# Electronic Supplementary Material (ESI) for Chemical Science.
# 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_lzg
_database_code_depnum_ccdc_archive 'CCDC 1555480'
_audit_update_record             
;
2017-06-10 deposited with the CCDC.
2017-09-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H112 As8 Ga Na5 O68 Pd12'
_chemical_formula_weight         3838.20

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'
As As 0.0499 2.0058 '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'
Ga Ga 0.2307 1.6083 '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'

_space_group_crystal_system      tetragonal
_space_group_IT_number           87
_space_group_name_H-M_alt        'I 4/m'
_space_group_name_Hall           '-I 4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   15.8084(9)
_cell_length_b                   15.8084(9)
_cell_length_c                   24.853(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6210.9(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9587
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      28.20

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.052
_exptl_crystal_F_000             3692
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    4.125
_shelx_estimated_absorpt_T_min   0.425
_shelx_estimated_absorpt_T_max   0.464
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.371
_exptl_absorpt_correction_T_max  0.404
_exptl_absorpt_process_details   ?
_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 X8'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            115016
_diffrn_reflns_av_unetI/netI     0.0137
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.527
_diffrn_reflns_theta_max         28.278
_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             3949
_reflns_number_gt                3502
_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.
 
 _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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.1185P)²+178.3554P] 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         3949
_refine_ls_number_parameters     87
_refine_ls_number_restraints     34
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0547
_refine_ls_wR_factor_ref         0.1953
_refine_ls_wR_factor_gt          0.1710
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.039
_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_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
Ga1 Ga 0.5000 0.5000 0.0000 0.0106(4) Uani 1 8 d S T P . .
Pd1 Pd 0.30424(4) 0.42662(4) 0.0000 0.01399(19) Uani 1 2 d S T P . .
Pd2 Pd 0.43890(3) 0.36562(3) 0.09412(2) 0.01602(18) Uani 1 1 d . . . . .
As1 As 0.24705(4) 0.40598(5) 0.12122(3) 0.0197(2) Uani 1 1 d . . . . .
C1 C 0.1564(5) 0.3688(5) 0.1653(3) 0.0292(14) Uiso 1 1 d . U . . .
C2 C 0.0758(7) 0.4004(7) 0.1573(4) 0.0450(19) Uiso 1 1 d . U . . .
H2 H 0.0646 0.4389 0.1288 0.054 Uiso 1 1 calc R U . . .
C3 C 0.0115(8) 0.3745(8) 0.1917(5) 0.059(2) Uiso 1 1 d . U . . .
H3 H -0.0442 0.3955 0.1866 0.071 Uiso 1 1 calc R U . . .
C4 C 0.0272(7) 0.3197(7) 0.2326(5) 0.050(2) Uiso 1 1 d . U . . .
H4 H -0.0184 0.3014 0.2546 0.061 Uiso 1 1 calc R U . . .
C5 C 0.1070(7) 0.2901(7) 0.2427(4) 0.047(2) Uiso 1 1 d . U . . .
H5 H 0.1175 0.2534 0.2722 0.056 Uiso 1 1 calc R U . . .
C6 C 0.1726(6) 0.3151(6) 0.2085(4) 0.0389(17) Uiso 1 1 d . U . . .
H6 H 0.2285 0.2954 0.2148 0.047 Uiso 1 1 calc R U . . .
O1A O 0.3310(4) 0.3451(4) 0.1376(2) 0.0316(11) Uiso 1 1 d . U . . .
O2A O 0.2676(4) 0.5084(4) 0.1355(2) 0.0338(12) Uiso 1 1 d . U . . .
O3A O 0.2174(3) 0.3933(3) 0.0567(2) 0.0270(10) Uiso 1 1 d . U . . .
O1GA O 0.3931(3) 0.4601(3) -0.05136(17) 0.0146(8) Uiso 1 1 d . . . . .
O1W O 0.3983(5) 0.4262(5) 0.2340(3) 0.0510(17) Uiso 1 1 d . U . . .
O3W O 0.1714(9) 0.1005(9) 0.1617(6) 0.046(3) Uiso 0.5 1 d . U P . .
O2W O 0.3063(12) 0.1752(11) 0.1065(8) 0.062(4) Uiso 0.5 1 d . U P . .
O4W O 0.0491(17) 0.1769(17) 0.1036(11) 0.040(4) Uiso 0.25 1 d . U P . .
O5W O 0.449(2) 0.104(2) 0.0552(14) 0.057(6) Uiso 0.25 1 d . U P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 O1GA 2.210(4) 9_665 ?
Ga1 O1GA 2.210(4) 10_565 ?
Ga1 O1GA 2.210(4) 2_655 ?
Ga1 O1GA 2.210(4) 11 ?
Ga1 O1GA 2.210(4) 3_665 ?
Ga1 O1GA 2.210(4) 12_655 ?
Ga1 O1GA 2.210(4) 4_565 ?
Ga1 O1GA 2.210(4) . ?
Pd1 O1GA 1.970(4) 11 ?
Pd1 O1GA 1.970(4) . ?
Pd1 O3A 2.036(6) . ?
Pd1 O3A 2.036(6) 11 ?
Pd2 O1GA 1.966(4) 12_655 ?
Pd2 O1GA 1.971(4) 11 ?
Pd2 O2A 2.038(6) 2_655 ?
Pd2 O1A 2.046(6) . ?
As1 O3A 1.684(6) . ?
As1 O2A 1.688(6) . ?
As1 O1A 1.689(6) . ?
As1 C1 1.898(8) . ?
C1 C2 1.383(13) . ?
C1 C6 1.392(12) . ?
C2 C3 1.390(16) . ?
C2 H2 0.9500 . ?
C3 C4 1.358(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.370(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.398(14) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
O2A Pd2 2.038(6) 4_565 ?
O1GA Pd2 1.966(4) 10_565 ?
O1GA Pd2 1.971(4) 11 ?

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
O1GA Ga1 O1GA 70.52(11) 9_665 10_565 ?
O1GA Ga1 O1GA 109.48(11) 9_665 2_655 ?
O1GA Ga1 O1GA 180.00(18) 10_565 2_655 ?
O1GA Ga1 O1GA 109.4(2) 9_665 11 ?
O1GA Ga1 O1GA 70.52(11) 10_565 11 ?
O1GA Ga1 O1GA 109.48(11) 2_655 11 ?
O1GA Ga1 O1GA 70.6(2) 9_665 3_665 ?
O1GA Ga1 O1GA 109.48(11) 10_565 3_665 ?
O1GA Ga1 O1GA 70.52(11) 2_655 3_665 ?
O1GA Ga1 O1GA 180.0(3) 11 3_665 ?
O1GA Ga1 O1GA 70.52(11) 9_665 12_655 ?
O1GA Ga1 O1GA 109.4(2) 10_565 12_655 ?
O1GA Ga1 O1GA 70.6(2) 2_655 12_655 ?
O1GA Ga1 O1GA 70.52(11) 11 12_655 ?
O1GA Ga1 O1GA 109.48(11) 3_665 12_655 ?
O1GA Ga1 O1GA 109.48(11) 9_665 4_565 ?
O1GA Ga1 O1GA 70.6(2) 10_565 4_565 ?
O1GA Ga1 O1GA 109.4(2) 2_655 4_565 ?
O1GA Ga1 O1GA 109.48(11) 11 4_565 ?
O1GA Ga1 O1GA 70.52(11) 3_665 4_565 ?
O1GA Ga1 O1GA 180.00(18) 12_655 4_565 ?
O1GA Ga1 O1GA 180.0 9_665 . ?
O1GA Ga1 O1GA 109.48(11) 10_565 . ?
O1GA Ga1 O1GA 70.52(11) 2_655 . ?
O1GA Ga1 O1GA 70.6(2) 11 . ?
O1GA Ga1 O1GA 109.4(2) 3_665 . ?
O1GA Ga1 O1GA 109.49(11) 12_655 . ?
O1GA Ga1 O1GA 70.51(11) 4_565 . ?
O1GA Pd1 O1GA 80.8(3) 11 . ?
O1GA Pd1 O3A 95.9(2) 11 . ?
O1GA Pd1 O3A 176.6(2) . . ?
O1GA Pd1 O3A 176.6(2) 11 11 ?
O1GA Pd1 O3A 95.9(2) . 11 ?
O3A Pd1 O3A 87.5(3) . 11 ?
O1GA Pd2 O1GA 80.8(2) 12_655 11 ?
O1GA Pd2 O2A 96.2(2) 12_655 2_655 ?
O1GA Pd2 O2A 176.9(2) 11 2_655 ?
O1GA Pd2 O1A 176.1(2) 12_655 . ?
O1GA Pd2 O1A 95.7(2) 11 . ?
O2A Pd2 O1A 87.4(2) 2_655 . ?
O3A As1 O2A 111.6(3) . . ?
O3A As1 O1A 112.4(3) . . ?
O2A As1 O1A 110.1(3) . . ?
O3A As1 C1 107.7(3) . . ?
O2A As1 C1 108.7(3) . . ?
O1A As1 C1 106.1(3) . . ?
C2 C1 C6 120.1(8) . . ?
C2 C1 As1 120.0(7) . . ?
C6 C1 As1 119.7(6) . . ?
C1 C2 C3 118.6(10) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C4 C3 C2 121.0(12) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 121.5(12) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 H4 119.2 . . ?
C4 C5 C6 118.4(10) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
C1 C6 C5 120.3(9) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
As1 O1A Pd2 115.9(3) . . ?
As1 O2A Pd2 115.6(3) . 4_565 ?
As1 O3A Pd1 116.1(3) . . ?
Pd2 O1GA Pd1 114.3(2) 10_565 . ?
Pd2 O1GA Pd2 113.9(2) 10_565 11 ?
Pd1 O1GA Pd2 114.1(2) . 11 ?
Pd2 O1GA Ga1 104.44(19) 10_565 . ?
Pd1 O1GA Ga1 104.34(19) . . ?
Pd2 O1GA Ga1 104.27(19) 11 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3A As1 C1 C2 -52.4(8) . . . . ?
O2A As1 C1 C2 68.6(8) . . . . ?
O1A As1 C1 C2 -172.9(7) . . . . ?
O3A As1 C1 C6 132.9(7) . . . . ?
O2A As1 C1 C6 -106.1(7) . . . . ?
O1A As1 C1 C6 12.3(8) . . . . ?
C6 C1 C2 C3 -2.6(15) . . . . ?
As1 C1 C2 C3 -177.4(8) . . . . ?
C1 C2 C3 C4 0.2(17) . . . . ?
C2 C3 C4 C5 2.4(19) . . . . ?
C3 C4 C5 C6 -2.4(17) . . . . ?
C2 C1 C6 C5 2.6(14) . . . . ?
As1 C1 C6 C5 177.3(7) . . . . ?
C4 C5 C6 C1 0.0(15) . . . . ?
O3A As1 O1A Pd2 59.7(4) . . . . ?
O2A As1 O1A Pd2 -65.4(4) . . . . ?
C1 As1 O1A Pd2 177.1(3) . . . . ?
O3A As1 O2A Pd2 -63.1(4) . . . 4_565 ?
O1A As1 O2A Pd2 62.4(4) . . . 4_565 ?
C1 As1 O2A Pd2 178.3(3) . . . 4_565 ?
O2A As1 O3A Pd1 61.8(4) . . . . ?
O1A As1 O3A Pd1 -62.5(4) . . . . ?
C1 As1 O3A Pd1 -179.0(3) . . . . ?

