#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/19/7111991.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_7111991
loop_
_publ_author_name
'Jamie M. Cameron'
'Jing Gao'
'Laia Vila-Nadal'
'De-Liang Long'
'Leroy Cronin'
_publ_section_title
;
 Formation, self-assembly and transformation of a transient
 selenotungstate building block into clusters, chains and macrocycles
;
_journal_name_full               Chem.Commun.
_journal_page_first              2155
_journal_paper_doi               10.1039/c3cc49293a
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'H134 N12 O184 Pd6 Se6 W39'
_chemical_formula_weight         11529.49
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.1962(6)
_cell_length_b                   35.7662(6)
_cell_length_c                   21.6486(4)
_cell_measurement_reflns_used    14349
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.0
_cell_measurement_theta_min      2.81
_cell_volume                     23380.6(7)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
;
_computing_molecular_graphics    Diamond3
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Gemini A Ultra CCD'
_diffrn_measurement_method       'ω & π scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1068
_diffrn_reflns_av_unetI/netI     0.0632
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            95297
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.708
_diffrn_reflns_theta_min         2.811
_diffrn_source                   'the Enhance sealed tube'
_exptl_absorpt_coefficient_mu    20.573
_exptl_absorpt_correction_T_max  0.377
_exptl_absorpt_correction_T_min  0.164
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.275
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             20224
_exptl_crystal_size_max          0.153
_exptl_crystal_size_mid          0.129
_exptl_crystal_size_min          0.084
_refine_diff_density_max         3.88
_refine_diff_density_min         -2.54
_refine_diff_density_rms         0.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         11646
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0958
_refine_ls_R_factor_gt           0.0628
_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)+(0.0799P)²+1983.5994P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1574
_refine_ls_wR_factor_ref         0.1799
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8218
_reflns_number_total             11646
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c3cc49293a.txt
_cod_data_source_block           jg5691
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_secondary' value 'diffmap' was changed to
'difmap'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_database_code               7111991
_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   0.145
_shelx_estimated_absorpt_t_max   0.277
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.28768(3) 0.04516(3) 0.66309(4) 0.0311(2) Uani 0.93 1 d . . P A 1
W1' W 0.3216(5) 0.0453(4) 0.6634(7) 0.046(3) Uiso 0.07 1 d . . P B 2
W2 W 0.31833(3) 0.17742(2) 0.59076(4) 0.0325(2) Uani 1 1 d . . . A 1
W3 W 0.37658(4) 0.08596(3) 0.59195(4) 0.0307(2) Uani 0.93 1 d . . P A 1
