# Electronic Supplementary Material (ESI) for ChemComm.
# 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_Na-1
_database_code_depnum_ccdc_archive 'CCDC 2211787'
loop_
_audit_author_name
_audit_author_address
'Saurav Bhattacharya'
;Jacobs University Bremen
Germany
;
_audit_update_record             
;
2022-10-08 deposited with the CCDC.	2022-12-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H36 As6 N2 Na4 O42 Pd7'
_chemical_formula_weight         2166.71

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           54
_space_group_name_H-M_alt        'P c c a'
_space_group_name_Hall           '-P 2a 2ac'

_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.
;

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

_cell_length_a                   26.7756(12)
_cell_length_b                   13.3210(6)
_cell_length_c                   19.6258(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7000.1(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7215
_cell_measurement_theta_min      1.998
_cell_measurement_theta_max      26.442

_exptl_crystal_description       Cubic
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.056
_exptl_crystal_F_000             4088
_exptl_transmission_factor_min   0.246
_exptl_transmission_factor_max   0.268
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_exptl_absorpt_coefficient_mu    4.678
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            111728
_diffrn_reflns_av_unetI/netI     0.0179
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.998
_diffrn_reflns_theta_max         26.442
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7215
_reflns_number_gt                6505
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0306P)²+128.7000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7215
_refine_ls_number_parameters     326
_refine_ls_number_restraints     183
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0408
_refine_ls_wR_factor_ref         0.1054
_refine_ls_wR_factor_gt          0.1028
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.001
_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_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
Pd1 Pd 0.60996(2) 0.44604(3) 0.49508(2) 0.00662(11) Uani 1 1 d . . . . .
Pd2 Pd 0.57899(2) 0.66236(3) 0.50278(2) 0.00622(10) Uani 1 1 d . . . . .
Pd3 Pd 0.500000 0.500000 0.500000 0.00430(13) Uani 1 2 d S . P . .
Pd4 Pd 0.47020(2) 0.71907(3) 0.50316(2) 0.00649(10) Uani 1 1 d . . . . .
As1 As 0.68831(2) 0.61544(5) 0.45305(3) 0.01177(14) Uani 1 1 d D . . . .
As2 As 0.55204(2) 0.87967(5) 0.55118(3) 0.01196(14) Uani 1 1 d D . . . .
As3 As 0.35999(2) 0.77587(5) 0.47117(4) 0.01564(15) Uani 1 1 d D . . . .
Na1 Na 0.60396(11) 0.6329(2) 0.24762(15) 0.0251(6) Uani 1 1 d . . . . .
Na2 Na 0.500000 0.5011(3) 0.250000 0.0155(7) Uani 1 2 d S T P . .
Na3 Na 0.500000 0.2512(3) 0.250000 0.0265(9) Uani 1 2 d S T P . .
N1 N 0.7954(6) 0.6936(11) 0.2293(9) 0.121(4) Uani 1 1 d D U . . .
O1 O 0.56277(15) 0.5407(3) 0.4485(2) 0.0082(8) Uani 1 1 d . U . . .
O2 O 0.51654(15) 0.6263(3) 0.5526(2) 0.0091(8) Uani 1 1 d . U . . .
O3 O 0.45098(15) 0.5938(3) 0.4537(2) 0.0080(8) Uani 1 1 d . U . . .
O4 O 0.67029(16) 0.4953(3) 0.4399(2) 0.0124(9) Uani 1 1 d . U . . .
O5 O 0.64021(16) 0.6971(3) 0.4453(2) 0.0148(9) Uani 1 1 d . U . . .
O6 O 0.59233(16) 0.7830(3) 0.5650(2) 0.0121(9) Uani 1 1 d . U . . .
O7 O 0.49153(16) 0.8430(3) 0.5580(2) 0.0137(9) Uani 1 1 d . U . . .
O8 O 0.41965(15) 0.8041(3) 0.4501(2) 0.0110(9) Uani 1 1 d . U . . .
O9 O 0.65488(17) 0.3460(3) 0.5453(2) 0.0154(9) Uani 1 1 d . U . . .
O10 O 0.6789(2) 0.6086(6) 0.1789(3) 0.0471(17) Uani 1 1 d . U . . .
O11 O 0.6296(3) 0.7740(5) 0.3154(3) 0.0411(16) Uani 1 1 d . U . . .
O12 O 0.5518(2) 0.7479(4) 0.1801(3) 0.0274(12) Uani 1 1 d . U . . .
