#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:59:43 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179874 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/70/7017074.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_7017074
loop_
_publ_author_name
'Wei, Qiao-Hua'
'Lei, Yan-Fang'
'Duan, Ya-Nan'
'Xiao, Fan-Nan'
'Li, Mei-Jin'
'Chen, Guo-Nan'
_publ_section_title
;
 Mono- and dinuclear Ru(ii) complexes of
 1,4-bis(3-(2-pyridyl)pyrazol-1-ylmethyl)benzene): Synthesis, structure,
 photophysical properties and electrochemiluminescent determination of
 diuretic furosemide.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11636
_journal_page_last               11642
_journal_paper_doi               10.1039/c1dt11163a
_journal_volume                  40
_journal_year                    2011
_chemical_absolute_configuration rm
_chemical_formula_sum            'C60 H171 Cl3 Cu8 La2 N12 O55 Pd6 S12'
_chemical_formula_weight         3856.70
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.245(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.319(3)
_cell_length_b                   20.976(4)
_cell_length_c                   23.667(5)
_cell_measurement_reflns_used    31105
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     7337(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0747
_diffrn_reflns_av_sigmaI/netI    0.1126
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            58926
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    2.716
_exptl_absorpt_correction_T_max  0.764
_exptl_absorpt_correction_T_min  0.282
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            dark-brown
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             3840
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         4.065
_refine_diff_density_min         -4.537
_refine_diff_density_rms         0.261
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1342
_refine_ls_number_reflns         30709
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1207
_refine_ls_R_factor_gt           0.0894
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1702P)²+10.1727P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2380
_refine_ls_wR_factor_ref         0.2701
_reflns_number_gt                21782
_reflns_number_total             30709
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt11163a.txt
_cod_data_source_block           La2[6]Cl.HCl
_cod_original_cell_volume        7337(2)
_cod_database_code               7017074
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.00322(3) 0.21267(3) 0.96999(2) 0.09643(18) Uani 1 1 d . . .
La2 La 0.29078(3) 0.043512(15) 0.744708(16) 0.06681(11) Uani 1 1 d . . .
Pd1 Pd 0.115346(19) 0.401538(14) 0.801766(14) 0.02873(8) Uani 1 1 d . . .
Pd2 Pd 0.541724(18) 0.360838(13) 0.815029(13) 0.02385(7) Uani 1 1 d . . .
Pd3 Pd 0.41268(2) 0.574853(16) 0.996144(13) 0.02990(8) Uani 1 1 d . . .
Pd4 Pd 0.151435(19) 0.718702(14) 0.759591(15) 0.02909(8) Uani 1 1 d . . .
Pd5 Pd 0.27974(2) 0.50645(2) 0.588158(14) 0.04196(10) Uani 1 1 d . . .
Pd6 Pd 0.59142(2) 0.678106(15) 0.778650(18) 0.04049(10) Uani 1 1 d . . .
Cu1 Cu 0.21280(3) 0.56942(2) 0.85679(2) 0.03025(13) Uani 1 1 d . . .
Cu2 Cu 0.17681(3) 0.54059(2) 0.71475(2) 0.03117(13) Uani 1 1 d . . .
Cu3 Cu 0.29705(4) 0.38287(3) 0.71599(2) 0.03571(15) Uani 1 1 d . . .
Cu4 Cu 0.36407(3) 0.44612(2) 0.87261(2) 0.02834(13) Uani 1 1 d . . .
Cu5 Cu 0.38808(3) 0.65750(3) 0.84509(2) 0.03380(14) Uani 1 1 d . . .
Cu6 Cu 0.34415(4) 0.64613(3) 0.69945(3) 0.0539(2) Uani 1 1 d . . .
Cu7 Cu 0.47178(3) 0.51517(2) 0.72789(2) 0.03169(14) Uani 1 1 d . . .
Cu8 Cu 0.53222(3) 0.53830(2) 0.87237(2) 0.03095(13) Uani 1 1 d . . .
Cl1 Cl 0.35192(6) 0.54284(5) 0.79200(4) 0.0255(2) Uani 1 1 d . . .
Cl2 Cl 0.26543(9) 0.28064(6) 0.66901(6) 0.0512(4) Uani 1 1 d . . .
S1 S 0.21295(6) 0.46242(5) 0.87023(4) 0.0255(2) Uani 1 1 d . . .
S2 S 0.16252(7) 0.43258(5) 0.72148(4) 0.0290(3) Uani 1 1 d . . .
S3 S 0.39104(6) 0.36918(4) 0.81099(4) 0.0234(2) Uani 1 1 d . . .
S4 S 0.56765(6) 0.46735(4) 0.80837(4) 0.0233(2) Uani 1 1 d . . .
S5 S 0.46939(6) 0.50153(5) 0.94338(4) 0.0250(2) Uani 1 1 d . . .
S6 S 0.32273(6) 0.62723(5) 0.91781(4) 0.0288(3) Uani 1 1 d . . .
S7 S 0.12833(6) 0.61262(4) 0.77264(4) 0.0249(2) Uani 1 1 d . . .
S8 S 0.30284(6) 0.71086(5) 0.76463(5) 0.0312(3) Uani 1 1 d . . .
S9 S 0.37205(7) 0.45033(5) 0.66389(4) 0.0315(3) Uani 1 1 d . . .
S10 S 0.23539(7) 0.58322(5) 0.64285(4) 0.0321(3) Uani 1 1 d . . .
S11 S 0.54163(6) 0.64528(5) 0.85657(5) 0.0291(3) Uani 1 1 d . . .
S12 S 0.48988(7) 0.62175(5) 0.70877(5) 0.0338(3) Uani 1 1 d . . .
O1 O 0.0434(3) 0.3275(3) 0.9661(2) 0.0989(15) Uani 1 1 d U . .
O2 O 0.0437(2) 0.4189(2) 1.01092(16) 0.0718(13) Uani 1 1 d . . .
O3 O -0.1066(3) 0.2981(2) 0.6562(2) 0.0928(16) Uani 1 1 d . . .
O4 O -0.0146(3) 0.2726(2) 0.5982(2) 0.0988(15) Uani 1 1 d . . .
O5 O 0.4786(2) 0.15219(14) 0.86859(15) 0.0471(10) Uani 1 1 d . . .
O6 O 0.3572(3) 0.14070(15) 0.79461(19) 0.0619(13) Uani 1 1 d . . .
O7 O 0.8526(2) 0.3559(2) 0.81439(17) 0.0657(12) Uani 1 1 d . . .
O8 O 0.8878(2) 0.4376(2) 0.8756(2) 0.0733(16) Uani 1 1 d . . .
O9 O 0.6388(2) 0.49774(17) 1.15553(14) 0.0482(10) Uani 1 1 d . . .
O10 O 0.7317(3) 0.4810(4) 1.10176(17) 0.107(2) Uani 1 1 d . . .
O11 O 0.3060(2) 0.74634(18) 1.08993(15) 0.0547(11) Uani 1 1 d . . .
O12 O 0.1649(2) 0.7394(2) 1.03936(18) 0.0682(13) Uani 1 1 d . . .
O13 O -0.16313(19) 0.71436(19) 0.75771(18) 0.0587(12) Uani 1 1 d . . .
O14 O -0.1339(2) 0.6620(2) 0.8387(2) 0.0701(14) Uani 1 1 d . . .
O15 O 0.2151(3) 0.93643(17) 0.7548(2) 0.0725(15) Uani 1 1 d . . .
O16 O 0.3149(3) 0.92785(19) 0.7038(2) 0.0818(14) Uani 1 1 d . . .
O17 O 0.3990(4) 0.3591(3) 0.47988(19) 0.122(2) Uani 1 1 d . . .
O18 O 0.4071(4) 0.2806(2) 0.53607(19) 0.1075(17) Uani 1 1 d . . .
O19 O 0.0747(4) 0.6253(3) 0.4399(2) 0.100(2) Uani 1 1 d . . .
O20 O 0.1332(3) 0.7191(3) 0.4751(2) 0.0920(18) Uani 1 1 d . . .
O21 O 0.8076(3) 0.7836(2) 0.9263(2) 0.1000(18) Uani 1 1 d DU . .
O22 O 0.8227(4) 0.7068(2) 0.9873(2) 0.112(2) Uani 1 1 d DU . .
O23A O 0.6866(5) 0.7543(4) 0.6224(3) 0.061(2) Uiso 0.50 1 d P A 1
O24A O 0.5372(6) 0.7815(4) 0.5783(4) 0.067(2) Uiso 0.50 1 d P A 1
H110 H 0.5579 0.8029 0.5548 0.101 Uiso 0.50 1 calc PR A 1
O23B O 0.6857(4) 0.7270(3) 0.6039(3) 0.0459(16) Uiso 0.50 1 d P B 2
O24B O 0.5452(5) 0.7227(4) 0.5431(3) 0.0548(18) Uiso 0.50 1 d P B 2
H111 H 0.5716 0.7270 0.5165 0.082 Uiso 0.50 1 calc PR B 2
N1 N 0.0629(2) 0.37534(16) 0.87005(17) 0.0351(10) Uani 1 1 d . . .
H1 H 0.0010 0.3730 0.8562 0.042 Uiso 1 1 calc R . .
H2 H 0.0835 0.3351 0.8820 0.042 Uiso 1 1 calc R . .
N2 N 0.0279(2) 0.3398(2) 0.7423(2) 0.0486(13) Uani 1 1 d . . .
H3 H 0.0294 0.3004 0.7597 0.058 Uiso 1 1 calc R . .
H4 H -0.0301 0.3551 0.7356 0.058 Uiso 1 1 calc R . .
N3 N 0.5216(2) 0.26259(15) 0.81606(15) 0.0315(10) Uani 1 1 d . . .
H5 H 0.5445 0.2444 0.7876 0.038 Uiso 1 1 calc R . .
H6 H 0.5545 0.2470 0.8516 0.038 Uiso 1 1 calc R . .
N4 N 0.6795(2) 0.35038(16) 0.82452(15) 0.0318(9) Uani 1 1 d . . .
H7 H 0.7004 0.3171 0.8497 0.038 Uiso 1 1 calc R . .
H8 H 0.6885 0.3398 0.7888 0.038 Uiso 1 1 calc R . .
N5 N 0.5084(2) 0.53819(17) 1.06866(13) 0.0317(9) Uani 1 1 d . . .
H9 H 0.5277 0.5700 1.0958 0.038 Uiso 1 1 calc R . .
H10 H 0.4823 0.5067 1.0858 0.038 Uiso 1 1 calc R . .
N6 N 0.3548(2) 0.63556(18) 1.04725(16) 0.0372(10) Uani 1 1 d . . .
H11 H 0.3410 0.6119 1.0765 0.045 Uiso 1 1 calc R . .
H12 H 0.3969 0.6656 1.0648 0.045 Uiso 1 1 calc R . .
N7 N 0.0177(2) 0.73136(15) 0.76362(18) 0.0365(11) Uani 1 1 d . . .
H13 H 0.0132 0.7685 0.7834 0.044 Uiso 1 1 calc R . .
H14 H -0.0197 0.7348 0.7263 0.044 Uiso 1 1 calc R . .
N8 N 0.1684(2) 0.81375(16) 0.74343(18) 0.0367(11) Uani 1 1 d . . .
H15 H 0.1164 0.8281 0.7174 0.044 Uiso 1 1 calc R . .
H16 H 0.1747 0.8358 0.7778 0.044 Uiso 1 1 calc R . .
N9 N 0.3118(3) 0.4356(3) 0.53489(17) 0.0652(15) Uani 1 1 d . . .
H17 H 0.2596 0.4232 0.5079 0.078 Uiso 1 1 calc R . .
H18 H 0.3499 0.4527 0.5146 0.078 Uiso 1 1 calc R . .
N10 N 0.2103(3) 0.5592(3) 0.5187(2) 0.0742(18) Uani 1 1 d . . .
H19 H 0.2439 0.5610 0.4918 0.089 Uiso 1 1 calc R . .
H20 H 0.1574 0.5381 0.5014 0.089 Uiso 1 1 calc R . .
N11 N 0.6975(3) 0.7210(2) 0.8384(2) 0.0548(12) Uani 1 1 d U . .
H21 H 0.7496 0.7157 0.8266 0.066 Uiso 1 1 calc R . .
H22 H 0.6865 0.7640 0.8395 0.066 Uiso 1 1 calc R . .
N12 N 0.6302(3) 0.7190(2) 0.7093(2) 0.0699(14) Uani 1 1 d . . .
H23 H 0.6420 0.7615 0.7171 0.084 Uiso 1 1 calc R . .
H24 H 0.6830 0.7001 0.7063 0.084 Uiso 1 1 calc R . .
C1 C 0.1845(3) 0.4335(2) 0.93911(18) 0.0372(12) Uani 1 1 d . . .
C2 C 0.0836(3) 0.4157(2) 0.9193(2) 0.0400(12) Uani 1 1 d . . .
H25 H 0.0478 0.4558 0.9089 0.048 Uiso 1 1 calc R . .
C3 C 0.0571(3) 0.3842(3) 0.9718(3) 0.0727(18) Uani 1 1 d . . .
C4 C 0.2432(3) 0.3805(3) 0.9659(2) 0.0534(16) Uani 1 1 d . . .
H26 H 0.2178 0.3596 0.9951 0.080 Uiso 1 1 calc R . .