W3' W 0.3979(5) 0.0963(4) 0.5890(6) 0.032(3) Uiso 0.07 1 d . . P C 2
W4 W 0.23996(3) 0.24007(2) 0.67230(4) 0.0365(2) Uani 1 1 d . . . A 1
W5 W 0.33615(3) 0.40047(3) 0.67216(4) 0.0366(2) Uani 1 1 d . . . A 1
W6 W 0.22849(4) 0.13881(3) 0.66329(4) 0.0309(2) Uani 0.94 1 d . . P A 1
W7 W 0.39335(3) -0.00434(3) 0.67237(4) 0.0345(2) Uani 0.94 1 d D . P A 1
W6' W 0.2462(8) 0.1297(6) 0.6623(11) 0.051(7) Uiso 0.06 1 d . . P D 2
W7' W 0.4291(5) 0.0108(5) 0.6723(9) 0.056(5) Uiso 0.06 1 d D . P E 2
W8 W 0.43691(3) 0.45676(2) 0.66330(4) 0.0338(2) Uani 1 1 d . . . A 1
W9 W 0.43844(3) 0.37149(3) 0.59200(4) 0.0400(2) Uani 1 1 d . . . A 1
W10 W 0.5000 0.00525(5) 0.7500 0.0426(5) Uani 1 4 d S T P A 1
W11 W 0.30100(5) 0.31511(4) 0.7500 0.0426(3) Uani 1 2 d S T P A 1
Pd1 Pd 0.29884(14) 0.31725(12) 0.50762(19) 0.0269(9) Uani 0.35 1 d . . P F 1
Pd2 Pd 0.5000 0.0000 0.5000 0.0181(7) Uani 0.8 4 d S T P G 1
Pd3 Pd 0.15415(10) 0.04731(8) 0.7500 0.0323(7) Uani 0.74 2 d DS T P H 1
Pd4 Pd 0.5000 0.2928(3) 0.6432(6) 0.040(3) Uani 0.2 2 d S T P A 1
Pd5 Pd 0.4087(6) 0.2260(5) 0.6600(9) 0.031(4) Uiso 0.1 1 d . . P A 1
Pd6 Pd 0.5000 0.5000 0.5000 0.026(4) Uiso 0.2 4 d S . P I 1
Pd5' Pd 0.4207(8) 0.2214(6) 0.6403(12) 0.033(5) Uiso 0.08 1 d . . P J 2
Pd6' Pd 0.5000 0.5143(7) 0.5072(10) 0.024(4) Uiso 0.1 2 d S . P K 2
Pd7 Pd 0.3607(4) 0.2909(4) 0.5093(6) 0.035(3) Uani 0.2 1 d . . P L 2
Se1 Se 0.32036(9) 0.18144(7) 0.7500 0.0257(6) Uani 1 2 d S T P A 1
Se2' Se 0.4007(19) 0.0963(11) 0.7500 0.050(11) Uani 0.1 2 d S T P M 2
Se2 Se 0.38073(12) 0.08438(10) 0.7500 0.0213(7) Uani 0.9 2 d S T P A 1
Se3 Se 0.43507(10) 0.36863(8) 0.7500 0.0303(6) Uani 1 2 d S T P A 1
O1 O 0.4557(5) -0.0015(4) 0.6856(7) 0.041(4) Uiso 1 1 d . . . A 1
O2 O 0.3744(5) 0.4417(4) 0.6775(6) 0.035(3) Uani 1 1 d . . . A 1
O3 O 0.2976(5) 0.4179(5) 0.6224(7) 0.045(4) Uani 1 1 d . . . A 1
O4 O 0.3109(6) 0.4162(5) 0.7500 0.032(5) Uani 1 2 d S T P A 1
O5 O 0.3756(5) 0.3773(4) 0.6187(7) 0.038(3) Uani 1 1 d . . . A 1
O6 O 0.3795(7) 0.3777(5) 0.7500 0.035(5) Uani 1 2 d S T P A 1
O7 O 0.4522(5) 0.3962(3) 0.6864(6) 0.032(3) Uani 1 1 d . . . A 1
O8 O 0.4408(8) 0.4647(7) 0.7500 0.049(6) Uani 1 2 d S T P A 1
O9 O 0.4259(5) 0.5009(4) 0.6358(7) 0.041(4) Uani 1 1 d . . . A 1
O10 O 0.5000 0.4596(6) 0.6607(10) 0.037(5) Uani 1 2 d S T P A 1
O11 O 0.4346(4) 0.4286(4) 0.5904(6) 0.033(3) Uani 1 1 d . . . A 1
O12 O 0.5000 0.3806(6) 0.5811(10) 0.039(5) Uani 1 2 d S T P A 1
O13 O 0.4251(6) 0.3619(5) 0.5161(7) 0.052(4) Uani 1 1 d . . . A 1
O14 O 0.4432(6) 0.3280(4) 0.6285(8) 0.057(5) Uani 1 1 d . . . A 1
O15 O 0.3097(5) 0.3524(4) 0.6873(7) 0.043(4) Uani 1 1 d . . . A 1
O16 O 0.2745(5) 0.2832(4) 0.6874(7) 0.037(4) Uani 1 1 d . . . A 1
O17 O 0.3531(8) 0.2974(7) 0.7500 0.057(7) Uani 1 2 d S T P A 1
O18 O 0.2306(8) 0.3395(7) 0.7500 0.064(7) Uani 1 2 d S T P A 1
O20 O 0.2117(7) 0.2506(7) 0.7500 0.046(6) Uani 1 2 d S T P A 1
O21 O 0.2823(5) 0.2212(3) 0.6191(6) 0.034(3) Uani 1 1 d . . . A 1
O22 O 0.2865(6) 0.2195(5) 0.7500 0.030(4) Uani 1 2 d S T P A 1
O23 O 0.2157(5) 0.1907(4) 0.6777(6) 0.035(3) Uani 1 1 d . . . A 1
O24 O 0.1766(5) 0.1270(4) 0.6354(7) 0.040(4) Uani 1 1 d . . . A 1