O13 O 0.6273(2) 0.4800(4) 0.3121(3) 0.0284(12) Uani 1 1 d . U . . .
O14 O 0.53514(19) 0.6248(4) 0.3230(2) 0.0206(10) Uani 1 1 d . U . . .
O15 O 0.57014(19) 0.5101(4) 0.1749(2) 0.0218(10) Uani 1 1 d . U . . .
O16 O 0.46614(19) 0.3760(4) 0.1768(2) 0.0210(10) Uani 1 1 d . U . . .
O17 O 0.5777(2) 0.2975(4) 0.1906(3) 0.0279(12) Uani 1 1 d . U . . .
O18 O 0.4544(2) 0.1189(5) 0.1892(3) 0.0405(15) Uani 1 1 d . U . . .
O19 O 0.8306(5) 0.7460(10) 0.2610(7) 0.121(4) Uani 1 1 d D U . . .
O20 O 0.7534(5) 0.7475(11) 0.2148(7) 0.134(5) Uani 1 1 d D U . . .
O21 O 0.7961(4) 0.5948(8) 0.2207(5) 0.094(3) Uani 1 1 d D U . . .
C1 C 0.7350(3) 0.6456(6) 0.3831(4) 0.0261(16) Uani 1 1 d D U . . .
H1A H 0.746434 0.713493 0.388246 0.039 Uiso 1 1 calc R U . . .
H1B H 0.762834 0.600562 0.386134 0.039 Uiso 1 1 calc R U . . .
H1C H 0.719166 0.638156 0.339443 0.039 Uiso 1 1 calc R U . . .
C2 C 0.7162(3) 0.6254(6) 0.5420(4) 0.0263(17) Uani 1 1 d D U . . .
H2A H 0.726598 0.693247 0.550244 0.039 Uiso 1 1 calc R U . . .
H2B H 0.691529 0.606444 0.575145 0.039 Uiso 1 1 calc R U . . .
H2C H 0.744469 0.581391 0.545570 0.039 Uiso 1 1 calc R U . . .
C3 C 0.5652(3) 0.9299(7) 0.4621(4) 0.0288(18) Uani 1 1 d D U . . .
H3A H 0.599523 0.950312 0.459074 0.043 Uiso 1 1 calc R U . . .
H3B H 0.558741 0.878306 0.429137 0.043 Uiso 1 1 calc R U . . .
H3C H 0.543981 0.986524 0.453215 0.043 Uiso 1 1 calc R U . . .
C4 C 0.5643(3) 0.9744(5) 0.6219(4) 0.0224(15) Uani 1 1 d D U . . .
H4A H 0.598363 0.996761 0.619515 0.034 Uiso 1 1 calc R U . . .
H4B H 0.542366 1.030850 0.616566 0.034 Uiso 1 1 calc R U . . .
H4C H 0.558420 0.943411 0.665336 0.034 Uiso 1 1 calc R U . . .
C5 C 0.3512(3) 0.8027(6) 0.5655(4) 0.036(2) Uani 1 1 d D U . . .
H5A H 0.317483 0.787047 0.578427 0.055 Uiso 1 1 calc R U . . .
H5B H 0.373900 0.762157 0.591497 0.055 Uiso 1 1 calc R U . . .
H5C H 0.357699 0.872356 0.574253 0.055 Uiso 1 1 calc R U . . .
C6 C 0.3182(3) 0.8565(6) 0.4148(5) 0.039(2) Uani 1 1 d D U . . .
H6A H 0.283855 0.842749 0.425139 0.058 Uiso 1 1 calc R U . . .
H6B H 0.325155 0.926111 0.423097 0.058 Uiso 1 1 calc R U . . .
H6C H 0.324632 0.841150 0.367829 0.058 Uiso 1 1 calc R U . . .


_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
Pd1 O3 1.989(4) 5_666 ?
Pd1 O1 2.005(4) . ?
Pd1 O9 2.048(4) . ?
Pd1 O4 2.053(4) . ?
Pd1 Pd2 3.0024(6) . ?
Pd1 Pd3 3.0323(4) . ?
Pd1 Pd4 3.0733(6) 5_666 ?
Pd2 O1 1.987(4) . ?
Pd2 O2 1.995(4) . ?
Pd2 O5 2.042(4) . ?
Pd2 O6 2.049(4) . ?
Pd2 Pd4 3.0094(6) . ?