H27 H 0.3037 0.3968 0.9850 0.080 Uiso 1 1 calc R . .
H28 H 0.2472 0.3497 0.9356 0.080 Uiso 1 1 calc R . .
C5 C 0.2012(3) 0.4922(3) 0.9818(2) 0.0580(18) Uani 1 1 d . . .
H29 H 0.1864 0.5316 0.9591 0.087 Uiso 1 1 calc R . .
H30 H 0.2649 0.4931 1.0041 0.087 Uiso 1 1 calc R . .
H31 H 0.1629 0.4885 1.0089 0.087 Uiso 1 1 calc R . .
C6 C 0.0638(4) 0.3981(2) 0.6638(2) 0.0603(17) Uani 1 1 d . . .
C7 C 0.0483(3) 0.3314(2) 0.6861(2) 0.0390(13) Uani 1 1 d . . .
H32 H 0.1036 0.3045 0.6907 0.047 Uiso 1 1 calc R . .
C8 C -0.0327(4) 0.3007(3) 0.6423(3) 0.0619(18) Uani 1 1 d . . .
C9 C -0.0211(3) 0.4441(2) 0.6576(2) 0.0416(14) Uani 1 1 d . . .
H33 H -0.0615 0.4403 0.6181 0.062 Uiso 1 1 calc R . .
H34 H -0.0001 0.4883 0.6645 0.062 Uiso 1 1 calc R . .
H35 H -0.0537 0.4321 0.6865 0.062 Uiso 1 1 calc R . .
C10 C 0.0932(3) 0.3995(3) 0.6054(2) 0.0531(15) Uani 1 1 d . . .
H36 H 0.0687 0.3621 0.5818 0.080 Uiso 1 1 calc R . .
H37 H 0.1593 0.3991 0.6143 0.080 Uiso 1 1 calc R . .
H38 H 0.0698 0.4383 0.5836 0.080 Uiso 1 1 calc R . .
C11 C 0.3771(3) 0.28559(19) 0.83844(17) 0.0283(11) Uani 1 1 d . . .
C12 C 0.4277(2) 0.24203(19) 0.80661(19) 0.0295(11) Uani 1 1 d . . .
H39 H 0.3979 0.2455 0.7637 0.035 Uiso 1 1 calc R . .
C13 C 0.4202(3) 0.1736(2) 0.8242(2) 0.0427(14) Uani 1 1 d . . .
C14 C 0.4198(3) 0.2864(2) 0.90474(17) 0.0317(11) Uani 1 1 d . . .
H40 H 0.4038 0.3262 0.9213 0.048 Uiso 1 1 calc R . .
H41 H 0.4857 0.2834 0.9125 0.048 Uiso 1 1 calc R . .
H42 H 0.3972 0.2501 0.9228 0.048 Uiso 1 1 calc R . .
C15 C 0.2769(3) 0.2738(2) 0.8251(3) 0.0546(18) Uani 1 1 d . . .
H43 H 0.2654 0.2278 0.8235 0.082 Uiso 1 1 calc R . .
H44 H 0.2467 0.2931 0.7873 0.082 Uiso 1 1 calc R . .
H45 H 0.2533 0.2928 0.8559 0.082 Uiso 1 1 calc R . .
C16 C 0.6899(3) 0.46767(18) 0.80651(18) 0.0295(11) Uani 1 1 d . . .
C17 C 0.7335(3) 0.4083(2) 0.8470(2) 0.0401(14) Uani 1 1 d . . .
H46 H 0.7297 0.4166 0.8879 0.048 Uiso 1 1 calc R . .
C18 C 0.8350(3) 0.4003(2) 0.8478(2) 0.0496(14) Uani 1 1 d . . .
C19 C 0.6957(3) 0.4590(2) 0.7443(2) 0.0463(14) Uani 1 1 d . . .
H47 H 0.7589 0.4628 0.7429 0.069 Uiso 1 1 calc R . .
H48 H 0.6594 0.4920 0.7194 0.069 Uiso 1 1 calc R . .
H49 H 0.6725 0.4168 0.7301 0.069 Uiso 1 1 calc R . .
C20 C 0.7351(2) 0.5304(2) 0.8360(3) 0.0474(16) Uani 1 1 d . . .
H50 H 0.7994 0.5304 0.8369 0.071 Uiso 1 1 calc R . .
H51 H 0.7288 0.5330 0.8761 0.071 Uiso 1 1 calc R . .
H52 H 0.7053 0.5673 0.8135 0.071 Uiso 1 1 calc R . .
C21 C 0.5514(3) 0.4587(2) 1.00524(19) 0.0370(13) Uani 1 1 d . . .
C22 C 0.5855(3) 0.5122(2) 1.05155(17) 0.0336(11) Uani 1 1 d . . .
H53 H 0.6108 0.5471 1.0318 0.040 Uiso 1 1 calc R . .
C23 C 0.6605(3) 0.4922(3) 1.1069(2) 0.0489(16) Uani 1 1 d . . .
C24 C 0.6279(3) 0.4332(3) 0.9801(2) 0.0467(14) Uani 1 1 d . . .
H54 H 0.6706 0.4084 1.0101 0.070 Uiso 1 1 calc R . .
H55 H 0.6597 0.4691 0.9679 0.070 Uiso 1 1 calc R . .
H56 H 0.6020 0.4060 0.9461 0.070 Uiso 1 1 calc R . .
C25 C 0.5107(3) 0.4074(2) 1.02860(18) 0.0368(13) Uani 1 1 d . . .
H57 H 0.5522 0.3925 1.0651 0.055 Uiso 1 1 calc R . .
H58 H 0.4975 0.3723 1.0003 0.055 Uiso 1 1 calc R . .
H59 H 0.4543 0.4221 1.0365 0.055 Uiso 1 1 calc R . .
C26 C 0.2856(3) 0.6959(2) 0.95706(19) 0.0330(11) Uani 1 1 d . . .
C27 C 0.2725(3) 0.6684(2) 1.0140(2) 0.0400(14) Uani 1 1 d . . .
H60 H 0.2222 0.6366 1.0038 0.048 Uiso 1 1 calc R . .
C28 C 0.2449(3) 0.7223(2) 1.0519(2) 0.0475(14) Uani 1 1 d . . .
C29 C 0.3628(3) 0.7442(2) 0.9709(2) 0.0459(13) Uani 1 1 d . . .
H61 H 0.3459 0.7806 0.9917 0.069 Uiso 1 1 calc R . .
H62 H 0.3746 0.7590 0.9343 0.069 Uiso 1 1 calc R . .
H63 H 0.4174 0.7241 0.9954 0.069 Uiso 1 1 calc R . .
C30 C 0.1936(3) 0.7216(3) 0.9194(2) 0.0446(14) Uani 1 1 d . . .
H64 H 0.1632 0.6883 0.8922 0.067 Uiso 1 1 calc R . .
H65 H 0.2041 0.7589 0.8971 0.067 Uiso 1 1 calc R . .
H66 H 0.1554 0.7337 0.9450 0.067 Uiso 1 1 calc R . .
C31 C 0.0033(3) 0.6133(2) 0.76851(19) 0.0328(12) Uani 1 1 d . . .
C32 C -0.0117(2) 0.67632(18) 0.79424(19) 0.0301(11) Uani 1 1 d . . .
H67 H 0.0257 0.6769 0.8358 0.036 Uiso 1 1 calc R . .
C33 C -0.1114(2) 0.6855(2) 0.7950(2) 0.0405(13) Uani 1 1 d . . .
C34 C -0.0505(3) 0.6088(2) 0.70357(19) 0.0369(13) Uani 1 1 d . . .
H68 H -0.1152 0.6047 0.7010 0.055 Uiso 1 1 calc R . .
H69 H -0.0303 0.5714 0.6856 0.055 Uiso 1 1 calc R . .
H70 H -0.0403 0.6474 0.6829 0.055 Uiso 1 1 calc R . .
C35 C -0.0158(3) 0.5575(2) 0.8035(2) 0.0435(13) Uani 1 1 d . . .
H71 H 0.0069 0.5669 0.8454 0.065 Uiso 1 1 calc R . .
H72 H 0.0145 0.5194 0.7939 0.065 Uiso 1 1 calc R . .
H73 H -0.0812 0.5500 0.7941 0.065 Uiso 1 1 calc R . .
C36 C 0.3330(2) 0.79732(19) 0.7650(2) 0.0406(14) Uani 1 1 d . . .
C37 C 0.2457(3) 0.8298(2) 0.7199(3) 0.0536(16) Uani 1 1 d . . .
H74 H 0.2370 0.8140 0.6789 0.064 Uiso 1 1 calc R . .
C38 C 0.2588(4) 0.9034(2) 0.7242(2) 0.0544(16) Uani 1 1 d . . .
C39 C 0.3507(3) 0.8248(3) 0.8195(3) 0.067(2) Uani 1 1 d . . .
H75 H 0.4056 0.8060 0.8449 0.101 Uiso 1 1 calc R . .
H76 H 0.2996 0.8173 0.8363 0.101 Uiso 1 1 calc R . .
H77 H 0.3594 0.8708 0.8161 0.101 Uiso 1 1 calc R . .
C40 C 0.4150(3) 0.8005(3) 0.7379(3) 0.0726(19) Uani 1 1 d . . .
H78 H 0.4483 0.8403 0.7498 0.109 Uiso 1 1 calc R . .
H79 H 0.3933 0.7991 0.6951 0.109 Uiso 1 1 calc R . .
H80 H 0.4552 0.7642 0.7517 0.109 Uiso 1 1 calc R . .
C41 C 0.4315(3) 0.4013(3) 0.61972(18) 0.0444(13) Uani 1 1 d . . .
C42 C 0.3548(4) 0.3795(4) 0.5666(2) 0.072(2) Uani 1 1 d . . .
H81 H 0.3088 0.3552 0.5810 0.086 Uiso 1 1 calc R . .
C43 C 0.3883(4) 0.3380(3) 0.5241(2) 0.0625(18) Uani 1 1 d . . .
C44 C 0.4799(3) 0.3453(2) 0.6568(2) 0.0434(14) Uani 1 1 d . . .
H82 H 0.5066 0.3175 0.6325 0.065 Uiso 1 1 calc R . .
H83 H 0.4362 0.3209 0.6718 0.065 Uiso 1 1 calc R . .
H84 H 0.5277 0.3616 0.6896 0.065 Uiso 1 1 calc R . .
C45 C 0.4971(3) 0.4386(3) 0.5988(2) 0.0633(18) Uani 1 1 d . . .
H85 H 0.5307 0.4665 0.6303 0.095 Uiso 1 1 calc R . .
H86 H 0.4654 0.4646 0.5653 0.095 Uiso 1 1 calc R . .
H87 H 0.5393 0.4098 0.5868 0.095 Uiso 1 1 calc R . .
C46 C 0.1547(3) 0.6262(3) 0.5849(2) 0.0455(15) Uani 1 1 d . . .
C47 C 0.1880(3) 0.6233(3) 0.53130(19) 0.0459(14) Uani 1 1 d . . .
H88 H 0.2461 0.6477 0.5405 0.055 Uiso 1 1 calc R . .
C48 C 0.1257(5) 0.6561(4) 0.4785(2) 0.093(2) Uani 1 1 d . . .
C49 C 0.0617(3) 0.5908(4) 0.5732(2) 0.069(2) Uani 1 1 d . . .
H89 H 0.0177 0.6117 0.5408 0.103 Uiso 1 1 calc R . .
H90 H 0.0398 0.5922 0.6085 0.103 Uiso 1 1 calc R . .
H91 H 0.0693 0.5463 0.5628 0.103 Uiso 1 1 calc R . .
C50 C 0.1424(5) 0.6947(3) 0.6041(3) 0.089(2) Uani 1 1 d . . .
H92 H 0.1842 0.7230 0.5911 0.133 Uiso 1 1 calc R . .
H93 H 0.1552 0.6964 0.6469 0.133 Uiso 1 1 calc R . .
H94 H 0.0801 0.7085 0.5866 0.133 Uiso 1 1 calc R . .
C51 C 0.6199(3) 0.6926(2) 0.9162(2) 0.0362(13) Uani 1 1 d . . .
C52 C 0.7117(3) 0.6927(3) 0.9009(3) 0.0599(17) Uani 1 1 d . . .
H95 H 0.7321 0.6475 0.9001 0.072 Uiso 1 1 calc R . .
C53 C 0.7857(4) 0.7291(2) 0.9392(3) 0.102(3) Uani 1 1 d DU . .
C54 C 0.5859(3) 0.7581(2) 0.9200(3) 0.0497(16) Uani 1 1 d . . .
H96 H 0.5351 0.7569 0.9380 0.075 Uiso 1 1 calc R . .
H97 H 0.5656 0.7764 0.8806 0.075 Uiso 1 1 calc R . .
H98 H 0.6345 0.7845 0.9440 0.075 Uiso 1 1 calc R . .
C55 C 0.6346(5) 0.6581(3) 0.9736(3) 0.076(2) Uani 1 1 d . . .
H99 H 0.6939 0.6696 0.9991 0.113 Uiso 1 1 calc R . .
H100 H 0.6323 0.6120 0.9666 0.113 Uiso 1 1 calc R . .
H101 H 0.5872 0.6702 0.9924 0.113 Uiso 1 1 calc R . .