O25 O 0.2219(7) 0.1326(6) 0.7500 0.039(5) Uani 1 2 d S T P A 1
O26 O 0.2565(4) 0.1540(4) 0.5912(7) 0.033(3) Uani 1 1 d . . . A 1
O27 O 0.2992(4) 0.1572(3) 0.6883(6) 0.027(3) Uani 1 1 d . . . A 1
O28 O 0.3214(5) 0.1922(4) 0.5142(7) 0.042(4) Uani 1 1 d . . . A 1
O29 O 0.3659(5) 0.1955(4) 0.6261(7) 0.040(4) Uani 1 1 d . . . A 1
O30 O 0.3391(5) 0.1279(4) 0.5801(7) 0.037(3) Uani 1 1 d . . . A 1
O32 O 0.2553(5) 0.0904(4) 0.6588(6) 0.035(3) Uani 1 1 d . . . A 1
O33 O 0.2471(5) 0.0142(4) 0.6359(7) 0.043(4) Uani 1 1 d . . . A 1
O34 O 0.2773(7) 0.0436(6) 0.7500 0.038(5) Uani 1 2 d S T P A 1
O35 O 0.3188(5) 0.0563(4) 0.5909(7) 0.039(4) Uani 1 1 d . . . A 1
O36 O 0.3328(5) 0.0061(4) 0.6768(7) 0.038(4) Uani 1 1 d . . . A 1
O37 O 0.3459(5) 0.0840(4) 0.6883(6) 0.033(3) Uani 1 1 d . . . A 1
O38 O 0.3938(6) 0.0808(4) 0.5161(6) 0.046(4) Uani 1 1 d . . . A 1
O39 O 0.3997(5) 0.0369(4) 0.6192(6) 0.041(4) Uani 1 1 d . . . A 1
O40 O 0.3931(6) -0.0412(4) 0.6208(7) 0.050(4) Uani 1 1 d . . . A 1
O41 O 0.3886(8) -0.0311(6) 0.7500 0.044(5) Uani 1 2 d S T P A 1
O42 O 0.3984(7) 0.0393(5) 0.7500 0.033(5) Uani 1 2 d S T P A 1
O43 O 0.5000 0.0532(10) 0.7500 0.070(11) Uani 1 4 d S T P A 1
O44 O 0.5000 -0.0604(9) 0.7500 0.057(9) Uani 1 4 d S T P A 1
O49 O 0.2033(5) 0.2600(4) 0.6209(7) 0.044(4) Uani 1 1 d . . . A 1
O50 O 0.1205(12) 0.0957(10) 0.7500 0.107(12) Uani 1 2 d S T P H 1
O51 O 0.1549(7) 0.0467(6) 0.6562(10) 0.079(6) Uani 1 1 d . . . H 1
O52 O 0.1864(10) -0.0017(6) 0.7500 0.066(9) Uiso 0.8 2 d DS . P H 1
O53 O 0.5000 0.0353(12) 0.5738(16) 0.106(13) Uani 1 2 d S T P G 1
O54 O 0.4325(7) 0.0000 0.5000 0.053(6) Uani 1 2 d S T P G 1
O55 O 0.2661(13) 0.2652(9) 0.502(2) 0.072(12) Uani 0.5 1 d . . P F 1
O56 O 0.4447(9) 0.2750(7) 0.6558(13) 0.066(7) Uiso 0.7 1 d . . P A 1
O57 O 0.3257(12) 0.3674(10) 0.5015(18) 0.061(10) Uiso 0.5 1 d . . P F 1
O58 O 0.2497(9) 0.3346(7) 0.5773(12) 0.076(7) Uiso 0.8 1 d . . P F 1
O59 O 0.4204(5) 0.1100(4) 0.6265(8) 0.049(4) Uiso 1 1 d . . . A 1
O60 O 0.4393(9) 0.1876(7) 0.6509(13) 0.061(7) Uiso 0.7 1 d . . P A 1
O61 O 0.5000 0.3074(14) 0.476(3) 0.064(14) Uiso 0.5 2 d S . P N 1
O62 O 0.3631(15) 0.2787(12) 0.609(2) 0.088(13) Uiso 0.5 1 d . . P O 1
O63 O 0.3585(15) 0.2935(11) 0.4914(18) 0.002(10) Uiso 0.4 1 d . . P F 1
O64 O 0.1559(13) 0.4231(11) 0.5669(19) 0.024(9) Uiso 0.3 1 d . . P P 1
N1 N 0.150(3) 0.320(2) 0.695(4) 0.06(2) Uiso 0.3 1 d . . P Q 1
N2 N 0.3109(16) 0.4389(13) 0.491(2) 0.069(13) Uiso 0.5 1 d . . P R 1
N3 N 0.1270(13) 0.1924(10) 0.7500 0.056(10) Uiso 0.8 2 d S . P S 1
N4 N 0.2146(12) 0.3976(10) 0.5677(18) 0.043(9) Uiso 0.5 1 d . . P T 1
N5 N 0.4247(19) 0.4035(15) 0.394(3) 0.036(14) Uiso 0.3 1 d . . P U 1
N6 N 0.5000 0.1313(16) 0.690(3) 0.035(14) Uiso 0.4 2 d S . P V 1
N7 N 0.318(2) 0.0157(16) 0.478(3) 0.041(15) Uiso 0.3 1 d . . P W 1
O65 O 0.2361(9) 0.4064(7) 0.5058(13) 0.033(6) Uiso 0.5 1 d . . P X 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
W W -0.8490 6.8722 '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'
Se Se -0.0929 2.2259 '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'
N N 0.0061 0.0033 '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
O33 W1 O35 101.9(7) . .