_refine_diff_density_max         2.982
_refine_diff_density_min         -2.630
_refine_diff_density_rms         0.648

_shelxl_version_number           2014/6

####################################################################### 
# 
# 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_LZG
_database_code_depnum_ccdc_archive 'CCDC 1555482'
_audit_update_record             
;
2017-06-10 deposited with the CCDC.
2017-09-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H102 As8 La Na5 O63 Pd12'
_chemical_formula_weight         3817.31

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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 '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'
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'

_space_group_crystal_system      tetragonal
_space_group_IT_number           87
_space_group_name_H-M_alt        'I 4/m'
_space_group_name_Hall           '-I 4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   15.8839(6)
_cell_length_b                   15.8839(6)
_cell_length_c                   25.1431(19)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6343.6(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9636
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      28.30

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            RED
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.998
_exptl_crystal_F_000             3644
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.230
_exptl_absorpt_coefficient_mu    4.153
_shelx_estimated_absorpt_T_min   0.423
_shelx_estimated_absorpt_T_max   0.448
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.368
_exptl_absorpt_correction_T_max  0.385
_exptl_absorpt_process_details   ?
_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 X8'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            57287
_diffrn_reflns_av_unetI/netI     0.0174
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.516
_diffrn_reflns_theta_max         28.315
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4052
_reflns_number_gt                3766
_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.
 
 _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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.1374P)²+175.2892P] 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         4052
_refine_ls_number_parameters     83
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0560
_refine_ls_wR_factor_ref         0.2179
_refine_ls_wR_factor_gt          0.2025
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.086
_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_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
La1 La 0.0000 0.0000 0.0000 0.0105(2) Uani 1 8 d S T P . .
Pd1 Pd 0.13770(3) 0.06402(3) 0.09612(2) 0.0128(2) Uani 1 1 d . . . . .
Pd2 Pd 0.07356(4) 0.20291(4) 0.0000 0.0121(2) Uani 1 2 d S T P . .
As1 As 0.09119(4) 0.25394(4) 0.12125(3) 0.0155(2) Uani 1 1 d . . . . .
C1 C 0.1275(5) 0.3442(5) 0.1650(3) 0.0204(13) Uiso 1 1 d . . . . .
C2 C 0.0962(6) 0.4232(6) 0.1581(4) 0.0335(18) Uiso 1 1 d . . . . .
H2 H 0.0578 0.4348 0.1300 0.040 Uiso 1 1 calc R U . . .
C3 C 0.1217(7) 0.4877(8) 0.1932(5) 0.047(2) Uiso 1 1 d . . . . .
H3 H 0.0982 0.5425 0.1896 0.057 Uiso 1 1 calc R U . . .
C4 C 0.1785(7) 0.4728(7) 0.2315(4) 0.040(2) Uiso 1 1 d . . . . .
H4 H 0.1977 0.5181 0.2530 0.049 Uiso 1 1 calc R U . . .
C5 C 0.2096(6) 0.3925(6) 0.2404(4) 0.037(2) Uiso 1 1 d . . . . .
H5 H 0.2480 0.3821 0.2686 0.045 Uiso 1 1 calc R U . . .
C6 C 0.1835(5) 0.3271(5) 0.2070(3) 0.0281(16) Uiso 1 1 d . . . . .
H6 H 0.2035 0.2715 0.2127 0.034 Uiso 1 1 calc R U . . .
O1LA O 0.1189(3) -0.0432(3) 0.05632(19) 0.0127(8) Uiso 1 1 d . . . . .
O1A O 0.1037(3) 0.2869(3) 0.0573(2) 0.0203(10) Uiso 1 1 d . . . . .
O2A O 0.1545(3) 0.1718(3) 0.1380(2) 0.0220(10) Uiso 1 1 d . . . . .
O3A O 0.2335(3) 0.0111(3) 0.1364(2) 0.0227(11) Uiso 1 1 d . . . . .
O1W O 0.1004(7) 0.1727(7) 0.3336(4) 0.024(2) Uiso 0.5 1 d . . P . .
O2W O 0.0742(4) 0.1015(4) 0.2316(3) 0.0377(14) Uiso 1 1 d . . . . .
O3W O 0.1721(11) 0.0476(11) 0.3919(7) 0.010(3) Uiso 0.25 1 d . . P . .
O4W O 0.1733(13) 0.3026(13) 0.3881(8) 0.019(4) Uiso 0.25 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1 O1LA 2.459(5) . ?
La1 O1LA 2.459(5) 10 ?
La1 O1LA 2.459(5) 2 ?
La1 O1LA 2.459(5) 9 ?
La1 O1LA 2.459(5) 12 ?
La1 O1LA 2.459(5) 4 ?
La1 O1LA 2.459(5) 11 ?
La1 O1LA 2.459(5) 3 ?
La1 Pd1 3.4145(5) 9 ?
La1 Pd1 3.4145(5) 2 ?
La1 Pd1 3.4145(5) 10 ?
La1 Pd1 3.4145(5) 12 ?
Pd1 O1LA 1.998(4) . ?
Pd1 O1LA 2.003(4) 2 ?
Pd1 O3A 2.012(6) . ?
Pd1 O2A 2.028(5) . ?
Pd2 O1LA 2.004(5) 12 ?
Pd2 O1LA 2.004(5) 2 ?
Pd2 O1A 2.021(5) . ?
Pd2 O1A 2.021(5) 11 ?
As1 O3A 1.700(6) 2 ?
As1 O2A 1.701(5) . ?
As1 O1A 1.703(5) . ?
As1 C1 1.897(7) . ?
C1 C2 1.361(12) . ?
C1 C6 1.408(11) . ?
C2 C3 1.412(15) . ?
C2 H2 0.9500 . ?
C3 C4 1.342(15) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(14) . ?
C4 H4 0.9500 . ?
C5 C6 1.397(13) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
O1LA Pd1 2.003(4) 4 ?
O1LA Pd2 2.004(5) 10 ?
O3A As1 1.699(6) 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
O1LA La1 O1LA 109.37(11) . 10 ?
O1LA La1 O1LA 70.63(11) . 2 ?
O1LA La1 O1LA 180.0(2) 10 2 ?
O1LA La1 O1LA 180.0 . 9 ?
O1LA La1 O1LA 70.63(11) 10 9 ?
O1LA La1 O1LA 109.37(11) 2 9 ?
O1LA La1 O1LA 109.37(11) . 12 ?
O1LA La1 O1LA 109.7(2) 10 12 ?
O1LA La1 O1LA 70.3(2) 2 12 ?
O1LA La1 O1LA 70.63(11) 9 12 ?
O1LA La1 O1LA 70.63(11) . 4 ?
O1LA La1 O1LA 70.3(2) 10 4 ?
O1LA La1 O1LA 109.7(2) 2 4 ?
O1LA La1 O1LA 109.37(11) 9 4 ?
O1LA La1 O1LA 180.0(3) 12 4 ?
O1LA La1 O1LA 70.3(2) . 11 ?
O1LA La1 O1LA 70.63(11) 10 11 ?
O1LA La1 O1LA 109.37(11) 2 11 ?
O1LA La1 O1LA 109.7(2) 9 11 ?
O1LA La1 O1LA 70.63(11) 12 11 ?
O1LA La1 O1LA 109.37(11) 4 11 ?
O1LA La1 O1LA 109.7(2) . 3 ?
O1LA La1 O1LA 109.37(11) 10 3 ?
O1LA La1 O1LA 70.63(11) 2 3 ?
O1LA La1 O1LA 70.3(2) 9 3 ?
O1LA La1 O1LA 109.37(11) 12 3 ?
O1LA La1 O1LA 70.63(11) 4 3 ?
O1LA La1 O1LA 180.0(3) 11 3 ?
O1LA La1 Pd1 144.74(10) . 9 ?
O1LA La1 Pd1 35.37(10) 10 9 ?
O1LA La1 Pd1 144.63(10) 2 9 ?
O1LA La1 Pd1 35.26(10) 9 9 ?
O1LA La1 Pd1 90.01(11) 12 9 ?
O1LA La1 Pd1 89.99(11) 4 9 ?
O1LA La1 Pd1 90.07(10) 11 9 ?
O1LA La1 Pd1 89.93(10) 3 9 ?
O1LA La1 Pd1 90.01(11) . 2 ?
O1LA La1 Pd1 144.74(10) 10 2 ?
O1LA La1 Pd1 35.26(10) 2 2 ?
O1LA La1 Pd1 89.99(11) 9 2 ?
O1LA La1 Pd1 89.93(10) 12 2 ?
O1LA La1 Pd1 90.07(10) 4 2 ?
O1LA La1 Pd1 144.63(10) 11 2 ?
O1LA La1 Pd1 35.37(10) 3 2 ?
Pd1 La1 Pd1 120.066(10) 9 2 ?
O1LA La1 Pd1 89.99(11) . 10 ?
O1LA La1 Pd1 35.26(10) 10 10 ?
O1LA La1 Pd1 144.74(10) 2 10 ?
O1LA La1 Pd1 90.01(11) 9 10 ?
O1LA La1 Pd1 90.07(10) 12 10 ?
O1LA La1 Pd1 89.93(10) 4 10 ?
O1LA La1 Pd1 35.37(10) 11 10 ?
O1LA La1 Pd1 144.63(10) 3 10 ?
Pd1 La1 Pd1 59.934(10) 9 10 ?
Pd1 La1 Pd1 180.00(2) 2 10 ?
O1LA La1 Pd1 144.63(10) . 12 ?
O1LA La1 Pd1 90.07(10) 10 12 ?
O1LA La1 Pd1 89.93(10) 2 12 ?
O1LA La1 Pd1 35.37(10) 9 12 ?
O1LA La1 Pd1 35.26(10) 12 12 ?
O1LA La1 Pd1 144.74(10) 4 12 ?
O1LA La1 Pd1 90.01(11) 11 12 ?
O1LA La1 Pd1 89.99(11) 3 12 ?
Pd1 La1 Pd1 59.934(10) 9 12 ?
Pd1 La1 Pd1 90.114(18) 2 12 ?
Pd1 La1 Pd1 89.886(18) 10 12 ?
O1LA Pd1 O1LA 90.5(3) . 2 ?
O1LA Pd1 O3A 90.5(2) . . ?
O1LA Pd1 O3A 178.9(2) 2 . ?
O1LA Pd1 O2A 178.4(2) . . ?
O1LA Pd1 O2A 89.5(2) 2 . ?
O3A Pd1 O2A 89.5(2) . . ?
O1LA Pd1 La1 45.25(14) . . ?
O1LA Pd1 La1 45.27(14) 2 . ?
O3A Pd1 La1 135.74(16) . . ?
O2A Pd1 La1 134.72(15) . . ?
O1LA Pd2 O1LA 89.9(3) 12 2 ?
O1LA Pd2 O1A 179.5(2) 12 . ?
O1LA Pd2 O1A 89.6(2) 2 . ?
O1LA Pd2 O1A 89.6(2) 12 11 ?
O1LA Pd2 O1A 179.5(2) 2 11 ?
O1A Pd2 O1A 90.9(3) . 11 ?
O1LA Pd2 La1 44.95(14) 12 . ?
O1LA Pd2 La1 44.95(14) 2 . ?
O1A Pd2 La1 134.55(15) . . ?
O1A Pd2 La1 134.55(15) 11 . ?
O3A As1 O2A 111.3(3) 2 . ?
O3A As1 O1A 112.5(3) 2 . ?
O2A As1 O1A 113.7(3) . . ?
O3A As1 C1 107.8(3) 2 . ?
O2A As1 C1 104.9(3) . . ?
O1A As1 C1 106.2(3) . . ?
C2 C1 C6 120.3(8) . . ?
C2 C1 As1 120.8(6) . . ?
C6 C1 As1 118.8(6) . . ?
C1 C2 C3 118.9(9) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C4 C3 C2 121.0(11) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 121.2(11) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C4 C5 C6 118.8(9) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
C5 C6 C1 119.6(8) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
Pd1 O1LA Pd1 117.0(2) . 4 ?
Pd1 O1LA Pd2 117.3(2) . 10 ?
Pd1 O1LA Pd2 117.6(2) 4 10 ?
Pd1 O1LA La1 99.49(18) . . ?
Pd1 O1LA La1 99.36(18) 4 . ?
Pd2 O1LA La1 99.88(19) 10 . ?
As1 O1A Pd2 116.3(3) . . ?
As1 O2A Pd1 116.2(3) . . ?
As1 O3A Pd1 115.5(3) 4 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3A As1 C1 C2 -68.4(7) 2 . . . ?
O2A As1 C1 C2 173.0(7) . . . . ?
O1A As1 C1 C2 52.3(7) . . . . ?
O3A As1 C1 C6 107.5(6) 2 . . . ?
O2A As1 C1 C6 -11.1(7) . . . . ?
O1A As1 C1 C6 -131.7(6) . . . . ?
C6 C1 C2 C3 0.9(13) . . . . ?
As1 C1 C2 C3 176.8(8) . . . . ?
C1 C2 C3 C4 2.7(16) . . . . ?
C2 C3 C4 C5 -4.6(17) . . . . ?
C3 C4 C5 C6 2.7(16) . . . . ?
C4 C5 C6 C1 0.9(14) . . . . ?
C2 C1 C6 C5 -2.7(13) . . . . ?
As1 C1 C6 C5 -178.6(7) . . . . ?
O3A As1 O1A Pd2 -64.1(4) 2 . . . ?
O2A As1 O1A Pd2 63.5(4) . . . . ?
C1 As1 O1A Pd2 178.2(3) . . . . ?
O3A As1 O2A Pd1 66.7(4) 2 . . . ?
O1A As1 O2A Pd1 -61.4(4) . . . . ?
C1 As1 O2A Pd1 -177.0(3) . . . . ?

