2 Pd1 111.97(5) 5_566 . ?
Sb7 Pd2 Pd1 112.11(5) . . ?
Sb Pd2 Pd1 58.30(3) . . ?
Pd2 Pd2 Pd1 108.16(3) 5_566 . ?
Pd2 Pd2 Pd1 108.22(3) 4_664 . ?
Pd4 Pd2 Pd1 60.01(4) . . ?
Pd4 Pd2 Pd1 60.07(4) 5_566 . ?
Sb3 Pd3 Sb3 136.69(6) 5_566 . ?
Sb3 Pd3 Sb2 135.96(5) 5_566 . ?
Sb3 Pd3 Sb2 69.75(4) . . ?
Sb3 Pd3 Sb4 70.05(4) 5_566 5_566 ?
Sb3 Pd3 Sb4 136.26(6) . 5_566 ?
Sb2 Pd3 Sb4 69.86(4) . 5_566 ?
Sb3 Pd3 Sb8 70.23(3) 5_566 . ?
Sb3 Pd3 Sb8 70.10(4) . . ?
Sb2 Pd3 Sb8 135.85(5) . . ?
Sb4 Pd3 Sb8 136.55(5) 5_566 . ?
Sb3 Pd3 Sb 102.72(4) 5_566 . ?
Sb3 Pd3 Sb 102.50(4) . . ?
Sb2 Pd3 Sb 102.74(4) . . ?
Sb4 Pd3 Sb 102.06(4) 5_566 . ?
Sb8 Pd3 Sb 103.13(4) . . ?
Sb3 Pd3 Pd3 56.46(5) 5_566 5_566 ?
Sb3 Pd3 Pd3 111.90(4) . 5_566 ?
Sb2 Pd3 Pd3 160.99(3) . 5_566 ?
Sb4 Pd3 Pd3 111.77(6) 5_566 5_566 ?
Sb8 Pd3 Pd3 56.61(2) . 5_566 ?
Sb Pd3 Pd3 58.25(2) . 5_566 ?
Sb3 Pd3 Pd3 112.14(4) 5_566 4_664 ?
Sb3 Pd3 Pd3 56.19(5) . 4_664 ?
Sb2 Pd3 Pd3 111.77(6) . 4_664 ?
Sb4 Pd3 Pd3 160.31(3) 5_566 4_664 ?
Sb8 Pd3 Pd3 56.61(2) . 4_664 ?
Sb Pd3 Pd3 58.25(2) . 4_664 ?
Pd3 Pd3 Pd3 60.0 5_566 4_664 ?
Sb3 Pd3 Pd4 111.57(5) 5_566 5_566 ?
Sb3 Pd3 Pd4 111.61(5) . 5_566 ?
Sb2 Pd3 Pd4 56.49(4) . 5_566 ?
Sb4 Pd3 Pd4 55.71(4) 5_566 5_566 ?
Sb8 Pd3 Pd4 161.18(5) . 5_566 ?
Sb Pd3 Pd4 58.05(3) . 5_566 ?
Pd3 Pd3 Pd4 107.76(3) 5_566 5_566 ?
Pd3 Pd3 Pd4 107.77(3) 4_664 5_566 ?
Sb3 Pd3 Pd1 56.30(4) 5_566 5_566 ?
Sb3 Pd3 Pd1 160.62(5) . 5_566 ?
Sb2 Pd3 Pd1 111.75(5) . 5_566 ?
Sb4 Pd3 Pd1 55.89(4) 5_566 5_566 ?
Sb8 Pd3 Pd1 112.25(4) . 5_566 ?
Sb Pd3 Pd1 58.12(3) . 5_566 ?
Pd3 Pd3 Pd1 60.10(4) 5_566 5_566 ?
Pd3 Pd3 Pd1 107.94(4) 4_664 5_566 ?
Pd4 Pd3 Pd1 59.68(4) 5_566 5_566 ?
Sb3 Pd3 Pd1 160.80(5) 5_566 . ?
Sb3 Pd3 Pd1 56.18(4) . . ?
Sb2 Pd3 Pd1 56.30(4) . . ?
Sb4 Pd3 Pd1 111.18(5) 5_566 . ?
Sb8 Pd3 Pd1 112.14(4) . . ?
Sb Pd3 Pd1 58.08(3) . . ?
Pd3 Pd3 Pd1 107.85(4) 5_566 . ?
Pd3 Pd3 Pd1 59.98(4) 4_664 . ?