O33 W1 O32 99.4(7) . .
O35 W1 O32 92.1(6) . .
O33 W1 O34 101.5(8) . .
O35 W1 O34 156.1(7) . .
O32 W1 O34 89.3(8) . .
O33 W1 O36 94.9(6) . .
O35 W1 O36 86.0(6) . .
O32 W1 O36 165.7(6) . .
O34 W1 O36 86.8(8) . .
O33 W1 O37 173.1(6) . .
O35 W1 O37 71.7(5) . .
O32 W1 O37 83.7(5) . .
O34 W1 O37 84.8(7) . .
O36 W1 O37 82.3(5) . .
O28 W2 O29 105.1(7) . .
O28 W2 O30 98.7(6) . .
O29 W2 O30 97.3(7) . .
O28 W2 O21 94.7(6) . .
O29 W2 O21 91.3(6) . .
O30 W2 O21 161.6(6) . .
O28 W2 O26 100.2(7) . .
O29 W2 O26 153.8(6) . .
O30 W2 O26 85.3(6) . .
O21 W2 O26 79.9(6) . .
O28 W2 O27 168.5(6) . .
O29 W2 O27 85.5(6) . .
O30 W2 O27 84.3(5) . .
O21 W2 O27 80.2(5) . .
O26 W2 O27 68.9(5) . .
O38 W3 O59 103.3(8) . .
O38 W3 O30 97.7(7) . .
O59 W3 O30 97.0(7) . .
O38 W3 O39 94.8(6) . .
O59 W3 O39 92.4(7) . .
O30 W3 O39 162.2(6) . .
O38 W3 O35 101.0(7) . .
O59 W3 O35 155.2(7) . .
O30 W3 O35 84.2(6) . .
O39 W3 O35 81.0(6) . .
O38 W3 O37 169.9(6) . .
O59 W3 O37 86.1(7) . .
O30 W3 O37 84.6(5) . .
O39 W3 O37 81.0(5) . .
O35 W3 O37 69.4(5) . .
O49 W4 O21 101.1(7) . .
O49 W4 O16 97.4(6) . .
O21 W4 O16 91.4(6) . .
O49 W4 O23 100.0(6) . .
O21 W4 O23 88.1(6) . .
O16 W4 O23 162.3(6) . .
O49 W4 O20 101.4(8) . .
O21 W4 O20 157.4(7) . .
O16 W4 O20 86.3(8) . .
O23 W4 O20 87.5(8) . .
O49 W4 O22 172.5(6) . .
O21 W4 O22 85.2(6) . .
O16 W4 O22 78.4(6) . .
O23 W4 O22 84.0(6) . .
O20 W4 O22 72.3(7) . .
O3 W5 O5 102.0(7) . .
O3 W5 O2 99.9(7) . .
O5 W5 O2 89.6(6) . .
O3 W5 O15 98.6(7) . .
O5 W5 O15 88.5(7) . .
O2 W5 O15 161.3(6) . .
O3 W5 O4 100.1(7) . .
O5 W5 O4 157.9(7) . .
O2 W5 O4 87.8(7) . .
O15 W5 O4 87.0(7) . .
O3 W5 O6 171.3(7) . .