_refine_diff_density_max         4.880
_refine_diff_density_min         -2.687
_refine_diff_density_rms         0.672

_shelxl_version_number           2014/6

####################################################################### 
# 
# 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_try
_database_code_depnum_ccdc_archive 'CCDC 1555483'
_audit_update_record             
;
2017-06-10 deposited with the CCDC.
2017-09-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H122 As6 La Na3 O73 Pd12'
_chemical_formula_weight         3729.59

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'
O O 0.0106 0.0060 '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'
As As 0.0499 2.0058 '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'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   13.0985(9)
_cell_length_b                   16.2291(12)
_cell_length_c                   22.9839(14)
_cell_angle_alpha                103.266(3)
_cell_angle_beta                 92.094(3)
_cell_angle_gamma                97.633(4)
_cell_volume                     4701.9(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9467
_cell_measurement_theta_min      2.83
_cell_measurement_theta_max      28.09

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_F_000             1798
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    2.453
_shelx_estimated_absorpt_T_min   0.640
_shelx_estimated_absorpt_T_max   0.710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.618
_exptl_absorpt_correction_T_max  0.692
_exptl_absorpt_process_details   ?
_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 x8'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            160109
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_av_R_equivalents  0.0608
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.303
_diffrn_reflns_theta_max         28.333
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             23219
_reflns_number_gt                18151
_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.
 