Pd2 Pd3 3.0256(4) . ?
Pd3 O2 2.023(4) . ?
Pd3 O2 2.023(4) 5_666 ?
Pd3 O3 2.027(4) 5_666 ?
Pd3 O3 2.027(4) . ?
Pd3 O1 2.034(4) . ?
Pd3 O1 2.034(4) 5_666 ?
Pd3 Pd4 3.0260(4) 5_666 ?
Pd3 Pd4 3.0260(4) . ?
Pd4 O3 1.998(4) . ?
Pd4 O2 2.002(4) . ?
Pd4 O8 2.050(4) . ?
Pd4 O7 2.052(4) . ?
As1 O4 1.692(4) . ?
As1 O5 1.693(4) . ?
As1 C1 1.900(7) . ?
As1 C2 1.904(6) . ?
As2 O7 1.697(4) . ?
As2 O6 1.702(4) . ?
As2 C3 1.905(7) . ?
As2 C4 1.905(7) . ?
As3 O8 1.692(4) . ?
As3 O9 1.703(4) 5_666 ?
As3 C5 1.900(8) . ?
As3 C6 1.904(7) . ?
Na1 O15 2.353(6) . ?
Na1 O14 2.365(6) . ?
Na1 O11 2.403(6) . ?
Na1 O10 2.439(7) . ?
Na1 O12 2.461(6) . ?
Na1 O13 2.478(6) . ?
Na1 Na2 3.291(3) . ?
Na2 O14 2.376(6) . ?
Na2 O14 2.376(5) 3_655 ?
Na2 O16 2.380(6) 3_655 ?
Na2 O16 2.380(6) . ?
Na2 O15 2.390(5) 3_655 ?
Na2 O15 2.390(5) . ?
Na2 Na3 3.330(6) . ?
Na3 O16 2.378(6) . ?
Na3 O16 2.378(6) 3_655 ?
Na3 O18 2.453(7) 3_655 ?
Na3 O18 2.453(7) . ?
Na3 O17 2.464(6) . ?
Na3 O17 2.464(6) 3_655 ?
N1 O19 1.327(14) . ?
N1 O21 1.327(13) . ?
N1 O20 1.366(14) . ?

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
O3 Pd1 O1 83.16(16) 5_666 . ?
O3 Pd1 O9 93.72(18) 5_666 . ?
O1 Pd1 O9 176.86(17) . . ?
O3 Pd1 O4 176.19(17) 5_666 . ?
O1 Pd1 O4 93.13(17) . . ?
O9 Pd1 O4 90.00(18) . . ?
O3 Pd1 Pd2 90.24(12) 5_666 . ?
O1 Pd1 Pd2 41.01(12) . . ?
O9 Pd1 Pd2 139.67(13) . . ?
O4 Pd1 Pd2 86.39(13) . . ?
O3 Pd1 Pd3 41.45(11) 5_666 . ?
O1 Pd1 Pd3 41.71(11) . . ?
O9 Pd1 Pd3 135.17(13) . . ?
O4 Pd1 Pd3 134.83(12) . . ?
Pd2 Pd1 Pd3 60.179(11) . . ?
O3 Pd1 Pd4 39.67(12) 5_666 5_666 ?
O1 Pd1 Pd4 90.85(12) . 5_666 ?
O9 Pd1 Pd4 86.52(13) . 5_666 ?
O4 Pd1 Pd4 141.65(13) . 5_666 ?
Pd2 Pd1 Pd4 119.566(18) . 5_666 ?
Pd3 Pd1 Pd4 59.416(12) . 5_666 ?
O1 Pd2 O2 83.26(17) . . ?
O1 Pd2 O5 93.71(17) . . ?
O2 Pd2 O5 175.81(18) . . ?
O1 Pd2 O6 175.34(17) . . ?
O2 Pd2 O6 92.46(17) . . ?
O5 Pd2 O6 90.65(18) . . ?
O1 Pd2 Pd1 41.45(12) . . ?
O2 Pd2 Pd1 91.44(12) . . ?
O5 Pd2 Pd1 88.17(13) . . ?
O6 Pd2 Pd1 137.25(12) . . ?
O1 Pd2 Pd4 89.68(12) . . ?
O2 Pd2 Pd4 41.23(12) . . ?
O5 Pd2 Pd4 136.16(12) . . ?
O6 Pd2 Pd4 88.30(12) . . ?
Pd1 Pd2 Pd4 120.556(18) . . ?