C56 C 0.5342(3) 0.6413(3) 0.6438(3) 0.0657(16) Uani 1 1 d . . .
C57 C 0.5594(3) 0.7126(4) 0.6507(3) 0.081(2) Uani 1 1 d . . .
H102 H 0.5045 0.7373 0.6527 0.097 Uiso 0.50 1 calc PR C 1
H103 H 0.5053 0.7400 0.6489 0.097 Uiso 0.50 1 calc PR C 2
C58A C 0.6007(9) 0.7439(7) 0.6090(6) 0.068(3) Uiso 0.50 1 d P A 1
C58B C 0.5976(9) 0.7198(7) 0.5874(6) 0.070(3) Uiso 0.50 1 d P B 2
C59 C 0.4598(5) 0.6218(4) 0.5865(3) 0.101(3) Uani 1 1 d . . .
H104 H 0.4009 0.6384 0.5884 0.151 Uiso 1 1 calc R A .
H105 H 0.4568 0.5752 0.5834 0.151 Uiso 1 1 calc R . .
H106 H 0.4756 0.6396 0.5522 0.151 Uiso 1 1 calc R . .
C60 C 0.6116(4) 0.5943(4) 0.6421(3) 0.089(2) Uani 1 1 d . . .
H107 H 0.6055 0.5807 0.6017 0.134 Uiso 1 1 calc R A .
H108 H 0.6083 0.5570 0.6664 0.134 Uiso 1 1 calc R . .
H109 H 0.6701 0.6156 0.6572 0.134 Uiso 1 1 calc R . .
O25 O 0.0979(5) 0.2139(6) 0.8977(3) 0.232(4) Uani 1 1 d . . .
O26 O -0.0980(4) 0.2371(2) 0.8566(2) 0.0925(19) Uani 1 1 d . . .
O27 O -0.0709(11) 0.1095(6) 0.9242(5) 0.263(7) Uani 1 1 d . . .
O28 O 0.0175(5) 0.1296(3) 1.0597(3) 0.164(3) Uani 1 1 d . . .
O29 O -0.0028(5) 0.2730(4) 1.0689(4) 0.186(4) Uani 1 1 d . . .
O30 O 0.1737(3) 0.0644(3) 0.8039(3) 0.097(2) Uani 1 1 d . . .
O31 O 0.4597(4) 0.0204(3) 0.7562(2) 0.098(2) Uani 1 1 d . . .
O32 O 0.1848(4) 0.1429(2) 0.7030(3) 0.116(2) Uani 1 1 d . . .
O33 O 0.3395(5) 0.0722(6) 0.6567(3) 0.185(4) Uani 1 1 d . . .
O34 O 0.3297(5) 0.7511(4) 0.6039(3) 0.124(2) Uiso 1 1 d . . .
Cl3 Cl 0.0567(3) 0.1929(2) 0.7733(2) 0.211(2) Uani 1 1 d . . .
O35 O 0.5924(4) 0.9739(3) 0.8564(2) 0.0928(15) Uiso 1 1 d . . .
O36 O 0.7410(4) 0.0650(3) 0.8688(3) 0.0993(17) Uiso 1 1 d . . .
O37 O 0.9232(4) 0.5165(3) 0.9712(3) 0.0981(16) Uiso 1 1 d . . .
O38 O 0.7231(4) 0.2924(3) 0.7138(3) 0.1062(18) Uiso 1 1 d . . .
O39 O 0.7109(4) 0.3312(3) 0.6003(3) 0.1087(19) Uiso 1 1 d . . .
O40 O 0.1589(4) 0.8758(3) 0.8710(3) 0.117(2) Uiso 1 1 d . . .
O41 O 0.1607(7) 0.0239(6) 0.6619(5) 0.197(4) Uiso 1 1 d . . .
O42 O 0.8454(10) 0.9181(8) 0.8753(6) 0.270(6) Uiso 1 1 d . . .
O43 O 0.1272(7) 0.8663(5) 0.9810(4) 0.181(4) Uiso 1 1 d . . .
O44A O 0.6779(5) 0.8629(4) 0.8225(3) 0.0547(18) Uiso 0.50 1 d P D 1
O44B O 0.6433(8) 0.8599(6) 0.7667(5) 0.106(4) Uiso 0.50 1 d P E 2
O45 O 0.5952(6) 0.2057(6) 0.7294(4) 0.190(4) Uiso 1 1 d . . .
O46 O 0.1859(5) 0.0529(4) 0.9712(4) 0.145(3) Uiso 1 1 d . . .
O47 O 0.3811(5) 0.5226(4) 0.4481(4) 0.155(3) Uiso 1 1 d . . .
O48 O 0.3140(6) 0.6379(5) 0.4349(4) 0.174(3) Uiso 1 1 d . . .
O49 O 0.3771(7) 0.7451(6) 0.4763(5) 0.194(4) Uiso 1 1 d . . .
O50A O 0.6152(7) 0.8607(5) 0.7068(4) 0.085(3) Uiso 0.50 1 d P F 1
O51 O 0.1486(5) 0.2357(3) 0.5466(4) 0.173(3) Uiso 1 1 d D . .
O52 O 0.0708(6) 0.4672(5) 0.4568(4) 0.174(3) Uiso 1 1 d . . .
O53 O 0.4159(8) 0.1822(6) 0.6323(5) 0.215(5) Uiso 1 1 d . . .
O54 O 0.1079(8) 0.1247(3) 0.5748(6) 0.298(8) Uiso 1 1 d D . .
O55 O 0.8913(7) 0.7449(6) 0.6273(5) 0.212(5) Uiso 1 1 d . . .
O56 O 0.1680(8) 0.0449(7) 0.4390(6) 0.112(4) Uiso 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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
O1 La1 O25 76.9(3) . .
O1 La1 O27 153.0(3) . .
O25 La1 O27 89.5(4) . .
O1 La1 O12 92.17(16) . 2_547
O25 La1 O12 132.70(19) . 2_547
O27 La1 O12 79.9(4) . 2_547
O1 La1 O22 79.72(16) . 2_647
O25 La1 O22 63.13(19) . 2_647
O27 La1 O22 115.0(4) . 2_647
O12 La1 O22 160.33(15) 2_547 2_647
O1 La1 O29 69.0(2) . .
O25 La1 O29 138.3(3) . .
O27 La1 O29 131.1(4) . .
O12 La1 O29 73.19(19) 2_547 .
O22 La1 O29 87.2(2) 2_647 .
O1 La1 O28 132.80(18) . .
O25 La1 O28 126.6(3) . .
O27 La1 O28 73.9(3) . .
O12 La1 O28 94.6(2) 2_547 .
O22 La1 O28 78.5(2) 2_647 .
O29 La1 O28 68.5(2) . .
O1 La1 O26 82.36(15) . .
O25 La1 O26 67.4(2) . .
O27 La1 O26 70.8(3) . .
O12 La1 O26 65.56(16) 2_547 .
O22 La1 O26 129.95(18) 2_647 .
O29 La1 O26 128.2(2) . .
O28 La1 O26 141.88(18) . .
O41 La2 O6 132.8(3) . .
O41 La2 O33 74.1(3) . .
O6 La2 O33 91.4(3) . .
O41 La2 O9 138.6(3) . 2_647
O6 La2 O9 80.98(12) . 2_647
O33 La2 O9 137.4(2) . 2_647
O41 La2 O15 68.5(3) . 1_545
O6 La2 O15 145.77(15) . 1_545
O33 La2 O15 122.5(3) . 1_545
O9 La2 O15 70.80(12) 2_647 1_545
O41 La2 O31 129.8(3) . .
O6 La2 O31 80.00(17) . .
O33 La2 O31 67.5(2) . .
O9 La2 O31 69.97(15) 2_647 .
O15 La2 O31 106.94(17) 1_545 .
O41 La2 O30 85.8(3) . .
O6 La2 O30 81.77(16) . .
O33 La2 O30 145.4(3) . .
O9 La2 O30 75.12(15) 2_647 .
O15 La2 O30 72.73(17) 1_545 .
O31 La2 O30 142.62(17) . .
O41 La2 O32 62.9(3) . .
O6 La2 O32 70.24(14) . .
O33 La2 O32 77.7(3) . .
O9 La2 O32 135.64(16) 2_647 .
O15 La2 O32 118.18(15) 1_545 .
O31 La2 O32 133.10(19) . .
O30 La2 O32 68.08(19) . .
O41 La2 O16 73.6(3) . 1_545
O6 La2 O16 148.62(13) . 1_545
O33 La2 O16 79.3(3) . 1_545
O9 La2 O16 85.84(12) 2_647 1_545
O15 La2 O16 49.36(15) 1_545 1_545
O31 La2 O16 68.72(17) . 1_545
O30 La2 O16 122.07(16) . 1_545
O32 La2 O16 134.75(15) . 1_545
O41 La2 C38 68.9(3) . 1_545
O6 La2 C38 157.96(13) . 1_545
O33 La2 C38 100.1(3) . 1_545
O9 La2 C38 77.83(13) 2_647 1_545
O15 La2 C38 25.72(16) 1_545 1_545
O31 La2 C38 87.10(18) . 1_545
O30 La2 C38 98.43(17) . 1_545
O32 La2 C38 130.45(15) . 1_545
O16 La2 C38 23.64(16) 1_545 1_545
N1 Pd1 N2 92.85(16) . .
N1 Pd1 S1 84.85(10) . .
N2 Pd1 S1 176.06(12) . .
N1 Pd1 S2 175.52(9) . .
N2 Pd1 S2 84.52(13) . .
S1 Pd1 S2 97.97(4) . .
N4 Pd2 N3 92.48(13) . .
N4 Pd2 S4 85.44(10) . .
N3 Pd2 S4 176.00(11) . .
N4 Pd2 S3 175.93(10) . .
N3 Pd2 S3 85.74(10) . .
S4 Pd2 S3 96.55(3) . .
N5 Pd3 N6 93.54(14) . .
N5 Pd3 S6 171.47(10) . .
N6 Pd3 S6 85.40(10) . .
N5 Pd3 S5 85.16(10) . .
N6 Pd3 S5 174.96(11) . .
S6 Pd3 S5 96.60(4) . .
N8 Pd4 N7 93.36(13) . .
N8 Pd4 S7 177.05(11) . .
N7 Pd4 S7 85.94(9) . .
N8 Pd4 S8 84.48(10) . .
N7 Pd4 S8 173.74(11) . .
S7 Pd4 S8 96.51(4) . .
N10 Pd5 N9 93.2(2) . .
N10 Pd5 S10 84.47(16) . .
N9 Pd5 S10 176.35(12) . .
N10 Pd5 S9 173.82(16) . .
N9 Pd5 S9 84.96(12) . .
S10 Pd5 S9 97.67(4) . .
N11 Pd6 N12 91.43(18) . .
N11 Pd6 S11 87.00(14) . .
N12 Pd6 S11 172.89(13) . .
N11 Pd6 S12 171.53(13) . .
N12 Pd6 S12 85.57(12) . .
S11 Pd6 S12 96.93(4) . .
S7 Cu1 S6 120.37(4) . .
S7 Cu1 S1 119.99(4) . .
S6 Cu1 S1 117.92(4) . .
S2 Cu2 S7 124.06(5) . .
S2 Cu2 S10 119.96(5) . .
S7 Cu2 S10 115.88(5) . .
S2 Cu3 S3 109.16(4) . .
S2 Cu3 S9 108.52(4) . .
S3 Cu3 S9 108.24(4) . .
S2 Cu3 Cl2 110.43(5) . .
S3 Cu3 Cl2 109.39(4) . .
S9 Cu3 Cl2 111.04(5) . .
S3 Cu4 S5 127.53(4) . .
S3 Cu4 S1 115.74(4) . .
S5 Cu4 S1 116.39(4) . .
S3 Cu4 Cl1 93.94(4) . .
S5 Cu4 Cl1 92.21(4) . .
S1 Cu4 Cl1 89.39(3) . .
S6 Cu5 S8 119.41(4) . .
S6 Cu5 S11 120.81(4) . .
S8 Cu5 S11 119.40(5) . .
S6 Cu5 Cl1 91.48(4) . .
S8 Cu5 Cl1 92.63(4) . .
S11 Cu5 Cl1 91.94(4) . .
S12 Cu6 S8 121.22(4) . .
S12 Cu6 S10 118.89(5) . .
S8 Cu6 S10 117.23(5) . .
S9 Cu7 S4 117.15(4) . .
S9 Cu7 S12 122.51(4) . .
S4 Cu7 S12 119.94(4) . .
S9 Cu7 Cl1 93.70(4) . .
S4 Cu7 Cl1 90.50(4) . .
S12 Cu7 Cl1 92.06(4) . .
S5 Cu8 S11 120.65(4) . .
S5 Cu8 S4 119.18(4) . .
S11 Cu8 S4 119.61(5) . .
Cu5 Cl1 Cu7 111.19(4) . .
Cu5 Cl1 Cu4 111.40(4) . .
Cu7 Cl1 Cu4 107.14(4) . .
C1 S1 Cu1 116.45(16) . .
C1 S1 Pd1 100.12(13) . .
Cu1 S1 Pd1 118.53(4) . .
C1 S1 Cu4 112.64(12) . .
Cu1 S1 Cu4 96.51(4) . .
Pd1 S1 Cu4 113.37(5) . .