 _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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.1200P)²+195.7335P] 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         23219
_refine_ls_number_parameters     497
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1092
_refine_ls_R_factor_gt           0.0845
_refine_ls_wR_factor_ref         0.2626
_refine_ls_wR_factor_gt          0.2376
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.081
_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
La1 La 0.96302(6) 0.53483(5) 0.27387(3) 0.02323(17) Uani 1 1 d . . . . .
Pd1 Pd 0.94310(8) 0.31785(7) 0.29374(4) 0.0247(2) Uani 1 1 d . . . . .
Pd2 Pd 1.09248(8) 0.47111(7) 0.39567(4) 0.0252(2) Uani 1 1 d . . . . .
Pd3 Pd 1.15135(8) 0.65322(7) 0.39413(4) 0.0260(2) Uani 1 1 d . . . . .
Pd4 Pd 1.06796(8) 0.76379(7) 0.31891(5) 0.0262(2) Uani 1 1 d . . . . .
Pd5 Pd 0.84873(8) 0.71748(8) 0.24634(5) 0.0283(2) Uani 1 1 d . . . . .
Pd6 Pd 0.69669(8) 0.55952(8) 0.24694(5) 0.0273(2) Uani 1 1 d . . . . .
Pd7 Pd 0.72091(8) 0.39738(8) 0.27988(5) 0.0284(2) Uani 1 1 d . . . . .
Pd8 Pd 1.16498(8) 0.40627(7) 0.25716(4) 0.0248(2) Uani 1 1 d . . . . .
Pd9 Pd 0.86474(8) 0.34531(7) 0.16269(4) 0.0254(2) Uani 1 1 d . . . . .
Pd10 Pd 0.83833(8) 0.52712(7) 0.12899(4) 0.0257(2) Uani 1 1 d . . . . .
Pd11 Pd 1.23115(7) 0.60736(7) 0.25676(4) 0.0238(2) Uani 1 1 d . . . . .
Pd12 Pd 1.08073(7) 0.46179(7) 0.13777(4) 0.0248(2) Uani 1 1 d . . . . .
O1LA O 1.0488(7) 0.4217(6) 0.3105(4) 0.0256(19) Uiso 1 1 d . . . . .
O2LA O 1.1256(7) 0.5045(6) 0.2248(4) 0.0237(18) Uiso 1 1 d . . . . .
O3LA O 1.0185(7) 0.5703(6) 0.3866(4) 0.0257(19) Uiso 1 1 d . . . . .
O4LA O 1.1206(7) 0.6532(6) 0.3092(4) 0.0254(19) Uiso 1 1 d . . . . .
O5LA O 0.9281(8) 0.6926(6) 0.3156(4) 0.029(2) Uiso 1 1 d . . . . .
O6LA O 0.8310(7) 0.5924(6) 0.2141(4) 0.0263(19) Uiso 1 1 d . . . . .
O7LA O 0.7798(7) 0.5218(6) 0.3104(4) 0.0268(19) Uiso 1 1 d . . . . .
O8LA O 0.8597(7) 0.3835(6) 0.2513(4) 0.0242(18) Uiso 1 1 d . . . . .
O9LA O 0.9352(7) 0.4623(6) 0.1641(4) 0.0243(18) Uiso 1 1 d . . . . .
O1A1 O 1.0280(8) 0.2499(7) 0.3356(5) 0.032(2) Uiso 1 1 d . . . . .
O2A1 O 1.2074(8) 0.3049(7) 0.2870(5) 0.033(2) Uiso 1 1 d . . . . .
O3A1 O 1.1744(8) 0.3784(7) 0.4063(5) 0.031(2) Uiso 1 1 d . . . . .
O1A2 O 1.2797(8) 0.3863(7) 0.2019(5) 0.033(2) Uiso 1 1 d . . . . .
O2A2 O 1.2261(8) 0.4601(6) 0.1087(4) 0.029(2) Uiso 1 1 d . . . . .
O3A2 O 1.3447(8) 0.5598(7) 0.2086(5) 0.031(2) Uiso 1 1 d . . . . .
O1A3 O 1.2778(8) 0.7428(7) 0.4049(5) 0.034(2) Uiso 1 1 d . . . . .
O2A3 O 1.3401(8) 0.7112(7) 0.2883(5) 0.033(2) Uiso 1 1 d . . . . .
O3A3 O 1.2089(9) 0.8325(7) 0.3246(5) 0.035(2) Uiso 1 1 d . . . . .
O1A4 O 0.6129(8) 0.6009(7) 0.1881(5) 0.032(2) Uiso 1 1 d . . . . .
O2A4 O 0.7399(8) 0.5907(7) 0.0915(5) 0.032(2) Uiso 1 1 d . . . . .
O3A4 O 0.7599(9) 0.7405(7) 0.1798(5) 0.038(2) Uiso 1 1 d . . . . .
O1A5 O 0.8696(8) 0.3063(7) 0.0730(5) 0.034(2) Uiso 1 1 d . . . . .
O2A5 O 0.8415(8) 0.4591(7) 0.0426(5) 0.033(2) Uiso 1 1 d . . . . .
O3A5 O 1.0363(8) 0.4167(7) 0.0493(5) 0.034(2) Uiso 1 1 d . . . . .
O1A6 O 0.6582(9) 0.2754(7) 0.2463(5) 0.039(2) Uiso 1 1 d . . . . .
O2A6 O 0.8361(9) 0.2124(7) 0.2769(5) 0.035(2) Uiso 1 1 d . . . . .
O3A6 O 0.7927(9) 0.2244(8) 0.1593(5) 0.039(2) Uiso 1 1 d . . . . .
O1C O 0.5822(9) 0.4143(7) 0.3125(5) 0.036(2) Uiso 1 1 d . . . . .
O2C O 0.5588(9) 0.5340(7) 0.2833(5) 0.035(2) Uiso 1 1 d . . . . .
O3C O 1.1315(8) 0.5189(7) 0.4835(5) 0.034(2) Uiso 1 1 d . . . . .
O4C O 1.1839(9) 0.6584(7) 0.4815(5) 0.035(2) Uiso 1 1 d . . . . .
O5C O 1.0109(9) 0.8760(7) 0.3360(5) 0.037(2) Uiso 1 1 d . . . . .
O6C O 0.8581(10) 0.8426(8) 0.2830(5) 0.042(3) Uiso 1 1 d . . . . .
As1 As 1.15543(11) 0.28824(10) 0.35006(6) 0.0276(3) Uani 1 1 d . . . . .
C1 C 1.2198(9) 0.2052(7) 0.3771(6) 0.035(3) Uiso 1 1 d G . . . .
C2 C 1.1917(10) 0.1194(8) 0.3484(6) 0.063(6) Uiso 1 1 d G . . . .
H20 H 1.1396 0.1033 0.3164 0.076 Uiso 1 1 calc R U . . .
C3 C 1.2400(12) 0.0573(6) 0.3665(7) 0.069(6) Uiso 1 1 d G . . . .
H21 H 1.2208 -0.0013 0.3469 0.083 Uiso 1 1 calc R U . . .
C4 C 1.3162(12) 0.0809(9) 0.4133(7) 0.071(6) Uiso 1 1 d G . . . .
H22 H 1.3491 0.0385 0.4257 0.085 Uiso 1 1 calc R U . . .
C5 C 1.3442(11) 0.1667(10) 0.4420(6) 0.080(7) Uiso 1 1 d G . . . .
H23 H 1.3963 0.1828 0.4740 0.096 Uiso 1 1 calc R U . . .
C6 C 1.2960(11) 0.2288(7) 0.4239(6) 0.065(6) Uiso 1 1 d G . . . .
H24 H 1.3152 0.2875 0.4435 0.078 Uiso 1 1 calc R U . . .
As2 As 1.31668(10) 0.46055(10) 0.16316(6) 0.0268(3) Uani 1 1 d . . . . .
C8 C 1.4936(8) 0.3766(7) 0.1542(4) 0.043(4) Uiso 1 1 d G . . . .
H31 H 1.4723 0.3606 0.1896 0.052 Uiso 1 1 calc R U . . .
C7 C 1.4372(7) 0.4273(7) 0.1282(4) 0.033(3) Uiso 1 1 d G . . . .
C12 C 1.4684(8) 0.4507(7) 0.0764(5) 0.038(3) Uiso 1 1 d G . . . .
H32 H 1.4298 0.4853 0.0587 0.046 Uiso 1 1 calc R U . . .
C11 C 1.5562(8) 0.4235(8) 0.0506(4) 0.046(4) Uiso 1 1 d G . . . .
H34 H 1.5775 0.4395 0.0152 0.055 Uiso 1 1 calc R U . . .
C10 C 1.6126(7) 0.3729(7) 0.0765(5) 0.041(4) Uiso 1 1 d G . . . .
H33 H 1.6726 0.3543 0.0589 0.049 Uiso 1 1 calc R U . . .
C9 C 1.5814(8) 0.3495(7) 0.1283(5) 0.046(4) Uiso 1 1 d G . . . .
H35 H 1.6200 0.3149 0.1461 0.055 Uiso 1 1 calc R U . . .
As3 As 1.30690(11) 0.78572(10) 0.34533(7) 0.0297(3) Uani 1 1 d . . . . .
C13 C 1.4217(9) 0.8729(7) 0.3681(6) 0.037(3) Uiso 1 1 d G . . . .
C14 C 1.4758(13) 0.8869(11) 0.4235(6) 0.075(7) Uiso 1 1 d G . . . .
H14 H 1.4540 0.8535 0.4510 0.090 Uiso 1 1 calc R U . . .
C15 C 1.5618(14) 0.9497(13) 0.4387(6) 0.120(13) Uiso 1 1 d G . . . .
H15 H 1.5987 0.9592 0.4766 0.144 Uiso 1 1 calc R U . . .
C16 C 1.5937(11) 0.9985(11) 0.3985(8) 0.096(9) Uiso 1 1 d G . . . .
H16 H 1.6525 1.0414 0.4089 0.116 Uiso 1 1 calc R U . . .
C17 C 1.5397(11) 0.9845(9) 0.3432(7) 0.059(5) Uiso 1 1 d G . . . .
H17 H 1.5615 1.0179 0.3157 0.071 Uiso 1 1 calc R U . . .
C18 C 1.4537(10) 0.9218(8) 0.3280(5) 0.046(4) Uiso 1 1 d G . . . .
H18 H 1.4167 0.9122 0.2901 0.056 Uiso 1 1 calc R U . . .
As4 As 0.67555(11) 0.65358(11) 0.14073(7) 0.0310(3) Uani 1 1 d . . . . .
C19 C 0.5725(8) 0.6960(8) 0.1009(6) 0.040(4) Uiso 1 1 d G . . . .
C24 C 0.4709(9) 0.6824(8) 0.1160(5) 0.051(4) Uiso 1 1 d G . . . .
H8 H 0.4527 0.6471 0.1429 0.061 Uiso 1 1 calc R U . . .
C23 C 0.3959(7) 0.7203(9) 0.0918(6) 0.057(5) Uiso 1 1 d G . . . .
H9 H 0.3264 0.7110 0.1022 0.068 Uiso 1 1 calc R U . . .
C22 C 0.4225(9) 0.7719(9) 0.0525(6) 0.054(5) Uiso 1 1 d G . . . .
H10 H 0.3712 0.7979 0.0360 0.065 Uiso 1 1 calc R U . . .
C21 C 0.5241(10) 0.7856(9) 0.0374(6) 0.061(5) Uiso 1 1 d G . . . .
H11 H 0.5423 0.8209 0.0105 0.074 Uiso 1 1 calc R U . . .
C20 C 0.5991(7) 0.7477(9) 0.0616(6) 0.054(5) Uiso 1 1 d G . . . .
H12 H 0.6686 0.7570 0.0513 0.065 Uiso 1 1 calc R U . . .
As5 As 0.91024(11) 0.37782(11) 0.03338(6) 0.0298(3) Uani 1 1 d . . . . .
C30 C 0.8443(10) 0.2273(7) -0.0615(5) 0.045(4) Uiso 1 1 d G . . . .
H37 H 0.8235 0.2007 -0.0302 0.054 Uiso 1 1 calc R U . . .
C25 C 0.8908(9) 0.3122(7) -0.0478(4) 0.037(3) Uiso 1 1 d G . . . .
C26 C 0.9212(10) 0.3512(6) -0.0935(5) 0.046(4) Uiso 1 1 d G . . . .
H42 H 0.9530 0.4093 -0.0842 0.056 Uiso 1 1 calc R U . . .