Pd4 Pd3 Pd1 59.77(4) 5_566 . ?
Pd1 Pd3 Pd1 107.55(5) 5_566 . ?
Sb4 Pd4 Sb1 136.29(6) . 4_664 ?
Sb4 Pd4 Sb7 135.49(6) . . ?
Sb1 Pd4 Sb7 69.34(5) 4_664 . ?
Sb4 Pd4 Sb5 70.03(4) . . ?
Sb1 Pd4 Sb5 135.04(5) 4_664 . ?
Sb7 Pd4 Sb5 69.46(4) . . ?
Sb4 Pd4 Sb2 70.36(4) . 4_664 ?
Sb1 Pd4 Sb2 70.07(5) 4_664 4_664 ?
Sb7 Pd4 Sb2 135.51(6) . 4_664 ?
Sb5 Pd4 Sb2 136.40(6) . 4_664 ?
Sb4 Pd4 Sb 103.23(5) . . ?
Sb1 Pd4 Sb 102.94(5) 4_664 . ?
Sb7 Pd4 Sb 103.19(5) . . ?
Sb5 Pd4 Sb 103.19(5) . . ?
Sb2 Pd4 Sb 102.88(5) 4_664 . ?
Sb4 Pd4 Pd2 111.86(5) . . ?
Sb1 Pd4 Pd2 111.60(5) 4_664 . ?
Sb7 Pd4 Pd2 56.57(4) . . ?
Sb5 Pd4 Pd2 56.21(4) . . ?
Sb2 Pd4 Pd2 161.34(5) 4_664 . ?
Sb Pd4 Pd2 58.46(4) . . ?
Sb4 Pd4 Pd1 56.41(4) . . ?
Sb1 Pd4 Pd1 161.33(6) 4_664 . ?
Sb7 Pd4 Pd1 112.20(5) . . ?
Sb5 Pd4 Pd1 56.85(4) . . ?
Sb2 Pd4 Pd1 112.11(5) 4_664 . ?
Sb Pd4 Pd1 58.39(3) . . ?
Pd2 Pd4 Pd1 60.12(4) . . ?
Sb4 Pd4 Pd2 161.61(5) . 4_664 ?
Sb1 Pd4 Pd2 56.28(4) 4_664 4_664 ?
Sb7 Pd4 Pd2 56.31(4) . 4_664 ?
Sb5 Pd4 Pd2 111.40(5) . 4_664 ?
Sb2 Pd4 Pd2 111.97(5) 4_664 4_664 ?
Sb Pd4 Pd2 58.39(4) . 4_664 ?
Pd2 Pd4 Pd2 59.86(5) . 4_664 ?
Pd1 Pd4 Pd2 108.06(5) . 4_664 ?
Sb4 Pd4 Pd1 112.66(5) . 4_664 ?
Sb1 Pd4 Pd1 56.41(4) 4_664 4_664 ?
Sb7 Pd4 Pd1 111.64(5) . 4_664 ?
Sb5 Pd4 Pd1 161.50(6) . 4_664 ?
Sb2 Pd4 Pd1 56.43(4) 4_664 4_664 ?
Sb Pd4 Pd1 58.32(3) . 4_664 ?
Pd2 Pd4 Pd1 108.01(5) . 4_664 ?
Pd1 Pd4 Pd1 108.30(5) . 4_664 ?
Pd2 Pd4 Pd1 59.98(4) 4_664 4_664 ?
Sb4 Pd4 Pd3 56.89(4) . 4_664 ?
Sb1 Pd4 Pd3 112.15(5) 4_664 4_664 ?
Sb7 Pd4 Pd3 161.52(5) . 4_664 ?
Sb5 Pd4 Pd3 112.66(5) . 4_664 ?
Sb2 Pd4 Pd3 56.38(4) 4_664 4_664 ?
Sb Pd4 Pd3 58.33(4) . 4_664 ?
Pd2 Pd4 Pd3 108.28(5) . 4_664 ?
Pd1 Pd4 Pd3 60.19(4) . 4_664 ?
Pd2 Pd4 Pd3 108.18(5) 4_664 4_664 ?
Pd1 Pd4 Pd3 60.20(4) 4_664 4_664 ?
O2 K1 O2 118.7(2) . 9_466 ?
O2 K1 O2 118.7(2) . 8_656 ?
O2 K1 O2 118.7(2) 9_466 8_656 ?
O2 K1 O1 60.2(6) . . ?