C6 S2 Cu2 113.67(16) . .
C6 S2 Pd1 97.0(2) . .
Cu2 S2 Pd1 113.28(5) . .
C6 S2 Cu3 109.71(19) . .
Cu2 S2 Cu3 109.60(5) . .
Pd1 S2 Cu3 113.09(4) . .
C11 S3 Cu4 112.20(14) . .
C11 S3 Pd2 96.78(13) . .
Cu4 S3 Pd2 112.12(4) . .
C11 S3 Cu3 110.14(11) . .
Cu4 S3 Cu3 110.90(4) . .
Pd2 S3 Cu3 114.00(5) . .
C16 S4 Pd2 101.37(12) . .
C16 S4 Cu8 115.04(13) . .
Pd2 S4 Cu8 121.01(5) . .
C16 S4 Cu7 113.58(13) . .
Pd2 S4 Cu7 113.47(4) . .
Cu8 S4 Cu7 93.06(4) . .
C21 S5 Cu8 114.16(16) . .
C21 S5 Pd3 99.64(15) . .
Cu8 S5 Pd3 117.96(4) . .
C21 S5 Cu4 121.19(14) . .
Cu8 S5 Cu4 89.17(4) . .
Pd3 S5 Cu4 116.12(4) . .
C26 S6 Cu1 117.05(12) . .
C26 S6 Pd3 99.44(13) . .
Cu1 S6 Pd3 116.76(5) . .
C26 S6 Cu5 113.98(15) . .
Cu1 S6 Cu5 93.90(4) . .
Pd3 S6 Cu5 116.95(5) . .
C31 S7 Cu1 112.69(14) . .
C31 S7 Pd4 100.17(14) . .
Cu1 S7 Pd4 115.85(4) . .
C31 S7 Cu2 117.19(14) . .
Cu1 S7 Cu2 93.56(4) . .
Pd4 S7 Cu2 118.36(5) . .
C36 S8 Cu6 118.12(18) . .
C36 S8 Pd4 100.12(13) . .
Cu6 S8 Pd4 117.80(4) . .
C36 S8 Cu5 112.47(15) . .
Cu6 S8 Cu5 94.17(4) . .
Pd4 S8 Cu5 115.10(5) . .
C41 S9 Cu7 111.00(14) . .
C41 S9 Pd5 97.83(14) . .
Cu7 S9 Pd5 112.22(5) . .
C41 S9 Cu3 109.78(18) . .
Cu7 S9 Cu3 109.95(5) . .
Pd5 S9 Cu3 115.49(5) . .
C46 S10 Cu6 113.82(18) . .
C46 S10 Pd5 99.59(18) . .
Cu6 S10 Pd5 117.67(5) . .
C46 S10 Cu2 115.37(18) . .
Cu6 S10 Cu2 99.10(5) . .
Pd5 S10 Cu2 112.19(5) . .
C51 S11 Pd6 99.49(16) . .
C51 S11 Cu8 116.84(15) . .
Pd6 S11 Cu8 118.54(5) . .
C51 S11 Cu5 117.33(15) . .
Pd6 S11 Cu5 114.73(4) . .
Cu8 S11 Cu5 91.27(4) . .
C56 S12 Cu6 115.67(15) . .
C56 S12 Pd6 98.97(16) . .
Cu6 S12 Pd6 115.11(5) . .
C56 S12 Cu7 117.27(19) . .
Cu6 S12 Cu7 94.14(5) . .
Pd6 S12 Cu7 116.96(4) . .
C3 O1 La1 169.5(5) . .
C13 O6 La2 154.3(3) . .
C23 O9 La2 136.7(3) . 2_657
C28 O12 La1 149.3(4) . 2_557
C38 O15 La2 95.8(3) . 1_565
C38 O16 La2 93.4(4) . 1_565
C53 O22 La1 121.4(5) . 2_657
C58A O24A H110 109.5 . .
C58B O24B H111 109.5 . .
C2 N1 Pd1 116.1(3) . .
C2 N1 H1 108.3 . .
Pd1 N1 H1 108.3 . .
C2 N1 H2 108.3 . .
Pd1 N1 H2 108.3 . .
H1 N1 H2 107.4 . .
C7 N2 Pd1 115.7(3) . .
C7 N2 H3 108.4 . .
Pd1 N2 H3 108.4 . .
C7 N2 H4 108.4 . .
Pd1 N2 H4 108.4 . .
H3 N2 H4 107.4 . .
C12 N3 Pd2 115.6(2) . .
C12 N3 H5 108.4 . .
Pd2 N3 H5 108.4 . .
C12 N3 H6 108.4 . .
Pd2 N3 H6 108.4 . .
H5 N3 H6 107.4 . .
C17 N4 Pd2 114.0(3) . .
C17 N4 H7 108.7 . .
Pd2 N4 H7 108.7 . .
C17 N4 H8 108.7 . .
Pd2 N4 H8 108.7 . .
H7 N4 H8 107.6 . .
C22 N5 Pd3 110.9(2) . .
C22 N5 H9 109.5 . .
Pd3 N5 H9 109.5 . .
C22 N5 H10 109.5 . .
Pd3 N5 H10 109.5 . .
H9 N5 H10 108.1 . .
C27 N6 Pd3 114.0(3) . .
C27 N6 H11 108.7 . .
Pd3 N6 H11 108.7 . .
C27 N6 H12 108.7 . .
Pd3 N6 H12 108.7 . .
H11 N6 H12 107.6 . .
C32 N7 Pd4 110.3(2) . .
C32 N7 H13 109.6 . .
Pd4 N7 H13 109.6 . .
C32 N7 H14 109.6 . .
Pd4 N7 H14 109.6 . .
H13 N7 H14 108.1 . .
C37 N8 Pd4 116.4(3) . .
C37 N8 H15 108.2 . .
Pd4 N8 H15 108.2 . .
C37 N8 H16 108.2 . .
Pd4 N8 H16 108.2 . .
H15 N8 H16 107.3 . .
C42 N9 Pd5 114.2(3) . .
C42 N9 H17 108.7 . .
Pd5 N9 H17 108.7 . .
C42 N9 H18 108.7 . .
Pd5 N9 H18 108.7 . .
H17 N9 H18 107.6 . .
C47 N10 Pd5 116.4(3) . .
C47 N10 H19 108.2 . .
Pd5 N10 H19 108.2 . .
C47 N10 H20 108.2 . .
Pd5 N10 H20 108.2 . .
H19 N10 H20 107.3 . .
C52 N11 Pd6 112.0(3) . .
C52 N11 H21 109.2 . .
Pd6 N11 H21 109.2 . .
C52 N11 H22 109.2 . .
Pd6 N11 H22 109.2 . .
H21 N11 H22 107.9 . .
C57 N12 Pd6 113.6(3) . .
C57 N12 H23 108.8 . .
Pd6 N12 H23 108.8 . .
C57 N12 H24 108.9 . .
Pd6 N12 H24 108.8 . .
H23 N12 H24 107.7 . .
C4 C1 C2 113.6(4) . .
C4 C1 C5 109.8(4) . .
C2 C1 C5 111.6(4) . .
C4 C1 S1 111.2(3) . .
C2 C1 S1 104.8(3) . .
C5 C1 S1 105.5(3) . .
N1 C2 C1 112.9(4) . .
N1 C2 C3 110.9(4) . .
C1 C2 C3 108.2(3) . .
N1 C2 H25 108.2 . .
C1 C2 H25 108.2 . .
C3 C2 H25 108.2 . .
O1 C3 O2 127.3(7) . .
O1 C3 C2 113.7(6) . .
O2 C3 C2 118.6(5) . .
C1 C4 H26 109.5 . .
C1 C4 H27 109.5 . .
H26 C4 H27 109.5 . .
C1 C4 H28 109.5 . .
H26 C4 H28 109.5 . .
H27 C4 H28 109.5 . .
C1 C5 H29 109.5 . .
C1 C5 H30 109.5 . .
H29 C5 H30 109.5 . .
C1 C5 H31 109.5 . .
H29 C5 H31 109.5 . .
H30 C5 H31 109.5 . .
C7 C6 C10 115.3(4) . .
C7 C6 C9 112.8(5) . .
C10 C6 C9 108.9(4) . .
C7 C6 S2 105.5(3) . .
C10 C6 S2 105.6(4) . .
C9 C6 S2 108.2(3) . .
N2 C7 C8 109.8(4) . .
N2 C7 C6 107.0(4) . .
C8 C7 C6 108.7(4) . .
N2 C7 H32 110.4 . .
C8 C7 H32 110.4 . .
C6 C7 H32 110.4 . .
O3 C8 O4 126.1(5) . .
O3 C8 C7 117.7(5) . .
O4 C8 C7 115.5(5) . .
C6 C9 H33 109.5 . .
C6 C9 H34 109.5 . .
H33 C9 H34 109.5 . .
C6 C9 H35 109.5 . .
H33 C9 H35 109.5 . .
H34 C9 H35 109.5 . .
C6 C10 H36 109.5 . .
C6 C10 H37 109.5 . .
H36 C10 H37 109.5 . .
C6 C10 H38 109.5 . .
H36 C10 H38 109.5 . .
H37 C10 H38 109.5 . .
C15 C11 C12 115.0(4) . .
C15 C11 C14 110.7(4) . .
C12 C11 C14 112.2(3) . .
C15 C11 S3 106.3(3) . .
C12 C11 S3 105.5(3) . .
C14 C11 S3 106.5(3) . .
N3 C12 C13 112.5(3) . .
N3 C12 C11 110.9(3) . .
C13 C12 C11 110.4(4) . .
N3 C12 H39 107.6 . .
C13 C12 H39 107.6 . .
C11 C12 H39 107.6 . .
O6 C13 O5 123.0(4) . .
O6 C13 C12 118.5(4) . .
O5 C13 C12 118.5(4) . .
C11 C14 H40 109.5 . .
C11 C14 H41 109.5 . .
H40 C14 H41 109.5 . .
C11 C14 H42 109.5 . .
H40 C14 H42 109.5 . .
H41 C14 H42 109.5 . .
C11 C15 H43 109.5 . .
C11 C15 H44 109.5 . .
H43 C15 H44 109.5 . .
C11 C15 H45 109.5 . .
H43 C15 H45 109.5 . .
H44 C15 H45 109.5 . .
C19 C16 C20 113.8(4) . .
C19 C16 C17 111.6(4) . .
C20 C16 C17 108.7(3) . .
C19 C16 S4 109.6(3) . .
C20 C16 S4 108.5(3) . .
C17 C16 S4 104.1(3) . .
N4 C17 C18 112.1(4) . .
N4 C17 C16 108.3(3) . .
C18 C17 C16 110.3(4) . .
N4 C17 H46 108.7 . .
C18 C17 H46 108.7 . .
C16 C17 H46 108.7 . .
O8 C18 O7 126.2(5) . .
O8 C18 C17 117.7(5) . .
O7 C18 C17 116.0(4) . .
C16 C19 H47 109.5 . .
C16 C19 H48 109.5 . .
H47 C19 H48 109.5 . .
C16 C19 H49 109.5 . .
H47 C19 H49 109.5 . .
H48 C19 H49 109.5 . .
C16 C20 H50 109.5 . .
C16 C20 H51 109.5 . .
H50 C20 H51 109.5 . .
C16 C20 H52 109.5 . .
H50 C20 H52 109.5 . .
H51 C20 H52 109.5 . .
C25 C21 C24 110.1(4) . .
C25 C21 C22 111.8(4) . .
C24 C21 C22 111.8(4) . .
C25 C21 S5 113.0(3) . .
C24 C21 S5 106.5(3) . .
C22 C21 S5 103.5(3) . .
N5 C22 C23 110.0(4) . .
N5 C22 C21 108.6(3) . .
C23 C22 C21 115.7(4) . .
N5 C22 H53 107.4 . .
C23 C22 H53 107.4 . .
C21 C22 H53 107.4 . .
O10 C23 O9 126.0(4) . .
O10 C23 C22 118.5(5) . .
O9 C23 C22 114.9(4) . .
C21 C24 H54 109.5 . .
C21 C24 H55 109.5 . .
H54 C24 H55 109.5 . .
C21 C24 H56 109.5 . .
H54 C24 H56 109.5 . .
H55 C24 H56 109.5 . .
C21 C25 H57 109.5 . .
C21 C25 H58 109.5 . .
H57 C25 H58 109.5 . .
C21 C25 H59 109.5 . .
H57 C25 H59 109.5 . .
H58 C25 H59 109.5 . .
C27 C26 C29 109.7(4) . .
C27 C26 C30 109.2(4) . .
C29 C26 C30 115.3(4) . .
C27 C26 S6 105.9(3) . .
C29 C26 S6 107.2(3) . .
C30 C26 S6 109.2(3) . .
N6 C27 C26 110.9(4) . .
N6 C27 C28 110.7(4) . .
C26 C27 C28 110.5(4) . .
N6 C27 H60 108.2 . .
C26 C27 H60 108.2 . .
C28 C27 H60 108.2 . .
O11 C28 O12 125.2(5) . .
O11 C28 C27 116.7(4) . .
O12 C28 C27 118.0(4) . .
C26 C29 H61 109.5 . .
C26 C29 H62 109.5 . .
H61 C29 H62 109.5 . .
C26 C29 H63 109.5 . .
H61 C29 H63 109.5 . .