O5 W5 O6 86.1(6) . .
O2 W5 O6 83.2(6) . .
O15 W5 O6 78.1(6) . .
O4 W5 O6 71.8(6) . .
O24 W6 O26 101.0(7) . .
O24 W6 O25 102.7(8) . .
O26 W6 O25 155.9(8) . .
O24 W6 O32 98.3(7) . .
O26 W6 O32 91.7(6) . .
O25 W6 O32 89.3(7) . .
O24 W6 O23 96.3(7) . .
O26 W6 O23 86.9(6) . .
O25 W6 O23 86.1(7) . .
O32 W6 O23 165.3(6) . .
O24 W6 O27 173.0(6) . .
O26 W6 O27 72.0(5) . .
O25 W6 O27 84.2(7) . .
O32 W6 O27 83.0(5) . .
O23 W6 O27 82.7(5) . .
O40 W7 O36 100.4(7) . .
O40 W7 O39 101.8(7) . .
O36 W7 O39 88.6(6) . .
O40 W7 O1 98.1(7) . .
O36 W7 O1 161.4(6) . .
O39 W7 O1 87.1(7) . .
O40 W7 O41 100.6(8) . .
O36 W7 O41 88.9(8) . .
O39 W7 O41 157.6(7) . .
O1 W7 O41 88.2(8) . .
O40 W7 O42 172.2(7) . .
O36 W7 O42 83.8(7) . .
O39 W7 O42 84.7(6) . .
O1 W7 O42 77.8(7) . .
O41 W7 O42 72.9(7) . .
O9 W8 O11 101.3(7) . .
O9 W8 O8 102.5(9) . .
O11 W8 O8 156.0(8) . .
O9 W8 O10 97.7(8) . .
O11 W8 O10 92.4(8) . .
O8 W8 O10 87.7(10) . .
O9 W8 O2 96.8(6) . .
O11 W8 O2 87.0(6) . .
O8 W8 O2 86.9(8) . .
O10 W8 O2 165.3(7) . .
O9 W8 O7 172.5(6) . .
O11 W8 O7 71.3(5) . .
O8 W8 O7 85.0(8) . .
O10 W8 O7 81.6(7) . .
O2 W8 O7 84.3(6) . .
O13 W9 O14 105.8(8) . .
O13 W9 O12 98.2(9) . .
O14 W9 O12 97.4(9) . .
O13 W9 O5 94.3(7) . .
O14 W9 O5 92.2(7) . .
O12 W9 O5 161.4(7) . .
O13 W9 O11 99.7(7) . .
O14 W9 O11 154.1(6) . .
O12 W9 O11 83.2(7) . .
O5 W9 O11 81.2(5) . .
O13 W9 O7 168.3(7) . .
O14 W9 O7 85.7(6) . .
O12 W9 O7 82.3(7) . .
O5 W9 O7 82.7(6) . .
O11 W9 O7 68.7(5) . .
O43 W10 O1 97.1(5) . .
O43 W10 O1 97.1(5) . 3_656
O1 W10 O1 165.7(9) . 3_656
O43 W10 O1 97.1(5) . 12_655
O1 W10 O1 86.8(9) . 12_655
O1 W10 O1 91.4(9) 3_656 12_655
O43 W10 O1 97.1(5) . 10_557
O1 W10 O1 91.4(9) . 10_557
O1 W10 O1 86.8(9) 3_656 10_557
O1 W10 O1 165.7(9) 12_655 10_557
O43 W10 O44 180.0 . .
O1 W10 O44 82.9(5) . .
O1 W10 O44 82.9(5) 3_656 .
O1 W10 O44 82.9(5) 12_655 .
O1 W10 O44 82.9(5) 10_557 .
O17 W11 O15 97.6(8) . .
O17 W11 O15 97.6(8) . 10_557
O15 W11 O15 89.9(9) . 10_557
O17 W11 O16 99.4(8) . .
O15 W11 O16 88.3(6) . .
O15 W11 O16 163.0(7) 10_557 .
O17 W11 O16 99.4(8) . 10_557
O15 W11 O16 163.0(7) . 10_557
O15 W11 O16 88.3(6) 10_557 10_557
O16 W11 O16 88.4(8) . 10_557
O17 W11 O18 179.6(11) . .
O15 W11 O18 82.1(7) . .
O15 W11 O18 82.1(7) 10_557 .