O2 K1 O1 58.7(6) 9_466 . ?
O2 K1 O1 158.0(8) 8_656 . ?
O2 K1 O1 158.0(8) . 9_466 ?
O2 K1 O1 60.2(6) 9_466 9_466 ?
O2 K1 O1 58.7(6) 8_656 9_466 ?
O1 K1 O1 113.2(4) . 9_466 ?
O2 K1 O1 58.7(6) . 8_656 ?
O2 K1 O1 158.0(8) 9_466 8_656 ?
O2 K1 O1 60.2(6) 8_656 8_656 ?
O1 K1 O1 113.2(4) . 8_656 ?
O1 K1 O1 113.2(4) 9_466 8_656 ?
O2 K1 C4 156.6(7) . 8_656 ?
O2 K1 C4 80.3(7) 9_466 8_656 ?
O2 K1 C4 39.2(7) 8_656 8_656 ?
O1 K1 C4 135.6(6) . 8_656 ?
O1 K1 C4 22.4(6) 9_466 8_656 ?
O1 K1 C4 98.5(6) 8_656 8_656 ?
O2 K1 C4 80.3(7) . 9_466 ?
O2 K1 C4 39.2(7) 9_466 9_466 ?
O2 K1 C4 156.6(7) 8_656 9_466 ?
O1 K1 C4 22.4(6) . 9_466 ?
O1 K1 C4 98.5(6) 9_466 9_466 ?
O1 K1 C4 135.6(6) 8_656 9_466 ?
C4 K1 C4 119.39(14) 8_656 9_466 ?
O2 K1 C4 39.2(7) . . ?
O2 K1 C4 156.6(7) 9_466 . ?
O2 K1 C4 80.3(7) 8_656 . ?
O1 K1 C4 98.5(6) . . ?
O1 K1 C4 135.6(6) 9_466 . ?
O1 K1 C4 22.4(6) 8_656 . ?
C4 K1 C4 119.39(14) 8_656 . ?
C4 K1 C4 119.39(14) 9_466 . ?
O3 K2 N2 89.9(11) . . ?
O3 K2 O6 178.9(6) . . ?
N2 K2 O6 91.1(11) . . ?
O3 K2 O5 119.9(6) . . ?
N2 K2 O5 84.2(10) . . ?
O6 K2 O5 59.7(6) . . ?
O3 K2 O7 121.7(7) . . ?
N2 K2 O7 90.1(7) . . ?
O6 K2 O7 58.8(7) . . ?
O5 K2 O7 118.0(7) . . ?
O3 K2 O8 61.8(6) . . ?
N2 K2 O8 100.6(10) . . ?
O6 K2 O8 118.5(6) . . ?
O5 K2 O8 175.0(5) . . ?
O7 K2 O8 61.0(6) . . ?
O3 K2 O4 61.0(6) . . ?
N2 K2 O4 94.6(7) . . ?
O6 K2 O4 118.4(6) . . ?
O5 K2 O4 60.0(6) . . ?
O7 K2 O4 174.6(5) . . ?
O8 K2 O4 120.5(5) . . ?
O3 K2 N1 100.2(6) . . ?
N2 K2 N1 169.7(11) . . ?
O6 K2 N1 78.8(6) . . ?
O5 K2 N1 92.5(6) . . ?
O7 K2 N1 82.8(6) . . ?
O8 K2 N1 82.5(6) . . ?
O4 K2 N1 92.2(6) . . ?
O3 K2 C15 45.0(7) . . ?
N2 K2 C15 90.6(12) . . ?
O6 K2 C15 135.5(8) . . ?
O5 K2 C15 164.3(7) . . ?
O7 K2 C15 76.7(8) . . ?
O8 K2 C15 19.0(6) . . ?
O4 K2 C15 105.8(7) . . ?
N1 K2 C15 95.0(8) . . ?
O3 K2 C10 159.9(7) . . ?
N2 K2 C10 86.9(12) . . ?
O6 K2 C10 19.7(6) . . ?
O5 K2 C10 40.1(6) . . ?
O7 K2 C10 78.1(7) . . ?
O8 K2 C10 138.2(6) . . ?
O4 K2 C10 99.5(6) . . ?
N1 K2 C10 84.3(7) . . ?
C15 K2 C10 154.7(8) . . ?
O3 K2 C5 20.8(6) . . ?
N2 K2 C5 95.9(11) . . ?
O6 K2 C5 158.4(7) . . ?