C27 C 0.9051(12) 0.3053(8) -0.1529(5) 0.063(6) Uiso 1 1 d G . . . .
H40 H 0.9259 0.3320 -0.1841 0.076 Uiso 1 1 calc R U . . .
C28 C 0.8586(12) 0.2204(8) -0.1666(4) 0.063(6) Uiso 1 1 d G . . . .
H39 H 0.8476 0.1891 -0.2071 0.076 Uiso 1 1 calc R U . . .
C29 C 0.8282(11) 0.1815(6) -0.1208(6) 0.060(5) Uiso 1 1 d G . . . .
H41 H 0.7964 0.1234 -0.1302 0.072 Uiso 1 1 calc R U . . .
As6 As 0.74206(11) 0.20569(10) 0.22310(7) 0.0307(3) Uani 1 1 d . . . . .
C31 C 0.6692(10) 0.0915(6) 0.2066(6) 0.034(3) Uiso 1 1 d G . . . .
C36 C 0.7229(7) 0.0240(8) 0.2091(6) 0.057(5) Uiso 1 1 d G . . . .
H26 H 0.7953 0.0345 0.2188 0.068 Uiso 1 1 calc R U . . .
C35 C 0.6706(10) -0.0590(7) 0.1976(7) 0.062(5) Uiso 1 1 d G . . . .
H27 H 0.7073 -0.1052 0.1994 0.075 Uiso 1 1 calc R U . . .
C34 C 0.5646(10) -0.0745(7) 0.1835(7) 0.054(5) Uiso 1 1 d G . . . .
H28 H 0.5289 -0.1312 0.1757 0.065 Uiso 1 1 calc R U . . .
C33 C 0.5109(8) -0.0069(10) 0.1810(8) 0.097(9) Uiso 1 1 d G . . . .
H29 H 0.4385 -0.0175 0.1714 0.116 Uiso 1 1 calc R U . . .
C32 C 0.5632(10) 0.0761(8) 0.1925(8) 0.081(7) Uiso 1 1 d G . . . .
H30 H 0.5265 0.1223 0.1908 0.097 Uiso 1 1 calc R U . . .
C37 C 1.1668(12) 0.5934(10) 0.5072(7) 0.031(3) Uiso 1 1 d . . . . .
C38 C 1.1937(12) 0.6159(10) 0.5743(7) 0.034(3) Uiso 1 1 d . . . . .
H4A H 1.1321 0.6292 0.5955 0.051 Uiso 1 1 calc R U . . .
H4B H 1.2478 0.6657 0.5849 0.051 Uiso 1 1 calc R U . . .
H4C H 1.2185 0.5672 0.5860 0.051 Uiso 1 1 calc R U . . .
C39 C 0.5318(12) 0.4733(10) 0.3089(7) 0.034(3) Uiso 1 1 d . . . . .
C40 C 0.4300(14) 0.4749(12) 0.3372(8) 0.046(4) Uiso 1 1 d . . . . .
H6A H 0.4224 0.4329 0.3618 0.068 Uiso 1 1 calc R U . . .
H6B H 0.3736 0.4607 0.3057 0.068 Uiso 1 1 calc R U . . .
H6C H 0.4277 0.5321 0.3624 0.068 Uiso 1 1 calc R U . . .
C41 C 0.9271(12) 0.8969(10) 0.3182(7) 0.035(3) Uiso 1 1 d . . . . .
C42 C 0.9008(19) 0.9803(15) 0.3426(11) 0.063(6) Uiso 1 1 d . . . . .
H2A H 0.9187 0.9966 0.3859 0.094 Uiso 1 1 calc R U . . .
H2B H 0.8265 0.9795 0.3351 0.094 Uiso 1 1 calc R U . . .
H2C H 0.9391 1.0219 0.3236 0.094 Uiso 1 1 calc R U . . .
Na1 Na 0.8104(5) 0.5748(4) -0.0034(3) 0.0363(14) Uani 1 1 d . . . . .
Na2 Na 0.4915(5) 0.6530(5) 0.2634(3) 0.0435(16) Uani 1 1 d . . . . .
Na3 Na 1.2821(14) 0.2359(12) 0.1980(8) 0.016(3) Uiso 0.25 1 d . . P . .
Na4 Na 0.9548(19) 0.0540(16) 0.0073(11) 0.035(5) Uiso 0.25 1 d . . P . .
Na5 Na 1.1846(17) 0.1640(14) 0.0446(10) 0.026(4) Uiso 0.25 1 d . . P . .
O1W O 0.9213(9) 0.6368(8) 0.4764(5) 0.040(3) Uiso 1 1 d . . . . .
O2W O 0.9750(11) 0.2166(9) 0.4441(6) 0.053(3) Uiso 1 1 d . . . . .
O3W O 0.3505(11) 0.4560(9) 0.4895(6) 0.053(3) Uiso 1 1 d . . . . .
O4W O 0.6976(12) 0.5982(10) 0.4090(7) 0.060(4) Uiso 1 1 d . . . . .
O5W O 0.8265(14) 0.7566(12) 0.4070(8) 0.023(4) Uiso 0.5 1 d . . P . .
O6W O 0.7875(13) 0.1529(11) 0.4820(7) 0.019(3) Uiso 0.5 1 d . . P . .
O7W O 0.6052(15) 0.7810(12) 0.2739(8) 0.025(4) Uiso 0.5 1 d . . P . .
O8W O 0.0709(16) 0.1144(13) 0.5030(9) 0.030(4) Uiso 0.5 1 d . . P . .
O9W O 0.8471(16) 0.7267(14) 0.0181(9) 0.032(4) Uiso 0.5 1 d . . P . .
O10W O 0.7078(15) 0.1682(12) 0.3667(8) 0.026(4) Uiso 0.5 1 d . . P . .
O11W O 0.4688(17) 0.6125(14) 0.5441(10) 0.035(5) Uiso 0.5 1 d . . P . .
O12W O 0.8895(16) 0.0508(13) 0.5433(9) 0.031(4) Uiso 0.5 1 d . . P . .
O13W O 0.5626(19) 0.6939(16) 0.3757(11) 0.042(5) Uiso 0.5 1 d . . P . .
O14W O 1.353(2) 0.200(2) 0.0995(14) 0.015(6) Uiso 0.25 1 d . . P . .
O15W O 0.8865(18) 0.8453(15) 0.1311(10) 0.039(5) Uiso 0.5 1 d . . P . .
O16W O 0.457(2) 0.7399(17) 0.6425(12) 0.048(6) Uiso 0.5 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1 O2LA 2.499(9) . ?
La1 O9LA 2.517(9) . ?
La1 O1LA 2.556(9) . ?
La1 O6LA 2.568(10) . ?
La1 O7LA 2.569(10) . ?
La1 O8LA 2.572(9) . ?
La1 O3LA 2.576(9) . ?
La1 O4LA 2.592(10) . ?
La1 O5LA 2.626(10) . ?
La1 Pd8 3.5597(12) . ?
La1 Pd12 3.5643(12) . ?
La1 Pd9 3.5704(14) . ?
Pd1 O1LA 1.987(10) . ?
Pd1 O8LA 1.997(9) . ?
Pd1 O2A6 2.016(11) . ?
Pd1 O1A1 2.029(10) . ?
Pd2 O1LA 1.969(9) . ?
Pd2 O3C 2.009(11) . ?
Pd2 O3A1 2.014(10) . ?
Pd2 O3LA 2.032(10) . ?
Pd2 Pd3 2.9623(16) . ?
Pd3 O4LA 1.978(9) . ?
Pd3 O4C 2.019(11) . ?
Pd3 O1A3 2.021(11) . ?
Pd3 O3LA 2.029(10) . ?
Pd3 Pd4 3.0346(15) . ?
Pd4 O4LA 1.976(10) . ?
Pd4 O3A3 2.009(11) . ?
Pd4 O5C 2.021(11) . ?
Pd4 O5LA 2.021(10) . ?
Pd4 Pd5 3.1772(15) . ?
Pd5 O6LA 1.974(10) . ?
Pd5 O6C 1.997(12) . ?
Pd5 O5LA 2.016(10) . ?
Pd5 O3A4 2.020(12) . ?
Pd5 Pd6 3.0330(17) . ?
Pd6 O6LA 1.995(10) . ?
Pd6 O1A4 1.997(11) . ?
Pd6 O7LA 2.039(10) . ?
Pd6 O2C 2.050(11) . ?
Pd6 Pd7 2.9525(17) . ?
Pd6 Na2 3.249(6) . ?
Pd7 O8LA 1.978(9) . ?
Pd7 O1A6 2.003(12) . ?
Pd7 O7LA 2.015(10) . ?
Pd7 O1C 2.019(11) . ?
Pd8 O1LA 1.995(9) . ?
Pd8 O1A2 2.014(11) . ?
Pd8 O2LA 2.024(9) . ?
Pd8 O2A1 2.055(11) . ?
Pd8 Na3 3.377(18) . ?
Pd9 O9LA 1.990(9) . ?
Pd9 O8LA 1.995(9) . ?
Pd9 O1A5 2.018(11) . ?
Pd9 O3A6 2.045(12) . ?
Pd10 O9LA 2.010(9) . ?
Pd10 O6LA 2.013(10) . ?
Pd10 O2A4 2.037(11) . ?
Pd10 O2A5 2.044(11) . ?
Pd10 Na1 3.327(6) . ?
Pd11 O2LA 1.997(9) . ?
Pd11 O3A2 2.017(10) . ?
Pd11 O4LA 2.027(10) . ?
Pd11 O2A3 2.032(11) . ?
Pd11 Na2 3.383(6) 1_655 ?
Pd12 O2LA 1.999(9) . ?
Pd12 O9LA 2.022(9) . ?
Pd12 O3A5 2.030(11) . ?
Pd12 O2A2 2.042(10) . ?
Pd12 Na1 3.409(6) 2_765 ?
O1A1 As1 1.695(11) . ?
O2A1 As1 1.686(11) . ?
O2A1 Na3 2.40(2) . ?
O3A1 As1 1.698(11) . ?
O1A2 As2 1.688(11) . ?
O1A2 Na3 2.43(2) . ?
O2A2 As2 1.691(10) . ?
O2A2 Na1 2.371(12) 2_765 ?
O3A2 As2 1.692(11) . ?
O3A2 Na2 2.397(13) 1_655 ?
O1A3 As3 1.706(11) . ?
O2A3 As3 1.680(11) . ?
O2A3 Na2 2.343(12) 1_655 ?
O3A3 As3 1.682(11) . ?
O1A4 As4 1.703(10) . ?
O1A4 Na2 2.474(13) . ?
O2A4 As4 1.674(11) . ?
O2A4 Na1 2.373(12) . ?
O3A4 As4 1.717(12) . ?
O1A5 As5 1.679(11) . ?
O2A5 As5 1.672(11) . ?
O2A5 Na1 2.428(12) . ?
O3A5 As5 1.683(11) . ?
O3A5 Na1 2.304(12) 2_765 ?
O1A6 As6 1.693(12) . ?
O2A6 As6 1.689(11) . ?
O3A6 As6 1.704(12) . ?
O1C C39 1.249(19) . ?
O2C C39 1.277(19) . ?
O2C Na2 2.354(13) . ?
O3C C37 1.226(19) . ?
O4C C37 1.321(18) . ?
O5C C41 1.271(19) . ?
O6C C41 1.29(2) . ?
As1 C1 1.886(10) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
As2 C7 1.884(7) . ?
C8 C7 1.3900 . ?
C8 C9 1.3900 . ?
C7 C12 1.3900 . ?
C12 C11 1.3900 . ?
C11 C10 1.3900 . ?
C10 C9 1.3900 . ?
As3 C13 1.891(10) . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 C18 1.3900 . ?
As4 C19 1.892(9) . ?
C19 C24 1.3900 . ?
C19 C20 1.3900 . ?
C24 C23 1.3900 . ?
C23 C22 1.3900 . ?
C22 C21 1.3900 . ?
C21 C20 1.3900 . ?
As5 C25 1.914(9) . ?
C30 C25 1.3900 . ?
C30 C29 1.3900 . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C28 C29 1.3900 . ?
As6 C31 1.915(10) . ?
C31 C36 1.3900 . ?
C31 C32 1.3900 . ?
C36 C35 1.3900 . ?
C35 C34 1.3900 . ?
C34 C33 1.3900 . ?
C33 C32 1.3900 . ?
C37 C38 1.52(2) . ?
C39 C40 1.50(2) . ?
C41 C42 1.43(3) . ?
Na1 O3A5 2.304(12) 2_765 ?
Na1 O2A2 2.370(12) 2_765 ?
Na1 O9W 2.38(2) . ?
Na1 Pd12 3.409(6) 2_765 ?
Na2 O2A3 2.343(12) 1_455 ?
Na2 O7W 2.35(2) . ?
Na2 O3A2 2.397(13) 1_455 ?
Na2 O13W 2.62(3) . ?
Na2 Pd11 3.383(6) 1_455 ?
Na3 O14W 2.45(4) . ?
Na3 Na5 3.58(3) . ?
Na4 Na4 2.21(5) 2_755 ?
Na4 Na5 3.27(3) . ?
Na4 Na5 3.67(3) 2_755 ?
Na5 O14W 2.43(4) . ?
Na5 O9W 2.59(3) 2_765 ?
Na5 Na4 3.67(3) 2_755 ?
O9W Na5 2.59(3) 2_765 ?