O1 Pd2 Pd3 41.79(12) . . ?
O2 Pd2 Pd3 41.49(12) . . ?
O5 Pd2 Pd3 135.48(13) . . ?
O6 Pd2 Pd3 133.87(12) . . ?
Pd1 Pd2 Pd3 60.400(12) . . ?
Pd4 Pd2 Pd3 60.186(12) . . ?
O2 Pd3 O2 180.0 . 5_666 ?
O2 Pd3 O3 98.19(16) . 5_666 ?
O2 Pd3 O3 81.81(16) 5_666 5_666 ?
O2 Pd3 O3 81.81(16) . . ?
O2 Pd3 O3 98.19(16) 5_666 . ?
O3 Pd3 O3 180.0 5_666 . ?
O2 Pd3 O1 81.42(16) . . ?
O2 Pd3 O1 98.58(16) 5_666 . ?
O3 Pd3 O1 81.47(16) 5_666 . ?
O3 Pd3 O1 98.53(16) . . ?
O2 Pd3 O1 98.58(16) . 5_666 ?
O2 Pd3 O1 81.42(16) 5_666 5_666 ?
O3 Pd3 O1 98.53(16) 5_666 5_666 ?
O3 Pd3 O1 81.47(16) . 5_666 ?
O1 Pd3 O1 180.00(13) . 5_666 ?
O2 Pd3 Pd2 40.81(12) . . ?
O2 Pd3 Pd2 139.19(12) 5_666 . ?
O3 Pd3 Pd2 88.85(11) 5_666 . ?
O3 Pd3 Pd2 91.15(11) . . ?
O1 Pd3 Pd2 40.63(12) . . ?
O1 Pd3 Pd2 139.37(12) 5_666 . ?
O2 Pd3 Pd2 139.19(12) . 5_666 ?
O2 Pd3 Pd2 40.81(12) 5_666 5_666 ?
O3 Pd3 Pd2 91.15(11) 5_666 5_666 ?
O3 Pd3 Pd2 88.85(11) . 5_666 ?
O1 Pd3 Pd2 139.37(12) . 5_666 ?
O1 Pd3 Pd2 40.63(12) 5_666 5_666 ?
Pd2 Pd3 Pd2 180.0 . 5_666 ?
O2 Pd3 Pd4 139.02(12) . 5_666 ?
O2 Pd3 Pd4 40.98(12) 5_666 5_666 ?
O3 Pd3 Pd4 40.89(11) 5_666 5_666 ?
O3 Pd3 Pd4 139.11(11) . 5_666 ?
O1 Pd3 Pd4 91.65(12) . 5_666 ?
O1 Pd3 Pd4 88.35(12) 5_666 5_666 ?
Pd2 Pd3 Pd4 120.359(12) . 5_666 ?
Pd2 Pd3 Pd4 59.642(12) 5_666 5_666 ?
O2 Pd3 Pd4 40.98(12) . . ?
O2 Pd3 Pd4 139.02(12) 5_666 . ?
O3 Pd3 Pd4 139.11(11) 5_666 . ?
O3 Pd3 Pd4 40.89(11) . . ?
O1 Pd3 Pd4 88.35(12) . . ?
O1 Pd3 Pd4 91.65(12) 5_666 . ?
Pd2 Pd3 Pd4 59.642(12) . . ?
Pd2 Pd3 Pd4 120.357(12) 5_666 . ?
Pd4 Pd3 Pd4 180.0 5_666 . ?
O2 Pd3 Pd1 90.05(12) . . ?
O2 Pd3 Pd1 89.95(12) 5_666 . ?
O3 Pd3 Pd1 40.49(12) 5_666 . ?
O3 Pd3 Pd1 139.51(12) . . ?
O1 Pd3 Pd1 40.98(11) . . ?
O1 Pd3 Pd1 139.02(11) 5_666 . ?
Pd2 Pd3 Pd1 59.421(12) . . ?
Pd2 Pd3 Pd1 120.580(12) 5_666 . ?
Pd4 Pd3 Pd1 60.968(12) 5_666 . ?
Pd4 Pd3 Pd1 119.034(12) . . ?
O2 Pd3 Pd1 89.95(12) . 5_666 ?
O2 Pd3 Pd1 90.05(12) 5_666 5_666 ?
O3 Pd3 Pd1 139.51(12) 5_666 5_666 ?
O3 Pd3 Pd1 40.49(12) . 5_666 ?