O5 K2 C5 100.7(7) . . ?
O7 K2 C5 141.2(7) . . ?
O8 K2 C5 80.3(6) . . ?
O4 K2 C5 40.8(6) . . ?
N1 K2 C5 94.3(7) . . ?
C15 K2 C5 65.0(8) . . ?
C10 K2 C5 140.3(7) . . ?
O3 K2 C13 102.8(7) . . ?
N2 K2 C13 97.5(8) . . ?
O6 K2 C13 77.6(7) . . ?
O5 K2 C13 137.3(7) . . ?
O7 K2 C13 20.2(6) . . ?
O8 K2 C13 41.2(6) . . ?
O4 K2 C13 159.8(6) . . ?
N1 K2 C13 78.3(7) . . ?
C15 K2 C13 58.1(8) . . ?
C10 K2 C13 97.2(7) . . ?
C5 K2 C13 121.4(8) . . ?
C4 O1 C1 111(2) 9_466 . ?
C4 O1 K1 106.4(16) 9_466 . ?
C1 O1 K1 108.0(17) . . ?
C3 O2 C2 108(2) . . ?
C3 O2 K1 121.8(19) . . ?
C2 O2 K1 119.2(17) . . ?
C5 O3 C16 126(3) . . ?
C5 O3 K2 112.7(18) . . ?
C16 O3 K2 110.7(15) . . ?
C7 O4 C6 114(2) . . ?
C7 O4 K2 113.8(16) . . ?
C6 O4 K2 110.1(15) . . ?
C9 O5 C8 112(2) . . ?
C9 O5 K2 116.2(18) . . ?
C8 O5 K2 115.4(14) . . ?
C11 O6 C10 121(3) . . ?
C11 O6 K2 118(2) . . ?
C10 O6 K2 112.8(19) . . ?
C13 O7 C12 121(2) . . ?
C13 O7 K2 112.6(19) . . ?
C12 O7 K2 116.7(17) . . ?
C15 O8 C14 111(2) . . ?
C15 O8 K2 111(2) . . ?
C14 O8 K2 113.3(15) . . ?
O1 C1 C2 108(2) . . ?
O2 C2 C1 109(3) . . ?
O2 C3 C4 104(3) . . ?
O1 C4 C3 110(3) 8_656 . ?
O1 C4 K1 51.2(13) 8_656 . ?
C3 C4 K1 81.1(17) . . ?
C6 C5 O3 120(3) . . ?
C6 C5 K2 84(2) . . ?
O3 C5 K2 46.5(15) . . ?
C5 C6 O4 111(3) . . ?
O4 C7 C8 111(3) . . ?
O5 C8 C7 112(3) . . ?
O5 C9 C10 107(3) . . ?
O6 C10 C9 123(3) . . ?
O6 C10 K2 47.5(16) . . ?
C9 C10 K2 81.0(18) . . ?
O6 C11 C12 116(3) . . ?
O7 C12 C11 111(3) . . ?
O7 C13 C14 122(3) . . ?
O7 C13 K2 47.3(15) . . ?
C14 C13 K2 84(2) . . ?
C13 C14 O8 107(3) . . ?
O8 C15 C16 118(3) . . ?
O8 C15 K2 50.3(17) . . ?
C16 C15 K2 84.6(18) . . ?
C15 C16 O3 113(2) . . ?
C17 N1 K2 116.3(18) . . ?
C18 N2 K2 133(3) 19_646 . ?
N1 C17 C18 107(2) . . ?
N2 C18 C17 146(3) 18_665 . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        24.74
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.008
_refine_diff_density_min         -0.772
_refine_diff_density_rms         0.136
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.500 0.000 0.000 19.7 -1.7
2 0.134 0.134 0.134 405.1 -7.1
3 0.634 0.134 0.366 405.0 -5.4
4 0.000 0.000 0.500 19.7 -1.7
5 0.366 -0.134 0.634 405.0 -5.4
6 0.866 -0.134 0.866 405.0 -6.0
7 0.134 0.366 0.634 404.9 -5.6
8 0.634 0.366 0.866 405.0 -5.6
9 0.000 0.500 0.000 19.7 -1.7
10 0.500 0.500 0.500 19.7 -2.2
11 0.366 0.634 0.134 405.1 -5.6
12 0.866 0.634 0.366 405.0 -5.6
_platon_squeeze_details          
;
;
_chemical_properties_physical    ', Air-sensitive,Moisture-sensitive'