H62 C29 H63 109.5 . .
C26 C30 H64 109.5 . .
C26 C30 H65 109.5 . .
H64 C30 H65 109.5 . .
C26 C30 H66 109.5 . .
H64 C30 H66 109.5 . .
H65 C30 H66 109.5 . .
C32 C31 C35 112.9(4) . .
C32 C31 C34 111.1(3) . .
C35 C31 C34 111.8(4) . .
C32 C31 S7 104.3(3) . .
C35 C31 S7 107.8(3) . .
C34 C31 S7 108.6(3) . .
N7 C32 C31 112.7(4) . .
N7 C32 C33 109.5(3) . .
C31 C32 C33 111.9(3) . .
N7 C32 H67 107.5 . .
C31 C32 H67 107.5 . .
C33 C32 H67 107.5 . .
O13 C33 O14 122.1(4) . .
O13 C33 C32 121.6(5) . .
O14 C33 C32 116.2(4) . .
C31 C34 H68 109.5 . .
C31 C34 H69 109.5 . .
H68 C34 H69 109.5 . .
C31 C34 H70 109.5 . .
H68 C34 H70 109.5 . .
H69 C34 H70 109.5 . .
C31 C35 H71 109.5 . .
C31 C35 H72 109.5 . .
H71 C35 H72 109.5 . .
C31 C35 H73 109.5 . .
H71 C35 H73 109.5 . .
H72 C35 H73 109.5 . .
C39 C36 C40 112.9(4) . .
C39 C36 C37 111.5(4) . .
C40 C36 C37 108.9(5) . .
C39 C36 S8 113.5(4) . .
C40 C36 S8 105.4(3) . .
C37 C36 S8 104.1(3) . .
N8 C37 C38 107.7(4) . .
N8 C37 C36 105.0(4) . .
C38 C37 C36 107.6(4) . .
N8 C37 H74 112.0 . .
C38 C37 H74 112.0 . .
C36 C37 H74 112.0 . .
O16 C38 O15 121.4(5) . .
O16 C38 C37 119.3(5) . .
O15 C38 C37 119.0(5) . .
O16 C38 La2 62.9(3) . 1_565
O15 C38 La2 58.5(3) . 1_565
C37 C38 La2 174.6(4) . 1_565
C36 C39 H75 109.5 . .
C36 C39 H76 109.5 . .
H75 C39 H76 109.5 . .
C36 C39 H77 109.5 . .
H75 C39 H77 109.5 . .
H76 C39 H77 109.5 . .
C36 C40 H78 109.5 . .
C36 C40 H79 109.5 . .
H78 C40 H79 109.5 . .
C36 C40 H80 109.5 . .
H78 C40 H80 109.5 . .
H79 C40 H80 109.5 . .
C45 C41 C44 109.3(4) . .
C45 C41 C42 109.1(4) . .
C44 C41 C42 112.8(5) . .
C45 C41 S9 112.1(4) . .
C44 C41 S9 109.6(3) . .
C42 C41 S9 103.9(3) . .
N9 C42 C43 108.0(4) . .
N9 C42 C41 108.8(5) . .
C43 C42 C41 113.0(5) . .
N9 C42 H81 109.0 . .
C43 C42 H81 109.0 . .
C41 C42 H81 109.0 . .
O17 C43 O18 118.8(6) . .
O17 C43 C42 121.3(6) . .
O18 C43 C42 119.9(5) . .
C41 C44 H82 109.5 . .
C41 C44 H83 109.5 . .
H82 C44 H83 109.5 . .
C41 C44 H84 109.5 . .
H82 C44 H84 109.5 . .
H83 C44 H84 109.5 . .
C41 C45 H85 109.5 . .
C41 C45 H86 109.5 . .
H85 C45 H86 109.5 . .
C41 C45 H87 109.5 . .
H85 C45 H87 109.5 . .
H86 C45 H87 109.5 . .
C47 C46 C50 112.7(5) . .
C47 C46 C49 109.2(4) . .
C50 C46 C49 108.7(5) . .
C47 C46 S10 107.7(4) . .
C50 C46 S10 110.6(3) . .
C49 C46 S10 107.7(4) . .
N10 C47 C46 111.6(5) . .
N10 C47 C48 112.6(4) . .
C46 C47 C48 113.6(5) . .
N10 C47 H88 106.1 . .
C46 C47 H88 106.1 . .
C48 C47 H88 106.1 . .
O19 C48 O20 122.0(6) . .
O19 C48 C47 121.0(7) . .
O20 C48 C47 116.9(5) . .
C46 C49 H89 109.5 . .
C46 C49 H90 109.5 . .
H89 C49 H90 109.5 . .
C46 C49 H91 109.5 . .
H89 C49 H91 109.5 . .
H90 C49 H91 109.5 . .
C46 C50 H92 109.5 . .
C46 C50 H93 109.5 . .
H92 C50 H93 109.5 . .
C46 C50 H94 109.5 . .
H92 C50 H94 109.5 . .
H93 C50 H94 109.5 . .
C54 C51 C55 111.3(5) . .
C54 C51 C52 111.8(4) . .
C55 C51 C52 106.5(4) . .
C54 C51 S11 111.8(3) . .
C55 C51 S11 109.8(4) . .
C52 C51 S11 105.4(3) . .
C53 C52 C51 117.4(5) . .
C53 C52 N11 106.3(5) . .
C51 C52 N11 108.4(4) . .
C53 C52 H95 108.1 . .
C51 C52 H95 108.1 . .
N11 C52 H95 108.1 . .
O22 C53 O21 119.2(5) . .
O22 C53 C52 118.0(5) . .
O21 C53 C52 122.5(5) . .
C51 C54 H96 109.5 . .
C51 C54 H97 109.5 . .
H96 C54 H97 109.5 . .
C51 C54 H98 109.5 . .
H96 C54 H98 109.5 . .
H97 C54 H98 109.5 . .
C51 C55 H99 109.5 . .
C51 C55 H100 109.5 . .
H99 C55 H100 109.5 . .
C51 C55 H101 109.5 . .
H99 C55 H101 109.5 . .
H100 C55 H101 109.5 . .
C57 C56 C60 116.5(5) . .
C57 C56 C59 116.5(5) . .
C60 C56 C59 101.4(5) . .
C57 C56 S12 105.0(4) . .
C60 C56 S12 109.0(4) . .
C59 C56 S12 108.2(4) . .
C58A C57 N12 104.1(6) . .
C58A C57 C56 120.3(8) . .
N12 C57 C56 106.2(5) . .
N12 C57 C58B 116.8(5) . .
C56 C57 C58B 97.1(7) . .
C58A C57 H102 108.5 . .
N12 C57 H102 108.5 . .
C56 C57 H102 108.5 . .
C58B C57 H102 118.0 . .
C58A C57 H103 102.3 . .
N12 C57 H103 111.9 . .
C56 C57 H103 111.9 . .
C58B C57 H103 111.9 . .
O23A C58A O24A 126.5(13) . .
O23A C58A C57 120.4(10) . .
O24A C58A C57 104.7(10) . .
O24B C58B O23B 133.4(14) . .
O24B C58B C57 118.5(11) . .
O23B C58B C57 107.7(9) . .
C56 C59 H104 109.5 . .
C56 C59 H105 109.5 . .
H104 C59 H105 109.5 . .
C56 C59 H106 109.5 . .
H104 C59 H106 109.5 . .
H105 C59 H106 109.5 . .
C56 C60 H107 109.5 . .
C56 C60 H108 109.5 . .
H107 C60 H108 109.5 . .
C56 C60 H109 109.5 . .
H107 C60 H109 109.5 . .
H108 C60 H109 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O1 2.493(6) .
La1 O25 2.518(8) .
La1 O27 2.549(12) .
La1 O12 2.587(4) 2_547
La1 O22 2.594(5) 2_647
La1 O29 2.684(10) .
La1 O28 2.711(7) .
La1 O26 2.770(5) .
La2 O41 2.436(9) .
La2 O6 2.440(3) .
La2 O33 2.466(9) .
La2 O9 2.514(3) 2_647
La2 O15 2.568(4) 1_545
La2 O31 2.576(6) .
La2 O30 2.588(6) .
La2 O32 2.666(5) .
La2 O16 2.673(4) 1_545
La2 C38 2.997(5) 1_545
Pd1 N1 2.060(4) .
Pd1 N2 2.112(4) .
Pd1 S1 2.2842(10) .
Pd1 S2 2.2976(13) .
Pd2 N4 2.074(3) .
Pd2 N3 2.085(3) .
Pd2 S4 2.2819(10) .
Pd2 S3 2.2918(10) .
Pd3 N5 2.089(3) .
Pd3 N6 2.106(4) .
Pd3 S6 2.2803(10) .
Pd3 S5 2.2912(11) .
Pd4 N8 2.059(3) .
Pd4 N7 2.093(4) .
Pd4 S7 2.2869(11) .
Pd4 S8 2.2968(11) .
Pd5 N10 2.034(5) .
Pd5 N9 2.089(5) .
Pd5 S10 2.2787(12) .
Pd5 S9 2.2945(10) .
Pd6 N11 2.060(4) .
Pd6 N12 2.073(5) .
Pd6 S11 2.2796(13) .
Pd6 S12 2.2802(11) .
Cu1 S7 2.2597(11) .
Cu1 S6 2.2611(11) .
Cu1 S1 2.2669(11) .
Cu2 S2 2.2857(12) .
Cu2 S7 2.2906(12) .
Cu2 S10 2.3029(13) .
Cu3 S2 2.3436(12) .
Cu3 S3 2.3470(11) .
Cu3 S9 2.3637(13) .
Cu3 Cl2 2.4054(14) .
Cu4 S3 2.2845(11) .
Cu4 S5 2.3105(10) .
Cu4 S1 2.3261(11) .
Cu4 Cl1 2.7576(12) .
Cu5 S6 2.2965(13) .
Cu5 S8 2.2969(12) .
Cu5 S11 2.3100(11) .
Cu5 Cl1 2.7025(12) .
Cu6 S12 2.2440(13) .
Cu6 S8 2.2665(14) .
Cu6 S10 2.2667(12) .
Cu7 S9 2.2937(11) .
Cu7 S4 2.3065(10) .
Cu7 S12 2.3120(12) .
Cu7 Cl1 2.7342(13) .
Cu8 S5 2.2797(12) .
Cu8 S11 2.2858(12) .
Cu8 S4 2.2882(12) .
S1 C1 1.894(5) .
S2 C6 1.894(5) .
S3 C11 1.901(4) .
S4 C16 1.885(4) .
S5 C21 1.887(4) .
S6 C26 1.882(5) .
S7 C31 1.892(4) .
S8 C36 1.871(4) .
S9 C41 1.865(5) .
S10 C46 1.824(5) .
S11 C51 1.877(4) .
S12 C56 1.882(6) .
O1 C3 1.209(8) .
O2 C3 1.236(8) .
O3 C8 1.261(8) .
O4 C8 1.290(8) .
O5 C13 1.269(5) .
O6 C13 1.242(6) .
O7 C18 1.295(7) .
O8 C18 1.192(6) .
O9 C23 1.286(7) .
O9 La2 2.514(3) 2_657
O10 C23 1.153(6) .
O11 C28 1.223(5) .
O12 C28 1.236(6) .
O12 La1 2.587(4) 2_557
O13 C33 1.186(6) .
O14 C33 1.272(7) .
O15 C38 1.307(8) .
O15 La2 2.568(4) 1_565
O16 C38 1.204(8) .
O16 La2 2.673(4) 1_565
O17 C43 1.186(8) .
O18 C43 1.253(8) .
O19 C48 1.219(8) .
O20 C48 1.330(10) .
O21 C53 1.252(6) .
O22 C53 1.224(7) .
O22 La1 2.594(5) 2_657
O23A C58A 1.289(15) .
O24A C58A 1.313(15) .
O24A H110 0.8400 .
O23B C58B 1.312(14) .
O24B C58B 1.141(14) .
O24B H111 0.8400 .
N1 C2 1.407(6) .
N1 H1 0.9200 .
N1 H2 0.9200 .
N2 C7 1.453(7) .
N2 H3 0.9200 .
N2 H4 0.9200 .
N3 C12 1.462(5) .
N3 H5 0.9200 .
N3 H6 0.9200 .
N4 C17 1.487(6) .
N4 H7 0.9200 .
N4 H8 0.9200 .
N5 C22 1.451(6) .
N5 H9 0.9200 .
N5 H10 0.9200 .
N6 C27 1.470(5) .
N6 H11 0.9200 .
N6 H12 0.9200 .
N7 C32 1.494(6) .
N7 H13 0.9200 .
N7 H14 0.9200 .
N8 C37 1.475(7) .
N8 H15 0.9200 .
N8 H16 0.9200 .
N9 C42 1.457(8) .
N9 H17 0.9200 .
N9 H18 0.9200 .
N10 C47 1.437(8) .
N10 H19 0.9200 .
N10 H20 0.9200 .
N11 C52 1.554(8) .
N11 H21 0.9200 .
N11 H22 0.9200 .
N12 C57 1.525(7) .
N12 H23 0.9200 .
N12 H24 0.9200 .
C1 C4 1.465(7) .
C1 C2 1.539(5) .
C1 C5 1.570(8) .
C2 C3 1.554(8) .
C2 H25 1.0000 .