O1 Pd3 Pd1 139.02(11) . 5_666 ?
O1 Pd3 Pd1 40.98(11) 5_666 5_666 ?
Pd2 Pd3 Pd1 120.579(12) . 5_666 ?
Pd2 Pd3 Pd1 59.419(12) 5_666 5_666 ?
Pd4 Pd3 Pd1 119.032(12) 5_666 5_666 ?
Pd4 Pd3 Pd1 60.966(12) . 5_666 ?
Pd1 Pd3 Pd1 180.0 . 5_666 ?
O3 Pd4 O2 83.08(17) . . ?
O3 Pd4 O8 92.57(17) . . ?
O2 Pd4 O8 175.44(17) . . ?
O3 Pd4 O7 176.94(17) . . ?
O2 Pd4 O7 94.02(17) . . ?
O8 Pd4 O7 90.31(17) . . ?
O3 Pd4 Pd2 92.20(12) . . ?
O2 Pd4 Pd2 41.08(12) . . ?
O8 Pd4 Pd2 140.96(12) . . ?
O7 Pd4 Pd2 86.20(12) . . ?
O3 Pd4 Pd3 41.63(12) . . ?
O2 Pd4 Pd3 41.51(12) . . ?
O8 Pd4 Pd3 134.18(12) . . ?
O7 Pd4 Pd3 135.51(12) . . ?
Pd2 Pd4 Pd3 60.172(11) . . ?
O3 Pd4 Pd1 39.45(12) . 5_666 ?
O2 Pd4 Pd1 89.18(12) . 5_666 ?
O8 Pd4 Pd1 86.57(12) . 5_666 ?
O7 Pd4 Pd1 139.85(13) . 5_666 ?
Pd2 Pd4 Pd1 119.761(18) . 5_666 ?
Pd3 Pd4 Pd1 59.618(12) . 5_666 ?
O4 As1 O5 112.2(2) . . ?
O4 As1 C1 106.1(3) . . ?
O5 As1 C1 107.4(3) . . ?
O4 As1 C2 108.5(3) . . ?
O5 As1 C2 109.6(3) . . ?
C1 As1 C2 113.0(4) . . ?
O7 As2 O6 112.0(2) . . ?
O7 As2 C3 110.5(3) . . ?
O6 As2 C3 107.2(3) . . ?
O7 As2 C4 107.3(3) . . ?
O6 As2 C4 106.0(3) . . ?
C3 As2 C4 113.8(4) . . ?
O8 As3 O9 112.7(2) . 5_666 ?
O8 As3 C5 108.3(3) . . ?
O9 As3 C5 109.6(3) 5_666 . ?
O8 As3 C6 106.7(3) . . ?
O9 As3 C6 106.9(3) 5_666 . ?
C5 As3 C6 112.8(4) . . ?
O15 Na1 O14 92.7(2) . . ?
O15 Na1 O11 171.8(3) . . ?
O14 Na1 O11 85.0(2) . . ?
O15 Na1 O10 83.6(2) . . ?
O14 Na1 O10 168.7(3) . . ?
O11 Na1 O10 100.1(3) . . ?
O15 Na1 O12 83.6(2) . . ?
O14 Na1 O12 85.6(2) . . ?
O11 Na1 O12 88.4(2) . . ?
O10 Na1 O12 104.6(2) . . ?
O15 Na1 O13 80.5(2) . . ?
O14 Na1 O13 80.8(2) . . ?
O11 Na1 O13 106.7(2) . . ?
O10 Na1 O13 88.1(2) . . ?
O12 Na1 O13 158.5(2) . . ?
O15 Na1 Na2 46.54(13) . . ?
O14 Na1 Na2 46.19(13) . . ?
O11 Na1 Na2 130.6(2) . . ?
O10 Na1 Na2 129.3(2) . . ?
O12 Na1 Na2 81.94(15) . . ?
O13 Na1 Na2 76.57(15) . . ?
O14 Na2 O14 92.3(3) . 3_655 ?
O14 Na2 O16 88.32(16) . 3_655 ?
O14 Na2 O16 179.0(2) 3_655 3_655 ?
O14 Na2 O16 179.0(2) . . ?
O14 Na2 O16 88.32(16) 3_655 . ?
O16 Na2 O16 91.1(3) 3_655 . ?
O14 Na2 O15 84.56(18) . 3_655 ?
O14 Na2 O15 91.49(18) 3_655 3_655 ?
