#------------------------------------------------------------------------------
#$Date: 2017-09-26 04:55:58 +0300 (Tue, 26 Sep 2017) $
#$Revision: 201289 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/73/1547345.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1547345
loop_
_publ_author_name
'Lang, Zhongling'
'Yang, Peng'
'Lin, Zhengguo'
'Yan, Li-Kai'
'Li, Ming-Xing'
'Carbó, Jorge J.'
'Kortz, Ulrich'
'Poblet, Josep M.'
_publ_section_title
;
 Size and Charge Effect of Guest Cations in Formation of
 Polyoxopalladates: A Theoretical and Experimental Study
;
_journal_name_full               'Chem. Sci.'
_journal_paper_doi               10.1039/C7SC03441E
_journal_year                    2017
_chemical_formula_sum            'C42 H122 As6 La Na3 O73 Pd12'
_chemical_formula_weight         3729.59
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2017-06-10 deposited with the CCDC.
2017-09-25 downloaded from the CCDC.
;
_cell_angle_alpha                103.266(3)
_cell_angle_beta                 92.094(3)
_cell_angle_gamma                97.633(4)
_cell_formula_units_Z            1
_cell_length_a                   13.0985(9)
_cell_length_b                   16.2291(12)
_cell_length_c                   22.9839(14)
_cell_measurement_reflns_used    9467
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.09
_cell_measurement_theta_min      2.83
_cell_volume                     4701.9(6)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD x8'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0608
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            160109
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.333
_diffrn_reflns_theta_min         1.303
_exptl_absorpt_coefficient_mu    2.453
_exptl_absorpt_correction_T_max  0.692
_exptl_absorpt_correction_T_min  0.618
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_description       block
_exptl_crystal_F_000             1798
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_refine_diff_density_max         5.252
_refine_diff_density_min         -4.815
_refine_diff_density_rms         0.695
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         23219
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.1092
_refine_ls_R_factor_gt           0.0845
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1200P)²+195.7335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2376
_refine_ls_wR_factor_ref         0.2626
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18151
_reflns_number_total             23219
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7sc03441e2.cif
_cod_data_source_block           try
_cod_database_code               1547345
_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.
;
_shelx_estimated_absorpt_t_min   0.640
_shelx_estimated_absorpt_t_max   0.710
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
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
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'
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
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) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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