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
O2LA La1 O9LA 66.1(3) . . ?
O2LA La1 O1LA 66.6(3) . . ?
O9LA La1 O1LA 99.0(3) . . ?
O2LA La1 O6LA 116.4(3) . . ?
O9LA La1 O6LA 64.7(3) . . ?
O1LA La1 O6LA 156.7(3) . . ?
O2LA La1 O7LA 164.0(3) . . ?
O9LA La1 O7LA 103.3(3) . . ?
O1LA La1 O7LA 105.2(3) . . ?
O6LA La1 O7LA 65.5(3) . . ?
O2LA La1 O8LA 100.7(3) . . ?
O9LA La1 O8LA 65.7(3) . . ?
O1LA La1 O8LA 63.7(3) . . ?
O6LA La1 O8LA 93.5(3) . . ?
O7LA La1 O8LA 63.4(3) . . ?
O2LA La1 O3LA 103.5(3) . . ?
O9LA La1 O3LA 163.0(3) . . ?
O1LA La1 O3LA 64.0(3) . . ?
O6LA La1 O3LA 131.8(3) . . ?
O7LA La1 O3LA 83.6(3) . . ?
O8LA La1 O3LA 105.1(3) . . ?
O2LA La1 O4LA 65.0(3) . . ?
O9LA La1 O4LA 118.5(3) . . ?
O1LA La1 O4LA 93.7(3) . . ?
O6LA La1 O4LA 108.6(3) . . ?
O7LA La1 O4LA 130.5(3) . . ?
O8LA La1 O4LA 157.3(3) . . ?
O3LA La1 O4LA 64.2(3) . . ?
O2LA La1 O5LA 121.1(3) . . ?
O9LA La1 O5LA 122.0(3) . . ?
O1LA La1 O5LA 138.4(3) . . ?
O6LA La1 O5LA 62.2(3) . . ?
O7LA La1 O5LA 74.4(3) . . ?
O8LA La1 O5LA 137.4(3) . . ?
O3LA La1 O5LA 74.7(3) . . ?
O4LA La1 O5LA 61.9(3) . . ?
O2LA La1 Pd8 33.6(2) . . ?
O9LA La1 Pd8 79.1(2) . . ?
O1LA La1 Pd8 33.2(2) . . ?
O6LA La1 Pd8 142.7(2) . . ?
O7LA La1 Pd8 135.8(2) . . ?
O8LA La1 Pd8 78.7(2) . . ?
O3LA La1 Pd8 85.2(2) . . ?
O4LA La1 Pd8 80.4(2) . . ?
O5LA La1 Pd8 141.9(2) . . ?
O2LA La1 Pd12 32.9(2) . . ?
O9LA La1 Pd12 33.6(2) . . ?
O1LA La1 Pd12 84.8(2) . . ?
O6LA La1 Pd12 88.5(2) . . ?
O7LA La1 Pd12 136.6(2) . . ?
O8LA La1 Pd12 85.6(2) . . ?
O3LA La1 Pd12 136.1(2) . . ?
O4LA La1 Pd12 89.5(2) . . ?
O5LA La1 Pd12 124.8(2) . . ?
Pd8 La1 Pd12 54.77(3) . . ?
O2LA La1 Pd9 80.3(2) . . ?
O9LA La1 Pd9 32.7(2) . . ?
O1LA La1 Pd9 78.3(2) . . ?
O6LA La1 Pd9 79.5(2) . . ?
O7LA La1 Pd9 84.6(2) . . ?
O8LA La1 Pd9 33.1(2) . . ?
O3LA La1 Pd9 135.6(2) . . ?
O4LA La1 Pd9 144.6(2) . . ?
O5LA La1 Pd9 141.2(2) . . ?
Pd8 La1 Pd9 74.24(3) . . ?
Pd12 La1 Pd9 55.68(3) . . ?
O1LA Pd1 O8LA 85.6(4) . . ?
O1LA Pd1 O2A6 179.8(5) . . ?
O8LA Pd1 O2A6 94.6(4) . . ?
O1LA Pd1 O1A1 94.7(4) . . ?
O8LA Pd1 O1A1 179.2(4) . . ?
O2A6 Pd1 O1A1 85.1(4) . . ?
O1LA Pd1 La1 42.8(3) . . ?
O8LA Pd1 La1 43.3(3) . . ?
O2A6 Pd1 La1 137.4(3) . . ?
O1A1 Pd1 La1 137.1(3) . . ?
O1LA Pd2 O3C 177.6(4) . . ?
O1LA Pd2 O3A1 96.3(4) . . ?
O3C Pd2 O3A1 83.8(4) . . ?
O1LA Pd2 O3LA 85.7(4) . . ?
O3C Pd2 O3LA 94.4(4) . . ?
O3A1 Pd2 O3LA 176.2(4) . . ?
O1LA Pd2 Pd3 100.5(3) . . ?
O3C Pd2 Pd3 81.2(3) . . ?
O3A1 Pd2 Pd3 133.2(3) . . ?
O3LA Pd2 Pd3 43.1(3) . . ?
O1LA Pd2 La1 42.4(3) . . ?
O3C Pd2 La1 137.8(3) . . ?
O3A1 Pd2 La1 138.0(3) . . ?
O3LA Pd2 La1 43.5(3) . . ?
Pd3 Pd2 La1 65.95(3) . . ?
O4LA Pd3 O4C 177.7(4) . . ?
O4LA Pd3 O1A3 94.3(4) . . ?
O4C Pd3 O1A3 84.0(4) . . ?
O4LA Pd3 O3LA 86.6(4) . . ?
O4C Pd3 O3LA 95.0(4) . . ?
O1A3 Pd3 O3LA 175.7(4) . . ?
O4LA Pd3 Pd2 102.7(3) . . ?
O4C Pd3 Pd2 79.5(3) . . ?
O1A3 Pd3 Pd2 140.3(3) . . ?
O3LA Pd3 Pd2 43.2(3) . . ?
O4LA Pd3 Pd4 39.8(3) . . ?
O4C Pd3 Pd4 138.2(3) . . ?
O1A3 Pd3 Pd4 82.7(3) . . ?
O3LA Pd3 Pd4 95.3(3) . . ?
Pd2 Pd3 Pd4 131.89(5) . . ?
O4LA Pd3 La1 43.6(3) . . ?
O4C Pd3 La1 138.1(3) . . ?
O1A3 Pd3 La1 137.8(3) . . ?
O3LA Pd3 La1 43.5(3) . . ?
Pd2 Pd3 La1 65.98(3) . . ?
Pd4 Pd3 La1 66.25(3) . . ?
O4LA Pd4 O3A3 94.3(4) . . ?
O4LA Pd4 O5C 175.0(4) . . ?
O3A3 Pd4 O5C 87.4(5) . . ?
O4LA Pd4 O5LA 84.3(4) . . ?
O3A3 Pd4 O5LA 177.8(4) . . ?
O5C Pd4 O5LA 93.9(4) . . ?
O4LA Pd4 Pd3 39.9(3) . . ?
O3A3 Pd4 Pd3 89.9(3) . . ?
O5C Pd4 Pd3 135.5(3) . . ?
O5LA Pd4 Pd3 88.0(3) . . ?
O4LA Pd4 Pd5 104.6(3) . . ?
O3A3 Pd4 Pd5 144.1(3) . . ?
O5C Pd4 Pd5 76.5(3) . . ?
O5LA Pd4 Pd5 38.0(3) . . ?
Pd3 Pd4 Pd5 123.97(5) . . ?
O4LA Pd4 La1 42.5(3) . . ?
O3A3 Pd4 La1 135.2(3) . . ?
O5C Pd4 La1 136.8(3) . . ?
O5LA Pd4 La1 43.8(3) . . ?
Pd3 Pd4 La1 64.75(3) . . ?
Pd5 Pd4 La1 64.03(3) . . ?
O6LA Pd5 O6C 175.6(4) . . ?
O6LA Pd5 O5LA 84.5(4) . . ?
O6C Pd5 O5LA 94.7(5) . . ?
O6LA Pd5 O3A4 95.1(4) . . ?
O6C Pd5 O3A4 85.5(5) . . ?
O5LA Pd5 O3A4 175.9(4) . . ?
O6LA Pd5 Pd6 40.4(3) . . ?
O6C Pd5 Pd6 135.3(4) . . ?
O5LA Pd5 Pd6 87.3(3) . . ?
O3A4 Pd5 Pd6 89.7(3) . . ?
O6LA Pd5 Pd4 105.1(3) . . ?
O6C Pd5 Pd4 76.5(4) . . ?
O5LA Pd5 Pd4 38.1(3) . . ?
O3A4 Pd5 Pd4 145.4(3) . . ?
Pd6 Pd5 Pd4 123.70(4) . . ?
O6LA Pd5 La1 42.2(3) . . ?
O6C Pd5 La1 137.9(4) . . ?
O5LA Pd5 La1 44.3(3) . . ?
O3A4 Pd5 La1 136.2(3) . . ?
Pd6 Pd5 La1 64.50(3) . . ?
Pd4 Pd5 La1 64.67(3) . . ?
O6LA Pd6 O1A4 94.2(4) . . ?
O6LA Pd6 O7LA 87.1(4) . . ?
O1A4 Pd6 O7LA 177.1(4) . . ?
O6LA Pd6 O2C 176.3(4) . . ?
O1A4 Pd6 O2C 84.9(4) . . ?
O7LA Pd6 O2C 93.6(4) . . ?
O6LA Pd6 Pd7 103.9(3) . . ?
O1A4 Pd6 Pd7 138.8(3) . . ?
O7LA Pd6 Pd7 42.9(3) . . ?
O2C Pd6 Pd7 79.0(3) . . ?
O6LA Pd6 Pd5 39.9(3) . . ?
O1A4 Pd6 Pd5 83.9(3) . . ?
O7LA Pd6 Pd5 95.5(3) . . ?
O2C Pd6 Pd5 136.4(3) . . ?
Pd7 Pd6 Pd5 132.46(4) . . ?
O6LA Pd6 Na2 131.0(3) . . ?
O1A4 Pd6 Na2 49.5(3) . . ?
O7LA Pd6 Na2 127.9(3) . . ?
O2C Pd6 Na2 46.2(3) . . ?
Pd7 Pd6 Na2 125.16(14) . . ?
Pd5 Pd6 Na2 97.01(13) . . ?
O6LA Pd6 La1 43.6(3) . . ?
O1A4 Pd6 La1 137.6(3) . . ?
O7LA Pd6 La1 44.0(3) . . ?
O2C Pd6 La1 137.4(3) . . ?
Pd7 Pd6 La1 66.77(3) . . ?
Pd5 Pd6 La1 66.20(3) . . ?
Na2 Pd6 La1 156.52(14) . . ?
O8LA Pd7 O1A6 95.7(4) . . ?
O8LA Pd7 O7LA 85.2(4) . . ?
O1A6 Pd7 O7LA 177.1(4) . . ?
O8LA Pd7 O1C 177.5(4) . . ?
O1A6 Pd7 O1C 86.0(5) . . ?
O7LA Pd7 O1C 93.2(4) . . ?
O8LA Pd7 Pd6 99.0(3) . . ?
O1A6 Pd7 Pd6 133.5(3) . . ?
O7LA Pd7 Pd6 43.6(3) . . ?
O1C Pd7 Pd6 81.0(3) . . ?
O8LA Pd7 La1 42.6(3) . . ?
O1A6 Pd7 La1 137.8(3) . . ?
O7LA Pd7 La1 42.8(3) . . ?
O1C Pd7 La1 136.0(3) . . ?
Pd6 Pd7 La1 65.28(3) . . ?
O1LA Pd8 O1A2 177.9(4) . . ?
O1LA Pd8 O2LA 87.3(4) . . ?
O1A2 Pd8 O2LA 93.7(4) . . ?
O1LA Pd8 O2A1 94.6(4) . . ?
O1A2 Pd8 O2A1 84.3(4) . . ?
O2LA Pd8 O2A1 177.8(4) . . ?
O1LA Pd8 Na3 133.0(4) . . ?
O1A2 Pd8 Na3 45.3(4) . . ?
O2LA Pd8 Na3 133.0(4) . . ?
O2A1 Pd8 Na3 44.8(4) . . ?
O1LA Pd8 La1 44.6(3) . . ?
O1A2 Pd8 La1 136.2(3) . . ?
O2LA Pd8 La1 43.1(3) . . ?
O2A1 Pd8 La1 138.8(3) . . ?
Na3 Pd8 La1 156.3(3) . . ?
O9LA Pd9 O8LA 87.6(4) . . ?
O9LA Pd9 O1A5 92.5(4) . . ?
O8LA Pd9 O1A5 179.8(5) . . ?
O9LA Pd9 O3A6 178.8(4) . . ?
O8LA Pd9 O3A6 93.6(4) . . ?
O1A5 Pd9 O3A6 86.2(5) . . ?
O9LA Pd9 La1 43.1(3) . . ?
O8LA Pd9 La1 44.8(3) . . ?
O1A5 Pd9 La1 135.4(3) . . ?
O3A6 Pd9 La1 138.1(3) . . ?
O9LA Pd10 O6LA 85.2(4) . . ?
O9LA Pd10 O2A4 178.6(4) . . ?
O6LA Pd10 O2A4 96.2(4) . . ?
O9LA Pd10 O2A5 95.3(4) . . ?
O6LA Pd10 O2A5 178.3(4) . . ?
O2A4 Pd10 O2A5 83.3(4) . . ?
O9LA Pd10 Na1 134.0(3) . . ?
O6LA Pd10 Na1 133.8(3) . . ?
O2A4 Pd10 Na1 45.0(3) . . ?
O2A5 Pd10 Na1 46.6(3) . . ?
O9LA Pd10 La1 42.0(3) . . ?
O6LA Pd10 La1 43.5(3) . . ?
O2A4 Pd10 La1 139.4(3) . . ?
O2A5 Pd10 La1 137.2(3) . . ?
Na1 Pd10 La1 156.72(12) . . ?
O2LA Pd11 O3A2 94.8(4) . . ?
O2LA Pd11 O4LA 85.7(4) . . ?
O3A2 Pd11 O4LA 176.7(4) . . ?
O2LA Pd11 O2A3 179.1(4) . . ?
O3A2 Pd11 O2A3 84.3(4) . . ?
O4LA Pd11 O2A3 95.2(4) . . ?
O2LA Pd11 Na2 136.4(3) . 1_655 ?
O3A2 Pd11 Na2 44.3(3) . 1_655 ?
O4LA Pd11 Na2 134.1(3) . 1_655 ?
O2A3 Pd11 Na2 42.8(3) . 1_655 ?
O2LA Pd11 La1 41.4(3) . . ?
O3A2 Pd11 La1 136.2(3) . . ?
O4LA Pd11 La1 44.4(3) . . ?
O2A3 Pd11 La1 139.4(3) . . ?
Na2 Pd11 La1 167.88(13) 1_655 . ?
O2LA Pd12 O9LA 85.7(4) . . ?
O2LA Pd12 O3A5 179.1(4) . . ?
O9LA Pd12 O3A5 94.7(4) . . ?
O2LA Pd12 O2A2 95.9(4) . . ?
O9LA Pd12 O2A2 178.4(4) . . ?
O3A5 Pd12 O2A2 83.7(4) . . ?
O2LA Pd12 Na1 138.6(3) . 2_765 ?
O9LA Pd12 Na1 135.3(3) . 2_765 ?
O3A5 Pd12 Na1 41.1(3) . 2_765 ?
O2A2 Pd12 Na1 43.1(3) . 2_765 ?