O16 Na2 O15 87.81(18) 3_655 3_655 ?
O16 Na2 O15 96.19(18) . 3_655 ?
O14 Na2 O15 91.49(18) . . ?
O14 Na2 O15 84.56(18) 3_655 . ?
O16 Na2 O15 96.19(18) 3_655 . ?
O16 Na2 O15 87.81(18) . . ?
O15 Na2 O15 174.3(3) 3_655 . ?
O14 Na2 Na1 45.90(13) . . ?
O14 Na2 Na1 87.53(16) 3_655 . ?
O16 Na2 Na1 93.42(13) 3_655 . ?
O16 Na2 Na1 133.40(13) . . ?
O15 Na2 Na1 130.30(17) 3_655 . ?
O15 Na2 Na1 45.59(13) . . ?
O14 Na2 Na1 87.53(16) . 3_655 ?
O14 Na2 Na1 45.90(13) 3_655 3_655 ?
O16 Na2 Na1 133.40(13) 3_655 3_655 ?
O16 Na2 Na1 93.42(13) . 3_655 ?
O15 Na2 Na1 45.59(13) 3_655 3_655 ?
O15 Na2 Na1 130.31(17) . 3_655 ?
Na1 Na2 Na1 115.55(15) . 3_655 ?
O14 Na2 Na3 133.87(13) . . ?
O14 Na2 Na3 133.87(13) 3_655 . ?
O16 Na2 Na3 45.55(14) 3_655 . ?
O16 Na2 Na3 45.55(13) . . ?
O15 Na2 Na3 92.85(15) 3_655 . ?
O15 Na2 Na3 92.85(15) . . ?
Na1 Na2 Na3 122.22(8) . . ?
Na1 Na2 Na3 122.22(8) 3_655 . ?
O16 Na3 O16 91.2(3) . 3_655 ?
O16 Na3 O18 170.45(19) . 3_655 ?
O16 Na3 O18 91.1(2) 3_655 3_655 ?
O16 Na3 O18 91.1(2) . . ?
O16 Na3 O18 170.45(19) 3_655 . ?
O18 Na3 O18 88.2(4) 3_655 . ?
O16 Na3 O17 82.00(19) . . ?
O16 Na3 O17 77.78(19) 3_655 . ?
O18 Na3 O17 89.4(2) 3_655 . ?
O18 Na3 O17 111.7(2) . . ?
O16 Na3 O17 77.78(19) . 3_655 ?
O16 Na3 O17 82.00(19) 3_655 3_655 ?
O18 Na3 O17 111.7(2) 3_655 3_655 ?
O18 Na3 O17 89.4(2) . 3_655 ?
O17 Na3 O17 151.0(3) . 3_655 ?
O16 Na3 Na2 45.60(14) . . ?
O16 Na3 Na2 45.60(14) 3_655 . ?
O18 Na3 Na2 135.91(18) 3_655 . ?
O18 Na3 Na2 135.90(18) . . ?
O17 Na3 Na2 75.48(16) . . ?
O17 Na3 Na2 75.48(16) 3_655 . ?
O19 N1 O21 124.8(15) . . ?
O19 N1 O20 113.9(13) . . ?
O21 N1 O20 120.5(14) . . ?
Pd2 O1 Pd1 97.53(17) . . ?
Pd2 O1 Pd3 97.58(17) . . ?
Pd1 O1 Pd3 97.31(17) . . ?
Pd2 O2 Pd4 97.69(18) . . ?
Pd2 O2 Pd3 97.70(18) . . ?
Pd4 O2 Pd3 97.52(17) . . ?
Pd1 O3 Pd4 100.88(18) 5_666 . ?
Pd1 O3 Pd3 98.05(17) 5_666 . ?
Pd4 O3 Pd3 97.49(17) . . ?
As1 O4 Pd1 116.5(2) . . ?
As1 O5 Pd2 114.6(2) . . ?
As2 O6 Pd2 112.8(2) . . ?
As2 O7 Pd4 117.1(2) . . ?
As3 O8 Pd4 112.1(2) . . ?
As3 O9 Pd1 113.0(2) 5_666 . ?
Na1 O14 Na2 87.91(18) . . ?
Na1 O15 Na2 87.87(19) . . ?
Na3 O16 Na2 88.85(19) . . ?

_refine_diff_density_max         2.235
_refine_diff_density_min         -1.518
_refine_diff_density_rms         0.226