C4 H26 0.9800 .
C4 H27 0.9800 .
C4 H28 0.9800 .
C5 H29 0.9800 .
C5 H30 0.9800 .
C5 H31 0.9800 .
C6 C7 1.536(7) .
C6 C10 1.562(8) .
C6 C9 1.595(7) .
C7 C8 1.533(7) .
C7 H32 1.0000 .
C9 H33 0.9800 .
C9 H34 0.9800 .
C9 H35 0.9800 .
C10 H36 0.9800 .
C10 H37 0.9800 .
C10 H38 0.9800 .
C11 C15 1.504(6) .
C11 C12 1.520(6) .
C11 C14 1.533(5) .
C12 C13 1.508(6) .
C12 H39 1.0000 .
C14 H40 0.9800 .
C14 H41 0.9800 .
C14 H42 0.9800 .
C15 H43 0.9800 .
C15 H44 0.9800 .
C15 H45 0.9800 .
C16 C19 1.510(7) .
C16 C20 1.564(6) .
C16 C17 1.607(6) .
C17 C18 1.559(6) .
C17 H46 1.0000 .
C19 H47 0.9800 .
C19 H48 0.9800 .
C19 H49 0.9800 .
C20 H50 0.9800 .
C20 H51 0.9800 .
C20 H52 0.9800 .
C21 C25 1.426(7) .
C21 C24 1.543(7) .
C21 C22 1.560(6) .
C22 C23 1.555(6) .
C22 H53 1.0000 .
C24 H54 0.9800 .
C24 H55 0.9800 .
C24 H56 0.9800 .
C25 H57 0.9800 .
C25 H58 0.9800 .
C25 H59 0.9800 .
C26 C27 1.526(7) .
C26 C29 1.526(6) .
C26 C30 1.553(6) .
C27 C28 1.569(7) .
C27 H60 1.0000 .
C29 H61 0.9800 .
C29 H62 0.9800 .
C29 H63 0.9800 .
C30 H64 0.9800 .
C30 H65 0.9800 .
C30 H66 0.9800 .
C31 C32 1.499(6) .
C31 C35 1.506(7) .
C31 C34 1.544(6) .
C32 C33 1.543(5) .
C32 H67 1.0000 .
C34 H68 0.9800 .
C34 H69 0.9800 .
C34 H70 0.9800 .
C35 H71 0.9800 .
C35 H72 0.9800 .
C35 H73 0.9800 .
C36 C39 1.372(9) .
C36 C40 1.556(8) .
C36 C37 1.626(6) .
C37 C38 1.557(7) .
C37 H74 1.0000 .
C38 La2 2.997(5) 1_565
C39 H75 0.9800 .
C39 H76 0.9800 .
C39 H77 0.9800 .
C40 H78 0.9800 .
C40 H79 0.9800 .
C40 H80 0.9800 .
C41 C45 1.458(8) .
C41 C44 1.536(7) .
C41 C42 1.548(6) .
C42 C43 1.519(9) .
C42 H81 1.0000 .
C44 H82 0.9800 .
C44 H83 0.9800 .
C44 H84 0.9800 .
C45 H85 0.9800 .
C45 H86 0.9800 .
C45 H87 0.9800 .
C46 C47 1.489(7) .
C46 C50 1.533(9) .
C46 C49 1.566(8) .
C47 C48 1.524(8) .
C47 H88 1.0000 .
C49 H89 0.9800 .
C49 H90 0.9800 .
C49 H91 0.9800 .
C50 H92 0.9800 .
C50 H93 0.9800 .
C50 H94 0.9800 .
C51 C54 1.480(6) .
C51 C55 1.503(8) .
C51 C52 1.542(7) .
C52 C53 1.466(7) .
C52 H95 1.0000 .
C54 H96 0.9800 .
C54 H97 0.9800 .
C54 H98 0.9800 .
C55 H99 0.9800 .
C55 H100 0.9800 .
C55 H101 0.9800 .
C56 C57 1.543(10) .
C56 C60 1.551(9) .
C56 C59 1.578(8) .
C57 C58A 1.461(17) .
C57 C58B 1.752(17) .
C57 H102 1.0000 .
C57 H103 1.0000 .
C59 H104 0.9800 .
C59 H105 0.9800 .
C59 H106 0.9800 .
C60 H107 0.9800 .
C60 H108 0.9800 .
C60 H109 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O24A H110 O17 0.84 1.67 2.492(11) 166.1 2_656
O24A H110 O18 0.84 2.39 3.045(11) 134.8 2_656
O24B H111 O18 0.84 1.77 2.499(10) 144.3 2_656
N1 H1 O7 0.92 2.26 3.169(4) 171.9 1_455
N1 H2 O25 0.92 2.57 3.464(13) 164.2 .
N2 H3 Cl3 0.92 2.30 3.171(7) 157.5 .
N3 H5 O45 0.92 1.93 2.850(12) 178.6 .
N3 H6 O11 0.92 2.22 2.992(4) 141.1 2_647
N4 H7 O11 0.92 2.08 2.945(5) 156.4 2_647
N4 H8 O38 0.92 2.22 3.117(8) 165.9 .
N5 H9 O5 0.92 1.93 2.794(5) 155.4 2_657
N5 H10 O35 0.92 2.12 2.965(7) 152.9 2_647
N6 H11 O36 0.92 2.25 3.134(8) 160.2 2_657
N6 H12 O5 0.92 2.15 2.817(4) 128.5 2_657
N7 H14 O55 0.92 2.39 3.310(11) 176.5 1_455
N8 H16 O40 0.92 2.43 3.327(8) 164.8 .
N9 H18 O47 0.92 2.29 3.133(11) 152.0 .
N10 H19 O48 0.92 2.52 3.294(12) 142.4 .
N10 H20 O52 0.92 2.09 2.966(11) 159.6 .
N11 H21 O14 0.92 2.07 2.862(6) 144.1 1_655
N11 H22 O44A 0.92 2.11 3.006(9) 164.1 .
N12 H23 O50A 0.92 2.12 2.982(12) 155.0 .
N12 H23 O44B 0.92 2.37 3.238(14) 156.9 .
N12 H24 O13 0.92 2.37 3.072(5) 133.0 1_655
O24A H110 O17 0.84 1.67 2.492(11) 166.1 2_656
O24A H110 O18 0.84 2.39 3.045(11) 134.8 2_656
O24B H111 O18 0.84 1.77 2.499(10) 144.3 2_656
N1 H1 O8 0.92 2.34 3.018(5) 130.4 1_455
O24A H110 O17 0.84 1.67 2.492(11) 166.1 2_656
O24A H110 O18 0.84 2.39 3.045(11) 134.8 2_656
O24B H111 O18 0.84 1.77 2.499(10) 144.3 2_656
O24A H110 O17 0.84 1.67 2.492(11) 166.1 2_656
O24A H110 O18 0.84 2.39 3.045(11) 134.8 2_656
O24B H111 O18 0.84 1.77 2.499(10) 144.3 2_656
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
S6 Cu5 Cl1 Cu7 -153.84(4) .
S8 Cu5 Cl1 Cu7 86.63(4) .
S11 Cu5 Cl1 Cu7 -32.93(4) .
S6 Cu5 Cl1 Cu4 -34.40(4) .
S8 Cu5 Cl1 Cu4 -153.94(4) .
S11 Cu5 Cl1 Cu4 86.50(5) .
S9 Cu7 Cl1 Cu5 -153.25(4) .
S4 Cu7 Cl1 Cu5 89.49(4) .
S12 Cu7 Cl1 Cu5 -30.48(4) .
S9 Cu7 Cl1 Cu4 84.81(4) .
S4 Cu7 Cl1 Cu4 -32.45(4) .
S12 Cu7 Cl1 Cu4 -152.43(4) .
S3 Cu4 Cl1 Cu5 -156.37(4) .
S5 Cu4 Cl1 Cu5 -28.51(4) .
S1 Cu4 Cl1 Cu5 87.87(4) .
S3 Cu4 Cl1 Cu7 -34.56(4) .
S5 Cu4 Cl1 Cu7 93.29(4) .
S1 Cu4 Cl1 Cu7 -150.32(4) .
S7 Cu1 S1 C1 -126.02(13) .
S6 Cu1 S1 C1 68.86(14) .
S7 Cu1 S1 Pd1 -6.42(8) .
S6 Cu1 S1 Pd1 -171.54(5) .
S7 Cu1 S1 Cu4 114.68(5) .
S6 Cu1 S1 Cu4 -50.44(6) .
N1 Pd1 S1 C1 8.24(17) .
S2 Pd1 S1 C1 -175.26(14) .
N1 Pd1 S1 Cu1 -119.50(10) .
S2 Pd1 S1 Cu1 57.00(6) .
N1 Pd1 S1 Cu4 128.44(10) .
S2 Pd1 S1 Cu4 -55.06(5) .
S3 Cu4 S1 C1 109.50(16) .
S5 Cu4 S1 C1 -64.26(17) .
Cl1 Cu4 S1 C1 -156.43(16) .
S3 Cu4 S1 Cu1 -128.27(4) .
S5 Cu4 S1 Cu1 57.97(5) .
Cl1 Cu4 S1 Cu1 -34.20(4) .
S3 Cu4 S1 Pd1 -3.31(6) .
S5 Cu4 S1 Pd1 -177.07(4) .
Cl1 Cu4 S1 Pd1 90.77(5) .
S7 Cu2 S2 C6 100.2(2) .
S10 Cu2 S2 C6 -76.0(2) .
S7 Cu2 S2 Pd1 -9.26(6) .
S10 Cu2 S2 Pd1 174.49(4) .
S7 Cu2 S2 Cu3 -136.59(4) .
S10 Cu2 S2 Cu3 47.16(6) .
N2 Pd1 S2 C6 16.2(2) .
S1 Pd1 S2 C6 -166.91(17) .
N2 Pd1 S2 Cu2 135.72(11) .
S1 Pd1 S2 Cu2 -47.35(5) .
N2 Pd1 S2 Cu3 -98.80(11) .
S1 Pd1 S2 Cu3 78.13(5) .
S3 Cu3 S2 C6 -142.47(19) .
S9 Cu3 S2 C6 99.76(19) .
Cl2 Cu3 S2 C6 -22.17(19) .
S3 Cu3 S2 Cu2 92.07(5) .
S9 Cu3 S2 Cu2 -25.71(5) .
Cl2 Cu3 S2 Cu2 -147.64(5) .
S3 Cu3 S2 Pd1 -35.37(5) .
S9 Cu3 S2 Pd1 -153.14(4) .
Cl2 Cu3 S2 Pd1 84.92(6) .
S5 Cu4 S3 C11 98.30(13) .
S1 Cu4 S3 C11 -74.64(13) .
Cl1 Cu4 S3 C11 -165.86(13) .
S5 Cu4 S3 Pd2 -9.36(7) .
S1 Cu4 S3 Pd2 177.70(4) .
Cl1 Cu4 S3 Pd2 86.48(4) .
S5 Cu4 S3 Cu3 -138.06(5) .
S1 Cu4 S3 Cu3 49.00(6) .
Cl1 Cu4 S3 Cu3 -42.23(5) .
N3 Pd2 S3 C11 18.87(16) .
S4 Pd2 S3 C11 -164.42(13) .
N3 Pd2 S3 Cu4 136.19(11) .
S4 Pd2 S3 Cu4 -47.10(5) .
N3 Pd2 S3 Cu3 -96.75(10) .
S4 Pd2 S3 Cu3 79.96(4) .
S2 Cu3 S3 C11 96.39(15) .
S9 Cu3 S3 C11 -145.66(15) .
Cl2 Cu3 S3 C11 -24.55(16) .
S2 Cu3 S3 Cu4 -28.42(6) .
S9 Cu3 S3 Cu4 89.53(5) .
Cl2 Cu3 S3 Cu4 -149.35(5) .
S2 Cu3 S3 Pd2 -156.10(4) .
S9 Cu3 S3 Pd2 -38.15(5) .
Cl2 Cu3 S3 Pd2 82.96(6) .
N4 Pd2 S4 C16 6.89(16) .
S3 Pd2 S4 C16 -176.68(14) .
N4 Pd2 S4 Cu8 -121.76(10) .
S3 Pd2 S4 Cu8 54.67(5) .
N4 Pd2 S4 Cu7 129.04(11) .
S3 Pd2 S4 Cu7 -54.53(5) .
S5 Cu8 S4 C16 -122.65(14) .
S11 Cu8 S4 C16 65.86(15) .
S5 Cu8 S4 Pd2 -0.33(6) .
S11 Cu8 S4 Pd2 -171.82(4) .
S5 Cu8 S4 Cu7 119.50(4) .
S11 Cu8 S4 Cu7 -51.99(5) .
S9 Cu7 S4 C16 111.39(14) .
S12 Cu7 S4 C16 -61.52(15) .
Cl1 Cu7 S4 C16 -154.19(14) .
S9 Cu7 S4 Pd2 -3.69(7) .
S12 Cu7 S4 Pd2 -176.61(5) .
Cl1 Cu7 S4 Pd2 90.72(5) .
S9 Cu7 S4 Cu8 -129.54(5) .
S12 Cu7 S4 Cu8 57.54(6) .
Cl1 Cu7 S4 Cu8 -35.13(4) .
S11 Cu8 S5 C21 -114.73(15) .