O2LA Pd12 La1 42.8(3) . . ?
O9LA Pd12 La1 43.5(3) . . ?
O3A5 Pd12 La1 137.7(3) . . ?
O2A2 Pd12 La1 138.1(3) . . ?
Na1 Pd12 La1 170.28(12) 2_765 . ?
Pd2 O1LA Pd1 115.6(5) . . ?
Pd2 O1LA Pd8 114.3(5) . . ?
Pd1 O1LA Pd8 111.5(5) . . ?
Pd2 O1LA La1 106.3(4) . . ?
Pd1 O1LA La1 105.4(4) . . ?
Pd8 O1LA La1 102.2(4) . . ?
Pd11 O2LA Pd12 123.1(5) . . ?
Pd11 O2LA Pd8 108.6(4) . . ?
Pd12 O2LA Pd8 109.0(4) . . ?
Pd11 O2LA La1 106.6(4) . . ?
Pd12 O2LA La1 104.3(4) . . ?
Pd8 O2LA La1 103.3(4) . . ?
Pd3 O3LA Pd2 93.7(4) . . ?
Pd3 O3LA La1 103.7(4) . . ?
Pd2 O3LA La1 103.6(4) . . ?
Pd4 O4LA Pd3 100.3(4) . . ?
Pd4 O4LA Pd11 129.0(5) . . ?
Pd3 O4LA Pd11 111.7(5) . . ?
Pd4 O4LA La1 106.6(4) . . ?
Pd3 O4LA La1 104.7(4) . . ?
Pd11 O4LA La1 102.4(4) . . ?
Pd5 O5LA Pd4 103.8(4) . . ?
Pd5 O5LA La1 103.3(4) . . ?
Pd4 O5LA La1 104.0(4) . . ?
Pd5 O6LA Pd6 99.7(4) . . ?
Pd5 O6LA Pd10 128.3(5) . . ?
Pd6 O6LA Pd10 112.0(5) . . ?
Pd5 O6LA La1 106.7(4) . . ?
Pd6 O6LA La1 103.9(4) . . ?
Pd10 O6LA La1 103.9(4) . . ?
Pd7 O7LA Pd6 93.5(4) . . ?
Pd7 O7LA La1 105.0(4) . . ?
Pd6 O7LA La1 102.6(4) . . ?
Pd7 O8LA Pd9 115.3(5) . . ?
Pd7 O8LA Pd1 115.9(4) . . ?
Pd9 O8LA Pd1 111.1(4) . . ?
Pd7 O8LA La1 106.1(4) . . ?
Pd9 O8LA La1 102.1(4) . . ?
Pd1 O8LA La1 104.5(4) . . ?
Pd9 O9LA Pd10 109.9(4) . . ?
Pd9 O9LA Pd12 112.3(4) . . ?
Pd10 O9LA Pd12 120.0(4) . . ?
Pd9 O9LA La1 104.2(4) . . ?
Pd10 O9LA La1 105.8(4) . . ?
Pd12 O9LA La1 102.9(4) . . ?
As1 O1A1 Pd1 116.2(5) . . ?
As1 O2A1 Pd8 115.8(6) . . ?
As1 O2A1 Na3 143.4(7) . . ?
Pd8 O2A1 Na3 98.2(6) . . ?
As1 O3A1 Pd2 115.4(5) . . ?
As2 O1A2 Pd8 118.2(6) . . ?
As2 O1A2 Na3 140.6(7) . . ?
Pd8 O1A2 Na3 98.6(6) . . ?
As2 O2A2 Pd12 113.5(5) . . ?
As2 O2A2 Na1 143.4(6) . 2_765 ?
Pd12 O2A2 Na1 100.9(4) . 2_765 ?
As2 O3A2 Pd11 117.6(6) . . ?
As2 O3A2 Na2 138.9(6) . 1_655 ?
Pd11 O3A2 Na2 99.7(4) . 1_655 ?
As3 O1A3 Pd3 117.2(6) . . ?
As3 O2A3 Pd11 115.5(6) . . ?
As3 O2A3 Na2 135.1(6) . 1_655 ?
Pd11 O2A3 Na2 101.1(5) . 1_655 ?
As3 O3A3 Pd4 115.3(6) . . ?
As4 O1A4 Pd6 118.6(6) . . ?
As4 O1A4 Na2 128.5(6) . . ?
Pd6 O1A4 Na2 92.6(4) . . ?
As4 O2A4 Pd10 114.5(5) . . ?
As4 O2A4 Na1 143.5(6) . . ?
Pd10 O2A4 Na1 97.7(4) . . ?
As4 O3A4 Pd5 114.7(6) . . ?
As5 O1A5 Pd9 119.5(6) . . ?
As5 O2A5 Pd10 115.4(6) . . ?
As5 O2A5 Na1 140.1(6) . . ?
Pd10 O2A5 Na1 95.8(4) . . ?
As5 O3A5 Pd12 115.5(6) . . ?
As5 O3A5 Na1 140.5(6) . 2_765 ?
Pd12 O3A5 Na1 103.6(5) . 2_765 ?
As6 O1A6 Pd7 116.0(6) . . ?
As6 O2A6 Pd1 116.4(6) . . ?
As6 O3A6 Pd9 117.3(6) . . ?
C39 O1C Pd7 126.7(10) . . ?
C39 O2C Pd6 127.0(10) . . ?
C39 O2C Na2 138.0(10) . . ?
Pd6 O2C Na2 94.9(5) . . ?
C37 O3C Pd2 125.8(10) . . ?
C37 O4C Pd3 125.4(10) . . ?
C41 O5C Pd4 132.0(11) . . ?
C41 O6C Pd5 132.8(11) . . ?
O2A1 As1 O1A1 110.0(5) . . ?
O2A1 As1 O3A1 111.8(5) . . ?
O1A1 As1 O3A1 111.0(5) . . ?
O2A1 As1 C1 109.4(5) . . ?
O1A1 As1 C1 107.6(5) . . ?
O3A1 As1 C1 106.9(5) . . ?
C2 C1 C6 120.0 . . ?
C2 C1 As1 119.0(7) . . ?
C6 C1 As1 121.0(7) . . ?
C1 C2 C3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C5 C6 C1 120.0 . . ?
O1A2 As2 O2A2 111.5(5) . . ?
O1A2 As2 O3A2 111.8(5) . . ?
O2A2 As2 O3A2 109.9(5) . . ?
O1A2 As2 C7 104.4(5) . . ?
O2A2 As2 C7 109.6(5) . . ?
O3A2 As2 C7 109.5(5) . . ?
C7 C8 C9 120.0 . . ?
C12 C7 C8 120.0 . . ?
C12 C7 As2 121.0(6) . . ?
C8 C7 As2 119.0(6) . . ?
C11 C12 C7 120.0 . . ?
C10 C11 C12 120.0 . . ?
C11 C10 C9 120.0 . . ?
C10 C9 C8 120.0 . . ?
O2A3 As3 O3A3 112.0(5) . . ?
O2A3 As3 O1A3 110.6(5) . . ?
O3A3 As3 O1A3 111.0(5) . . ?
O2A3 As3 C13 107.4(6) . . ?
O3A3 As3 C13 106.5(6) . . ?
O1A3 As3 C13 109.2(5) . . ?
C14 C13 C18 120.0 . . ?
C14 C13 As3 120.9(7) . . ?
C18 C13 As3 119.1(7) . . ?
C15 C14 C13 120.0 . . ?
C16 C15 C14 120.0 . . ?
C15 C16 C17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C17 C18 C13 120.0 . . ?
O2A4 As4 O1A4 112.7(5) . . ?
O2A4 As4 O3A4 109.1(5) . . ?
O1A4 As4 O3A4 111.1(5) . . ?
O2A4 As4 C19 110.9(5) . . ?
O1A4 As4 C19 105.9(5) . . ?
O3A4 As4 C19 107.0(6) . . ?
C24 C19 C20 120.0 . . ?
C24 C19 As4 119.1(7) . . ?
C20 C19 As4 120.6(7) . . ?
C19 C24 C23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C21 C22 C23 120.0 . . ?
C22 C21 C20 120.0 . . ?
C21 C20 C19 120.0 . . ?
O2A5 As5 O1A5 112.8(5) . . ?
O2A5 As5 O3A5 109.4(5) . . ?
O1A5 As5 O3A5 112.1(5) . . ?
O2A5 As5 C25 110.0(5) . . ?
O1A5 As5 C25 103.4(5) . . ?
O3A5 As5 C25 109.0(5) . . ?
C25 C30 C29 120.0 . . ?
C26 C25 C30 120.0 . . ?
C26 C25 As5 119.1(6) . . ?
C30 C25 As5 120.8(6) . . ?
C25 C26 C27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C27 C28 C29 120.0 . . ?
C28 C29 C30 120.0 . . ?
O2A6 As6 O1A6 111.5(6) . . ?
O2A6 As6 O3A6 111.2(6) . . ?
O1A6 As6 O3A6 109.2(6) . . ?
O2A6 As6 C31 106.8(5) . . ?
O1A6 As6 C31 108.8(6) . . ?
O3A6 As6 C31 109.2(6) . . ?
C36 C31 C32 120.0 . . ?
C36 C31 As6 119.5(7) . . ?
C32 C31 As6 120.4(7) . . ?
C31 C36 C35 120.0 . . ?
C34 C35 C36 120.0 . . ?
C33 C34 C35 120.0 . . ?
C34 C33 C32 120.0 . . ?
C33 C32 C31 120.0 . . ?
O3C C37 O4C 128.0(14) . . ?
O3C C37 C38 117.5(13) . . ?
O4C C37 C38 114.6(13) . . ?
O1C C39 O2C 125.9(15) . . ?
O1C C39 C40 118.3(14) . . ?
O2C C39 C40 115.8(14) . . ?
O5C C41 O6C 122.2(15) . . ?
O5C C41 C42 120.3(17) . . ?
O6C C41 C42 117.1(17) . . ?
O3A5 Na1 O2A2 71.1(4) 2_765 2_765 ?
O3A5 Na1 O2A4 143.1(5) 2_765 . ?
O2A2 Na1 O2A4 145.8(5) 2_765 . ?
O3A5 Na1 O9W 82.9(6) 2_765 . ?
O2A2 Na1 O9W 101.7(6) 2_765 . ?
O2A4 Na1 O9W 87.3(6) . . ?
O3A5 Na1 O2A5 96.3(4) 2_765 . ?
O2A2 Na1 O2A5 117.2(4) 2_765 . ?
O2A4 Na1 O2A5 68.8(4) . . ?
O9W Na1 O2A5 138.6(6) . . ?
O3A5 Na1 Pd10 112.0(3) 2_765 . ?
O2A2 Na1 Pd10 153.7(4) 2_765 . ?
O2A4 Na1 Pd10 37.3(3) . . ?
O9W Na1 Pd10 104.6(5) . . ?
O2A5 Na1 Pd10 37.7(3) . . ?
O3A5 Na1 Pd12 35.4(3) 2_765 2_765 ?
O2A2 Na1 Pd12 36.0(3) 2_765 2_765 ?
O2A4 Na1 Pd12 175.5(4) . 2_765 ?
O9W Na1 Pd12 96.3(5) . 2_765 ?
O2A5 Na1 Pd12 106.7(3) . 2_765 ?
Pd10 Na1 Pd12 138.47(19) . 2_765 ?
O2A3 Na2 O7W 98.7(6) 1_455 . ?
O2A3 Na2 O2C 133.0(5) 1_455 . ?
O7W Na2 O2C 118.0(6) . . ?
O2A3 Na2 O3A2 69.9(4) 1_455 1_455 ?
O7W Na2 O3A2 146.8(6) . 1_455 ?
O2C Na2 O3A2 89.9(4) . 1_455 ?
O2A3 Na2 O1A4 150.3(5) 1_455 . ?
O7W Na2 O1A4 81.4(6) . . ?
O2C Na2 O1A4 68.9(4) . . ?
O3A2 Na2 O1A4 93.8(4) 1_455 . ?
O2A3 Na2 O13W 91.5(6) 1_455 . ?
O7W Na2 O13W 75.0(7) . . ?
O2C Na2 O13W 72.5(6) . . ?
O3A2 Na2 O13W 134.3(7) 1_455 . ?
O1A4 Na2 O13W 116.7(6) . . ?
O2A3 Na2 Pd6 171.1(4) 1_455 . ?
O7W Na2 Pd6 85.7(5) . . ?
O2C Na2 Pd6 39.0(3) . . ?
O3A2 Na2 Pd6 110.4(3) 1_455 . ?
O1A4 Na2 Pd6 37.9(3) . . ?
O13W Na2 Pd6 82.0(6) . . ?
O2A3 Na2 Pd11 36.1(3) 1_455 1_455 ?
O7W Na2 Pd11 133.0(5) . 1_455 ?
O2C Na2 Pd11 107.3(4) . 1_455 ?
O3A2 Na2 Pd11 36.0(3) 1_455 1_455 ?
O1A4 Na2 Pd11 129.2(4) . 1_455 ?
O13W Na2 Pd11 109.0(6) . 1_455 ?
Pd6 Na2 Pd11 141.1(2) . 1_455 ?
O2A1 Na3 O1A2 68.8(6) . . ?
O2A1 Na3 O14W 165.1(12) . . ?
O1A2 Na3 O14W 96.6(10) . . ?
O2A1 Na3 Pd8 37.0(4) . . ?
O1A2 Na3 Pd8 36.1(4) . . ?
O14W Na3 Pd8 128.3(10) . . ?
O2A1 Na3 Na5 132.4(8) . . ?
O1A2 Na3 Na5 94.7(7) . . ?
O14W Na3 Na5 42.7(9) . . ?
Pd8 Na3 Na5 106.1(6) . . ?
Na4 Na4 Na5 81.6(14) 2_755 . ?
Na4 Na4 Na5 61.7(12) 2_755 2_755 ?
Na5 Na4 Na5 143.4(8) . 2_755 ?
O14W Na5 O9W 112.1(12) . 2_765 ?
O14W Na5 Na4 154.5(12) . . ?
O9W Na5 Na4 93.3(9) 2_765 . ?
O14W Na5 Na3 43.1(9) . . ?
O9W Na5 Na3 120.5(9) 2_765 . ?
Na4 Na5 Na3 121.3(8) . . ?
O14W Na5 Na4 124.5(11) . 2_755 ?
O9W Na5 Na4 117.3(9) 2_765 2_755 ?
Na4 Na5 Na4 36.6(8) . 2_755 ?
Na3 Na5 Na4 118.7(7) . 2_755 ?
Na1 O9W Na5 132.0(10) . 2_765 ?
Na5 O14W Na3 94.2(13) . . ?

_refine_diff_density_max         5.252
_refine_diff_density_min         -4.815
_refine_diff_density_rms         0.695

_shelxl_version_number           2014/6

####################################################################### 
# 
# 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_LZG_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1555481'
_audit_update_record             
;
2017-06-10 deposited with the CCDC.
2017-09-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H100 As8 In Na5 O62 Pd12'
_chemical_formula_weight         3775.20

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'
As As 0.0499 2.0058 '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'
In In -0.7276 1.3100 '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'

_space_group_crystal_system      tetragonal
_space_group_IT_number           87
_space_group_name_H-M_alt        'I 4/m'
_space_group_name_Hall           '-I 4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   15.7992(6)
_cell_length_b                   15.7992(6)
_cell_length_c                   24.954(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6228.9(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9741
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      28.29

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            RED
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_F_000             3608
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.230
_exptl_absorpt_coefficient_mu    4.075
_shelx_estimated_absorpt_T_min   0.441
_shelx_estimated_absorpt_T_max   0.454
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.391
_exptl_absorpt_correction_T_max  0.392
_exptl_absorpt_process_details   ?
_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 X8'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            65892
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.525
_diffrn_reflns_theta_max         28.317
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3971
_reflns_number_gt                3638
_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.
 
 _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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.1540P)²+91.4423P] 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         3971
_refine_ls_number_parameters     87
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0552
_refine_ls_wR_factor_ref         0.2143
_refine_ls_wR_factor_gt          0.1960
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.012
_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_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
In1 In 0.5000 0.5000 0.0000 0.0197(3) Uani 1 8 d S T P . .
Pd1 Pd 0.30171(4) 0.42581(4) 0.0000 0.0226(2) Uani 1 2 d S T P . .
Pd2 Pd 0.43811(3) 0.36402(3) 0.09486(2) 0.02433(19) Uani 1 1 d . . . . .
As1 As 0.24633(4) 0.40602(4) 0.12121(3) 0.0283(2) Uani 1 1 d . . . . .
C1 C 0.1559(4) 0.3694(4) 0.1654(3) 0.0341(13) Uiso 1 1 d . . . . .
C2 C 0.0766(6) 0.4006(6) 0.1577(4) 0.055(2) Uiso 1 1 d . . . . .
H2 H 0.0656 0.4397 0.1296 0.065 Uiso 1 1 calc R U . . .
C3 C 0.0112(8) 0.3741(8) 0.1920(5) 0.071(3) Uiso 1 1 d . . . . .
H3 H -0.0447 0.3944 0.1864 0.085 Uiso 1 1 calc R U . . .
C4 C 0.0268(7) 0.3200(7) 0.2327(4) 0.059(2) Uiso 1 1 d . . . . .
H4 H -0.0185 0.3024 0.2552 0.071 Uiso 1 1 calc R U . . .
C5 C 0.1072(6) 0.2898(6) 0.2421(4) 0.0526(19) Uiso 1 1 d . . . . .
H5 H 0.1182 0.2527 0.2713 0.063 Uiso 1 1 calc R U . . .
C6 C 0.1721(5) 0.3151(5) 0.2079(3) 0.0455(17) Uiso 1 1 d . . . . .
H6 H 0.2279 0.2949 0.2136 0.055 Uiso 1 1 calc R U . . .
O1A O 0.3303(3) 0.3447(3) 0.1376(2) 0.0385(11) Uiso 1 1 d . . . . .
O2A O 0.2665(3) 0.5086(3) 0.1356(2) 0.0403(11) Uiso 1 1 d . . . . .
O3A O 0.2159(3) 0.3933(3) 0.0568(2) 0.0340(10) Uiso 1 1 d . . . . .
O1IN O 0.3891(3) 0.4587(2) -0.05307(16) 0.0230(8) Uiso 1 1 d . . . . .
O1W O 0.3975(5) 0.4249(5) 0.2331(3) 0.0590(16) Uiso 1 1 d . . . . .
O3W O 0.1717(8) 0.1012(8) 0.1632(5) 0.053(3) Uiso 0.5 1 d . . P . .
O2W O 0.3042(14) 0.1737(14) 0.1071(9) 0.042(4) Uiso 0.25 1 d . . P . .
O4W O 0.0479(14) 0.1726(14) 0.1044(9) 0.042(4) Uiso 0.25 1 d . . P . .
O5W O 0.445(2) 0.103(2) 0.0543(15) 0.076(9) Uiso 0.25 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
In1 O1IN 2.291(4) . ?
In1 O1IN 2.291(4) 9_665 ?
In1 O1IN 2.291(4) 10_565 ?
In1 O1IN 2.291(4) 2_655 ?
In1 O1IN 2.291(4) 11 ?
In1 O1IN 2.291(4) 3_665 ?
In1 O1IN 2.291(4) 12_655 ?
In1 O1IN 2.291(4) 4_565 ?
Pd1 O1IN 1.983(4) . ?
Pd1 O1IN 1.983(4) 11 ?
Pd1 O3A 2.027(5) . ?
Pd1 O3A 2.027(5) 11 ?
Pd2 O1IN 1.976(4) 12_655 ?
Pd2 O1IN 1.981(4) 11 ?
Pd2 O2A 2.028(5) 2_655 ?
Pd2 O1A 2.033(5) . ?
As1 O3A 1.689(5) . ?
As1 O2A 1.691(5) . ?
As1 O1A 1.693(5) . ?
As1 C1 1.895(7) . ?
C1 C2 1.360(12) . ?
C1 C6 1.388(11) . ?
C2 C3 1.406(16) . ?
C2 H2 0.9500 . ?
C3 C4 1.350(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(14) . ?
C4 H4 0.9500 . ?
C5 C6 1.392(13) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
O2A Pd2 2.027(5) 4_565 ?
O1IN Pd2 1.976(4) 10_565 ?
O1IN Pd2 1.981(4) 11 ?

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
O1IN In1 O1IN 180.0 . 9_665 ?
O1IN In1 O1IN 109.53(10) . 10_565 ?
O1IN In1 O1IN 70.48(10) 9_665 10_565 ?
O1IN In1 O1IN 70.47(10) . 2_655 ?
O1IN In1 O1IN 109.52(10) 9_665 2_655 ?
O1IN In1 O1IN 180.00(17) 10_565 2_655 ?
O1IN In1 O1IN 70.6(2) . 11 ?
O1IN In1 O1IN 109.4(2) 9_665 11 ?
O1IN In1 O1IN 70.48(10) 10_565 11 ?
O1IN In1 O1IN 109.52(10) 2_655 11 ?
O1IN In1 O1IN 109.4(2) . 3_665 ?
O1IN In1 O1IN 70.6(2) 9_665 3_665 ?
O1IN In1 O1IN 109.52(10) 10_565 3_665 ?
O1IN In1 O1IN 70.48(10) 2_655 3_665 ?
O1IN In1 O1IN 180.0(2) 11 3_665 ?
O1IN In1 O1IN 109.52(10) . 12_655 ?
O1IN In1 O1IN 70.48(10) 9_665 12_655 ?
O1IN In1 O1IN 109.4(2) 10_565 12_655 ?
O1IN In1 O1IN 70.6(2) 2_655 12_655 ?
O1IN In1 O1IN 70.48(10) 11 12_655 ?
O1IN In1 O1IN 109.52(10) 3_665 12_655 ?
O1IN In1 O1IN 70.48(10) . 4_565 ?
O1IN In1 O1IN 109.52(10) 9_665 4_565 ?
O1IN In1 O1IN 70.6(2) 10_565 4_565 ?
O1IN In1 O1IN 109.4(2) 2_655 4_565 ?
O1IN In1 O1IN 109.52(10) 11 4_565 ?
O1IN In1 O1IN 70.48(10) 3_665 4_565 ?
O1IN In1 O1IN 180.00(17) 12_655 4_565 ?
O1IN Pd1 O1IN 83.8(2) . 11 ?
O1IN Pd1 O3A 177.53(18) . . ?
O1IN Pd1 O3A 93.72(19) 11 . ?
O1IN Pd1 O3A 93.72(19) . 11 ?
O1IN Pd1 O3A 177.53(18) 11 11 ?
O3A Pd1 O3A 88.8(3) . 11 ?
O1IN Pd2 O1IN 83.9(2) 12_655 11 ?
O1IN Pd2 O2A 94.3(2) 12_655 2_655 ?
O1IN Pd2 O2A 178.0(2) 11 2_655 ?
O1IN Pd2 O1A 177.00(19) 12_655 . ?
O1IN Pd2 O1A 93.6(2) 11 . ?
O2A Pd2 O1A 88.3(2) 2_655 . ?
O3A As1 O2A 111.6(3) . . ?
O3A As1 O1A 112.6(3) . . ?
O2A As1 O1A 110.5(3) . . ?
O3A As1 C1 107.6(3) . . ?
O2A As1 C1 108.2(3) . . ?
O1A As1 C1 106.0(3) . . ?
C2 C1 C6 120.1(8) . . ?
C2 C1 As1 120.1(6) . . ?
C6 C1 As1 119.6(6) . . ?
C1 C2 C3 118.9(9) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 120.8(12) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 121.0(11) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C4 C5 C6 118.3(9) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
C1 C6 C5 120.7(8) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
As1 O1A Pd2 116.3(3) . . ?
As1 O2A Pd2 115.8(3) . 4_565 ?
As1 O3A Pd1 116.4(3) . . ?
Pd2 O1IN Pd2 115.1(2) 10_565 11 ?
Pd2 O1IN Pd1 115.39(19) 10_565 . ?
Pd2 O1IN Pd1 115.22(19) 11 . ?
Pd2 O1IN In1 102.92(17) 10_565 . ?
Pd2 O1IN In1 102.76(17) 11 . ?
Pd1 O1IN In1 102.78(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3A As1 C1 C2 -52.2(7) . . . . ?
O2A As1 C1 C2 68.6(7) . . . . ?
O1A As1 C1 C2 -173.0(7) . . . . ?
O3A As1 C1 C6 132.1(6) . . . . ?
O2A As1 C1 C6 -107.1(6) . . . . ?
O1A As1 C1 C6 11.4(7) . . . . ?
C6 C1 C2 C3 -2.7(13) . . . . ?
As1 C1 C2 C3 -178.3(8) . . . . ?
C1 C2 C3 C4 1.5(16) . . . . ?
C2 C3 C4 C5 0.6(17) . . . . ?
C3 C4 C5 C6 -1.4(16) . . . . ?
C2 C1 C6 C5 1.9(13) . . . . ?
As1 C1 C6 C5 177.6(7) . . . . ?
C4 C5 C6 C1 0.2(14) . . . . ?
O3A As1 O1A Pd2 59.9(4) . . . . ?
O2A As1 O1A Pd2 -65.7(4) . . . . ?
C1 As1 O1A Pd2 177.4(3) . . . . ?
O3A As1 O2A Pd2 -63.6(4) . . . 4_565 ?
O1A As1 O2A Pd2 62.5(4) . . . 4_565 ?
C1 As1 O2A Pd2 178.1(3) . . . 4_565 ?
O2A As1 O3A Pd1 62.5(3) . . . . ?
O1A As1 O3A Pd1 -62.5(3) . . . . ?
C1 As1 O3A Pd1 -179.0(3) . . . . ?

_refine_diff_density_max         3.139
_refine_diff_density_min         -2.612
_refine_diff_density_rms         0.657

_shelxl_version_number           2014/6