S4 Cu8 S5 C21 73.87(16) .
S11 Cu8 S5 Pd3 1.74(6) .
S4 Cu8 S5 Pd3 -169.65(4) .
S11 Cu8 S5 Cu4 121.13(4) .
S4 Cu8 S5 Cu4 -50.27(5) .
N5 Pd3 S5 C21 4.94(18) .
S6 Pd3 S5 C21 176.55(15) .
N5 Pd3 S5 Cu8 -119.12(11) .
S6 Pd3 S5 Cu8 52.49(5) .
N5 Pd3 S5 Cu4 136.88(11) .
S6 Pd3 S5 Cu4 -51.51(5) .
S3 Cu4 S5 C21 -58.7(2) .
S1 Cu4 S5 C21 114.16(19) .
Cl1 Cu4 S5 C21 -155.42(19) .
S3 Cu4 S5 Cu8 59.27(5) .
S1 Cu4 S5 Cu8 -127.82(4) .
Cl1 Cu4 S5 Cu8 -37.41(4) .
S3 Cu4 S5 Pd3 -179.73(4) .
S1 Cu4 S5 Pd3 -6.82(6) .
Cl1 Cu4 S5 Pd3 83.59(5) .
S7 Cu1 S6 C26 68.70(17) .
S1 Cu1 S6 C26 -126.24(16) .
S7 Cu1 S6 Pd3 -173.68(5) .
S1 Cu1 S6 Pd3 -8.61(7) .
S7 Cu1 S6 Cu5 -50.78(6) .
S1 Cu1 S6 Cu5 114.28(5) .
N6 Pd3 S6 C26 12.21(17) .
S5 Pd3 S6 C26 -172.44(14) .
N6 Pd3 S6 Cu1 -114.67(11) .
S5 Pd3 S6 Cu1 60.68(6) .
N6 Pd3 S6 Cu5 135.35(11) .
S5 Pd3 S6 Cu5 -49.30(5) .
S8 Cu5 S6 C26 -64.46(14) .
S11 Cu5 S6 C26 108.54(13) .
Cl1 Cu5 S6 C26 -158.32(13) .
S8 Cu5 S6 Cu1 57.49(6) .
S11 Cu5 S6 Cu1 -129.52(4) .
Cl1 Cu5 S6 Cu1 -36.37(4) .
S8 Cu5 S6 Pd3 -179.77(4) .
S11 Cu5 S6 Pd3 -6.77(7) .
Cl1 Cu5 S6 Pd3 86.37(5) .
S6 Cu1 S7 C31 -120.83(15) .
S1 Cu1 S7 C31 74.41(15) .
S6 Cu1 S7 Pd4 -6.30(7) .
S1 Cu1 S7 Pd4 -171.05(5) .
S6 Cu1 S7 Cu2 117.69(5) .
S1 Cu1 S7 Cu2 -47.07(6) .
N7 Pd4 S7 C31 6.29(18) .
S8 Pd4 S7 C31 -179.49(14) .
N7 Pd4 S7 Cu1 -115.20(12) .
S8 Pd4 S7 Cu1 59.01(6) .
N7 Pd4 S7 Cu2 134.92(12) .
S8 Pd4 S7 Cu2 -50.86(5) .
S2 Cu2 S7 C31 -60.82(16) .
S10 Cu2 S7 C31 115.57(16) .
S2 Cu2 S7 Cu1 56.99(5) .
S10 Cu2 S7 Cu1 -126.62(4) .
S2 Cu2 S7 Pd4 179.00(4) .
S10 Cu2 S7 Pd4 -4.61(6) .
S12 Cu6 S8 C36 69.68(15) .
S10 Cu6 S8 C36 -129.04(14) .
S12 Cu6 S8 Pd4 -169.86(5) .
S10 Cu6 S8 Pd4 -8.58(8) .
S12 Cu6 S8 Cu5 -48.58(6) .
S10 Cu6 S8 Cu5 112.70(5) .
N8 Pd4 S8 C36 10.4(2) .
S7 Pd4 S8 C36 -172.35(18) .
N8 Pd4 S8 Cu6 -119.00(13) .
S7 Pd4 S8 Cu6 58.21(6) .
N8 Pd4 S8 Cu5 131.26(13) .
S7 Pd4 S8 Cu5 -51.53(5) .
S6 Cu5 S8 C36 106.77(18) .
S11 Cu5 S8 C36 -66.32(18) .
Cl1 Cu5 S8 C36 -160.04(18) .
S6 Cu5 S8 Cu6 -130.44(5) .
S11 Cu5 S8 Cu6 56.47(5) .
Cl1 Cu5 S8 Cu6 -37.25(4) .
S6 Cu5 S8 Pd4 -7.03(7) .
S11 Cu5 S8 Pd4 179.87(4) .
Cl1 Cu5 S8 Pd4 86.15(5) .
S4 Cu7 S9 C41 -73.28(18) .
S12 Cu7 S9 C41 99.44(18) .
Cl1 Cu7 S9 C41 -165.75(17) .
S4 Cu7 S9 Pd5 178.39(5) .
S12 Cu7 S9 Pd5 -8.89(8) .
Cl1 Cu7 S9 Pd5 85.92(5) .
S4 Cu7 S9 Cu3 48.38(6) .
S12 Cu7 S9 Cu3 -138.89(5) .
Cl1 Cu7 S9 Cu3 -44.08(5) .
N9 Pd5 S9 C41 16.7(2) .
S10 Pd5 S9 C41 -165.85(16) .
N9 Pd5 S9 Cu7 133.25(15) .
S10 Pd5 S9 Cu7 -49.30(6) .
N9 Pd5 S9 Cu3 -99.66(15) .
S10 Pd5 S9 Cu3 77.80(5) .
S2 Cu3 S9 C41 -145.43(13) .
S3 Cu3 S9 C41 96.21(13) .
Cl2 Cu3 S9 C41 -23.87(13) .
S2 Cu3 S9 Cu7 92.18(5) .
S3 Cu3 S9 Cu7 -26.18(6) .
Cl2 Cu3 S9 Cu7 -146.26(5) .
S2 Cu3 S9 Pd5 -36.05(6) .
S3 Cu3 S9 Pd5 -154.41(5) .
Cl2 Cu3 S9 Pd5 85.51(6) .
S12 Cu6 S10 C46 -124.3(2) .
S8 Cu6 S10 C46 74.0(2) .
S12 Cu6 S10 Pd5 -8.37(8) .
S8 Cu6 S10 Pd5 -170.11(5) .
S12 Cu6 S10 Cu2 112.68(6) .
S8 Cu6 S10 Cu2 -49.05(6) .
N10 Pd5 S10 C46 9.9(2) .
S9 Pd5 S10 C46 -175.98(18) .
N10 Pd5 S10 Cu6 -113.58(16) .
S9 Pd5 S10 Cu6 60.58(6) .
N10 Pd5 S10 Cu2 132.43(16) .
S9 Pd5 S10 Cu2 -53.42(5) .
S2 Cu2 S10 C46 110.2(2) .
S7 Cu2 S10 C46 -66.4(2) .
S2 Cu2 S10 Cu6 -127.93(5) .
S7 Cu2 S10 Cu6 55.52(5) .
S2 Cu2 S10 Pd5 -2.95(6) .
S7 Cu2 S10 Pd5 -179.50(4) .
N11 Pd6 S11 C51 9.62(18) .
S12 Pd6 S11 C51 -177.92(14) .
N11 Pd6 S11 Cu8 -118.12(13) .
S12 Pd6 S11 Cu8 54.35(5) .
N11 Pd6 S11 Cu5 135.73(13) .
S12 Pd6 S11 Cu5 -51.80(5) .
S5 Cu8 S11 C51 67.38(18) .
S4 Cu8 S11 C51 -121.26(17) .
S5 Cu8 S11 Pd6 -173.58(4) .
S4 Cu8 S11 Pd6 -2.22(6) .
S5 Cu8 S11 Cu5 -54.35(5) .
S4 Cu8 S11 Cu5 117.01(4) .
S6 Cu5 S11 C51 -64.04(18) .
S8 Cu5 S11 C51 108.96(18) .
Cl1 Cu5 S11 C51 -156.92(17) .
S6 Cu5 S11 Pd6 179.72(4) .
S8 Cu5 S11 Pd6 -7.29(7) .
Cl1 Cu5 S11 Pd6 86.83(5) .
S6 Cu5 S11 Cu8 57.29(6) .
S8 Cu5 S11 Cu8 -129.72(5) .
Cl1 Cu5 S11 Cu8 -35.60(4) .
S8 Cu6 S12 C56 -123.6(2) .
S10 Cu6 S12 C56 75.4(2) .
S8 Cu6 S12 Pd6 -8.97(8) .
S10 Cu6 S12 Pd6 -169.96(5) .
S8 Cu6 S12 Cu7 113.44(6) .
S10 Cu6 S12 Cu7 -47.54(6) .
N12 Pd6 S12 C56 11.4(2) .
S11 Pd6 S12 C56 -175.28(18) .
N12 Pd6 S12 Cu6 -112.52(13) .
S11 Pd6 S12 Cu6 60.78(6) .
N12 Pd6 S12 Cu7 138.34(13) .
S11 Pd6 S12 Cu7 -48.36(6) .
S9 Cu7 S12 C56 -63.37(17) .
S4 Cu7 S12 C56 109.16(17) .
Cl1 Cu7 S12 C56 -159.07(17) .
S9 Cu7 S12 Cu6 58.36(6) .
S4 Cu7 S12 Cu6 -129.12(5) .
Cl1 Cu7 S12 Cu6 -37.35(4) .
S9 Cu7 S12 Pd6 179.31(5) .
S4 Cu7 S12 Pd6 -8.17(8) .
Cl1 Cu7 S12 Pd6 83.60(5) .
O25 La1 O1 C3 -171(2) .
O27 La1 O1 C3 128(2) .
O12 La1 O1 C3 56(2) 2_547
O22 La1 O1 C3 -106(2) 2_647
O29 La1 O1 C3 -15(2) .
O28 La1 O1 C3 -42(2) .
O26 La1 O1 C3 121(2) .
O41 La2 O6 C13 -153.8(9) .
O33 La2 O6 C13 -84.3(9) .
O9 La2 O6 C13 53.6(9) 2_647
O15 La2 O6 C13 88.0(10) 1_545
O31 La2 O6 C13 -17.5(9) .
O30 La2 O6 C13 129.7(9) .
O32 La2 O6 C13 -160.7(10) .
O16 La2 O6 C13 -12.8(11) 1_545
C38 La2 O6 C13 37.6(12) 1_545
N2 Pd1 N1 C2 -164.5(3) .
S1 Pd1 N1 C2 18.7(3) .
N1 Pd1 N2 C7 -169.6(3) .
S2 Pd1 N2 C7 14.1(3) .
N4 Pd2 N3 C12 -176.3(3) .
S3 Pd2 N3 C12 7.4(3) .
N3 Pd2 N4 C17 -159.6(3) .
S4 Pd2 N4 C17 23.8(3) .
N6 Pd3 N5 C22 -157.5(3) .
S5 Pd3 N5 C22 27.4(3) .
N5 Pd3 N6 C27 -173.2(3) .
S6 Pd3 N6 C27 15.2(3) .
N8 Pd4 N7 C32 -161.3(3) .
S7 Pd4 N7 C32 21.6(3) .
N7 Pd4 N8 C37 -163.1(3) .
S8 Pd4 N8 C37 22.8(3) .
N10 Pd5 N9 C42 -172.3(4) .
S9 Pd5 N9 C42 13.6(4) .
N9 Pd5 N10 C47 -167.0(4) .
S10 Pd5 N10 C47 15.8(4) .
N12 Pd6 N11 C52 -167.3(3) .
S11 Pd6 N11 C52 19.6(3) .
N11 Pd6 N12 C57 -168.2(4) .
S12 Pd6 N12 C57 19.7(4) .
Cu1 S1 C1 C4 -138.9(3) .
Pd1 S1 C1 C4 92.0(3) .
Cu4 S1 C1 C4 -28.7(4) .
Cu1 S1 C1 C2 98.0(3) .
Pd1 S1 C1 C2 -31.1(3) .
Cu4 S1 C1 C2 -151.9(3) .
Cu1 S1 C1 C5 -19.9(3) .
Pd1 S1 C1 C5 -149.0(3) .
Cu4 S1 C1 C5 90.2(3) .
Pd1 N1 C2 C1 -47.0(4) .
Pd1 N1 C2 C3 -168.7(3) .
C4 C1 C2 N1 -71.0(5) .
C5 C1 C2 N1 164.2(4) .
S1 C1 C2 N1 50.5(4) .
C4 C1 C2 C3 52.1(5) .
C5 C1 C2 C3 -72.6(5) .
S1 C1 C2 C3 173.7(3) .
La1 O1 C3 O2 5(3) .
La1 O1 C3 C2 -167(2) .
N1 C2 C3 O1 15.7(5) .
C1 C2 C3 O1 -108.6(5) .
N1 C2 C3 O2 -157.4(4) .
C1 C2 C3 O2 78.2(5) .
Cu2 S2 C6 C7 -163.5(3) .
Pd1 S2 C6 C7 -44.2(4) .
Cu3 S2 C6 C7 73.4(4) .
Cu2 S2 C6 C10 74.0(4) .
Pd1 S2 C6 C10 -166.8(3) .
Cu3 S2 C6 C10 -49.1(3) .
Cu2 S2 C6 C9 -42.5(4) .
Pd1 S2 C6 C9 76.7(4) .
Cu3 S2 C6 C9 -165.6(3) .
Pd1 N2 C7 C8 -165.1(3) .
Pd1 N2 C7 C6 -47.2(4) .
C10 C6 C7 N2 176.1(4) .
C9 C6 C7 N2 -57.9(5) .
S2 C6 C7 N2 60.0(4) .
C10 C6 C7 C8 -65.3(6) .
C9 C6 C7 C8 60.7(5) .
S2 C6 C7 C8 178.6(4) .
N2 C7 C8 O3 12.3(7) .
C6 C7 C8 O3 -104.5(6) .
N2 C7 C8 O4 -158.9(5) .
C6 C7 C8 O4 84.3(6) .
Cu4 S3 C11 C15 76.9(3) .
Pd2 S3 C11 C15 -165.9(3) .
Cu3 S3 C11 C15 -47.2(4) .
Cu4 S3 C11 C12 -160.58(19) .
Pd2 S3 C11 C12 -43.3(2) .
Cu3 S3 C11 C12 75.4(2) .
Cu4 S3 C11 C14 -41.2(3) .
Pd2 S3 C11 C14 76.0(3) .
Cu3 S3 C11 C14 -165.3(2) .
Pd2 N3 C12 C13 -164.1(3) .
Pd2 N3 C12 C11 -39.9(4) .
C15 C11 C12 N3 172.3(4) .
C14 C11 C12 N3 -60.0(4) .
S3 C11 C12 N3 55.5(3) .
C15 C11 C12 C13 -62.3(5) .
C14 C11 C12 C13 65.4(4) .
S3 C11 C12 C13 -179.1(3) .
La2 O6 C13 O5 -41.7(13) .
La2 O6 C13 C12 138.1(7) .
N3 C12 C13 O6 -143.7(5) .
C11 C12 C13 O6 91.8(5) .
N3 C12 C13 O5 36.0(6) .
C11 C12 C13 O5 -88.4(5) .
Pd2 S4 C16 C19 86.3(3) .
Cu8 S4 C16 C19 -141.4(3) .
Cu7 S4 C16 C19 -35.8(3) .
Pd2 S4 C16 C20 -148.9(3) .
Cu8 S4 C16 C20 -16.5(3) .
Cu7 S4 C16 C20 89.1(3) .
Pd2 S4 C16 C17 -33.2(3) .
Cu8 S4 C16 C17 99.2(3) .
Cu7 S4 C16 C17 -155.3(2) .
Pd2 N4 C17 C18 -174.6(3) .
Pd2 N4 C17 C16 -52.7(4) .
C19 C16 C17 N4 -63.5(5) .
C20 C16 C17 N4 170.1(4) .
S4 C16 C17 N4 54.6(4) .
C19 C16 C17 C18 59.5(5) .
C20 C16 C17 C18 -66.9(5) .
S4 C16 C17 C18 177.6(3) .
N4 C17 C18 O8 -165.1(5) .
C16 C17 C18 O8 74.1(6) .
N4 C17 C18 O7 19.7(6) .
C16 C17 C18 O7 -101.1(5) .
Cu8 S5 C21 C25 -145.7(3) .
Pd3 S5 C21 C25 87.6(3) .
Cu4 S5 C21 C25 -41.0(4) .
Cu8 S5 C21 C24 -24.8(3) .
Pd3 S5 C21 C24 -151.4(3) .
Cu4 S5 C21 C24 79.9(3) .
Cu8 S5 C21 C22 93.2(3) .
Pd3 S5 C21 C22 -33.4(3) .
Cu4 S5 C21 C22 -162.1(2) .
Pd3 N5 C22 C23 173.6(3) .
Pd3 N5 C22 C21 -58.8(4) .
C25 C21 C22 N5 -61.9(5) .
C24 C21 C22 N5 174.2(4) .
S5 C21 C22 N5 60.0(4) .
C25 C21 C22 C23 62.3(5) .
C24 C21 C22 C23 -61.6(5) .
S5 C21 C22 C23 -175.8(3) .
La2 O9 C23 O10 38.3(10) 2_657
La2 O9 C23 C22 -132.5(4) 2_657
N5 C22 C23 O10 -166.8(6) .
C21 C22 C23 O10 69.7(7) .
N5 C22 C23 O9 4.7(6) .
C21 C22 C23 O9 -118.8(5) .
Cu1 S6 C26 C27 89.2(3) .
Pd3 S6 C26 C27 -37.5(3) .
Cu5 S6 C26 C27 -162.7(2) .
Cu1 S6 C26 C29 -153.8(2) .
Pd3 S6 C26 C29 79.5(3) .
Cu5 S6 C26 C29 -45.7(3) .
Cu1 S6 C26 C30 -28.2(4) .
Pd3 S6 C26 C30 -154.9(3) .
Cu5 S6 C26 C30 79.9(3) .
Pd3 N6 C27 C26 -45.6(4) .
Pd3 N6 C27 C28 -168.7(3) .
C29 C26 C27 N6 -60.7(5) .
C30 C26 C27 N6 172.0(4) .
S6 C26 C27 N6 54.6(4) .
C29 C26 C27 C28 62.4(4) .
C30 C26 C27 C28 -64.8(4) .
S6 C26 C27 C28 177.8(3) .
La1 O12 C28 O11 -120.0(7) 2_557
La1 O12 C28 C27 64.1(9) 2_557
N6 C27 C28 O11 27.6(6) .
C26 C27 C28 O11 -95.7(5) .
N6 C27 C28 O12 -156.1(5) .
C26 C27 C28 O12 80.6(6) .
Cu1 S7 C31 C32 90.9(3) .
Pd4 S7 C31 C32 -32.8(3) .
Cu2 S7 C31 C32 -162.2(2) .
Cu1 S7 C31 C35 -29.3(3) .
Pd4 S7 C31 C35 -153.0(3) .
Cu2 S7 C31 C35 77.6(3) .
Cu1 S7 C31 C34 -150.6(3) .
Pd4 S7 C31 C34 85.7(3) .
Cu2 S7 C31 C34 -43.7(3) .
Pd4 N7 C32 C31 -52.9(3) .
Pd4 N7 C32 C33 -178.2(3) .
C35 C31 C32 N7 173.1(3) .
C34 C31 C32 N7 -60.4(4) .
S7 C31 C32 N7 56.4(3) .
C35 C31 C32 C33 -62.8(4) .
C34 C31 C32 C33 63.6(5) .
S7 C31 C32 C33 -179.6(3) .
N7 C32 C33 O13 28.8(6) .
C31 C32 C33 O13 -97.0(5) .
N7 C32 C33 O14 -149.2(4) .
C31 C32 C33 O14 85.0(5) .
Cu6 S8 C36 C39 -147.4(3) .
Pd4 S8 C36 C39 83.3(3) .
Cu5 S8 C36 C39 -39.3(4) .
Cu6 S8 C36 C40 -23.4(4) .
Pd4 S8 C36 C40 -152.6(3) .
Cu5 S8 C36 C40 84.7(4) .
Cu6 S8 C36 C37 91.2(3) .
Pd4 S8 C36 C37 -38.1(4) .
Cu5 S8 C36 C37 -160.8(3) .
Pd4 N8 C37 C38 -167.5(3) .
Pd4 N8 C37 C36 -53.0(4) .
C39 C36 C37 N8 -65.4(5) .
C40 C36 C37 N8 169.4(4) .
S8 C36 C37 N8 57.4(4) .
C39 C36 C37 C38 49.2(6) .
C40 C36 C37 C38 -76.0(6) .
S8 C36 C37 C38 172.0(4) .
La2 O16 C38 O15 -1.2(5) 1_565
La2 O16 C38 C37 -174.4(4) 1_565
La2 O15 C38 O16 1.2(5) 1_565
La2 O15 C38 C37 174.5(4) 1_565
N8 C37 C38 O16 -175.1(5) .
C36 C37 C38 O16 72.1(6) .
N8 C37 C38 O15 11.5(6) .
C36 C37 C38 O15 -101.3(5) .
Cu7 S9 C41 C45 -43.5(3) .
Pd5 S9 C41 C45 74.0(3) .
Cu3 S9 C41 C45 -165.3(3) .
Cu7 S9 C41 C44 78.1(3) .
Pd5 S9 C41 C44 -164.4(3) .
Cu3 S9 C41 C44 -43.6(3) .
Cu7 S9 C41 C42 -161.1(3) .
Pd5 S9 C41 C42 -43.6(4) .
Cu3 S9 C41 C42 77.1(4) .
Pd5 N9 C42 C43 -170.4(4) .
Pd5 N9 C42 C41 -47.4(5) .
C45 C41 C42 N9 -59.5(6) .
C44 C41 C42 N9 178.9(4) .
S9 C41 C42 N9 60.3(5) .
C45 C41 C42 C43 60.5(7) .
C44 C41 C42 C43 -61.2(6) .
S9 C41 C42 C43 -179.8(4) .
N9 C42 C43 O17 19.3(8) .
C41 C42 C43 O17 -101.2(7) .
N9 C42 C43 O18 -162.2(6) .
C41 C42 C43 O18 77.3(8) .
Cu6 S10 C46 C47 92.7(4) .
Pd5 S10 C46 C47 -33.4(4) .
Cu2 S10 C46 C47 -153.7(3) .
Cu6 S10 C46 C50 -30.9(5) .
Pd5 S10 C46 C50 -157.0(4) .
Cu2 S10 C46 C50 82.7(5) .
Cu6 S10 C46 C49 -149.6(3) .
Pd5 S10 C46 C49 84.3(4) .
Cu2 S10 C46 C49 -36.0(4) .
Pd5 N10 C47 C46 -43.3(5) .
Pd5 N10 C47 C48 -172.4(4) .
C50 C46 C47 N10 172.3(4) .
C49 C46 C47 N10 -66.7(5) .
S10 C46 C47 N10 50.0(5) .
C50 C46 C47 C48 -59.0(6) .
C49 C46 C47 C48 61.9(7) .
S10 C46 C47 C48 178.6(4) .
N10 C47 C48 O19 26.4(9) .
C46 C47 C48 O19 -101.7(8) .
N10 C47 C48 O20 -150.1(6) .
C46 C47 C48 O20 81.9(7) .
Pd6 S11 C51 C54 84.1(4) .
Cu8 S11 C51 C54 -147.1(3) .
Cu5 S11 C51 C54 -40.2(4) .
Pd6 S11 C51 C55 -151.8(4) .
Cu8 S11 C51 C55 -23.0(4) .
Cu5 S11 C51 C55 83.8(4) .
Pd6 S11 C51 C52 -37.5(3) .
Cu8 S11 C51 C52 91.3(3) .
Cu5 S11 C51 C52 -161.9(3) .
C54 C51 C52 C53 55.7(6) .
C55 C51 C52 C53 -66.0(6) .
S11 C51 C52 C53 177.4(4) .
C54 C51 C52 N11 -64.7(5) .
C55 C51 C52 N11 173.6(4) .
S11 C51 C52 N11 57.0(5) .
Pd6 N11 C52 C53 -177.5(3) .
Pd6 N11 C52 C51 -50.4(5) .
La1 O22 C53 O21 -46.1(8) 2_657
La1 O22 C53 C52 139.1(5) 2_657
C51 C52 C53 O22 74.6(7) .
N11 C52 C53 O22 -163.9(6) .
C51 C52 C53 O21 -100.0(7) .
N11 C52 C53 O21 21.5(8) .
Cu6 S12 C56 C57 82.9(3) .
Pd6 S12 C56 C57 -40.7(3) .
Cu7 S12 C56 C57 -167.4(2) .
Cu6 S12 C56 C60 -151.6(3) .
Pd6 S12 C56 C60 84.9(4) .
Cu7 S12 C56 C60 -41.8(4) .
Cu6 S12 C56 C59 -42.2(5) .
Pd6 S12 C56 C59 -165.7(4) .
Cu7 S12 C56 C59 67.6(5) .
Pd6 N12 C57 C58A -179.7(7) .
Pd6 N12 C57 C56 -51.7(5) .
Pd6 N12 C57 C58B -158.7(7) .
C60 C56 C57 C58A 56.3(9) .
C59 C56 C57 C58A -63.4(8) .
S12 C56 C57 C58A 177.0(6) .
C60 C56 C57 N12 -61.3(7) .
C59 C56 C57 N12 179.0(5) .
S12 C56 C57 N12 59.4(5) .
C60 C56 C57 C58B 59.4(7) .
C59 C56 C57 C58B -60.3(7) .
S12 C56 C57 C58B -180.0(5) .
N12 C57 C58A O23A 17.4(14) .
C56 C57 C58A O23A -101.3(12) .
C58B C57 C58A O23A -109(2) .
N12 C57 C58A O24A -132.6(8) .
C56 C57 C58A O24A 108.7(9) .
C58B C57 C58A O24A 101.2(18) .
C58A C57 C58B O24B -110(2) .
N12 C57 C58B O24B -171.0(11) .
C56 C57 C58B O24B 76.8(13) .
C58A C57 C58B O23B 63.9(16) .
N12 C57 C58B O23B 2.7(13) .
C56 C57 C58B O23B -109.5(9) .