O16 W11 O18 80.9(7) . .
O16 W11 O18 80.9(7) 10_557 .
O57 Pd1 O63 90.2(16) . .
O57 Pd1 O55 172.0(16) . .
O63 Pd1 O55 92.1(16) . .
O57 Pd1 O58 93.9(13) . .
O63 Pd1 O58 146.8(13) . .
O55 Pd1 O58 88.4(12) . .
O53 Pd2 O53 180.0 9_656 .
O53 Pd2 O54 90.000(2) 9_656 .
O53 Pd2 O54 90.000(2) . .
O53 Pd2 O54 90.000(2) 9_656 9_656
O53 Pd2 O54 90.000(2) . 9_656
O54 Pd2 O54 180.0 . 9_656
O52 Pd3 O50 178.7(14) . .
O52 Pd3 O51 89.1(6) . .
O50 Pd3 O51 90.9(6) . .
O52 Pd3 O51 89.1(6) . 10_557
O50 Pd3 O51 90.9(6) . 10_557
O51 Pd3 O51 178.2(14) . 10_557
O56 Pd4 O56 135.1(18) . 12_655
O56 Pd4 O14 164.7(11) . 12_655
O56 Pd4 O14 59.4(10) 12_655 12_655
O56 Pd4 O14 59.4(10) . .
O56 Pd4 O14 164.7(11) 12_655 .
O14 Pd4 O14 105.7(10) 12_655 .
O60 Pd5 O29 81.6(12) . .
O60 Pd5 O56 113.7(15) . .
O29 Pd5 O56 148.6(13) . .
O22 Se1 O27 100.4(6) . 10_557
O22 Se1 O27 100.4(6) . .
O27 Se1 O27 102.3(9) 10_557 .
O42 Se2 O37 100.8(6) . .
O42 Se2 O37 100.8(6) . 10_557
O37 Se2 O37 103.5(9) . 10_557
O6 Se3 O7 100.4(6) . .
O6 Se3 O7 100.4(6) . 10_557
O7 Se3 O7 102.1(8) . 10_557
W7 O1 W10 142.4(9) . .
W5 O2 W8 142.0(8) . .
W5 O4 W5 121.3(10) 10_557 .
W5 O5 W9 146.9(8) . .
Se3 O6 W5 129.1(5) . .
Se3 O6 W5 129.1(5) . 10_557
W5 O6 W5 95.1(7) . 10_557
Se3 O7 W9 115.5(6) . .
Se3 O7 W8 130.0(7) . .
W9 O7 W8 97.8(5) . .
W8 O8 W8 161.4(14) . 10_557
W8 O10 W8 173.0(12) . 12_655
W8 O11 W9 121.4(7) . .
W9 O12 W9 155.5(13) . 12_655
W9 O14 Pd4 130.7(10) . .
W11 O15 W5 142.9(8) . .
W4 O16 W11 145.7(8) . .
W4 O20 W4 121.9(11) 10_557 .
W4 O21 W2 148.4(7) . .
Se1 O22 W4 128.3(5) . .
Se1 O22 W4 128.3(5) . 10_557
W4 O22 W4 93.3(7) . 10_557
W4 O23 W6 143.4(8) . .
W6 O25 W6 161.9(12) 10_557 .
W6 O26 W2 122.6(7) . .
Se1 O27 W6 132.3(7) . .
Se1 O27 W2 117.5(6) . .
W6 O27 W2 96.1(5) . .
W2 O29 Pd5 165.3(11) . .
W2 O30 W3 157.1(9) . .
W1 O32 W6 171.7(8) . .
W1 O34 W1 160.9(12) . 10_557
W1 O35 W3 122.1(7) . .
W7 O36 W1 143.9(8) . .
Se2 O37 W3 117.8(7) . .
Se2 O37 W1 131.5(7) . .
W3 O37 W1 96.4(5) . .
W7 O39 W3 147.4(9) . .
W7 O41 W7 120.2(11) 10_557 .
Se2 O42 W7 128.6(5) . .
Se2 O42 W7 128.6(5) . 10_557
W7 O42 W7 94.0(7) . 10_557
O55 O55 Pd1 166(4) 13_556 .
Pd4 O56 Pd5 142.3(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O33 1.753(15) .
W1 O35 1.867(15) .
W1 O32 1.894(15) .
W1 O34 1.908(4) .
W1 O36 1.974(14) .
W1 O37 2.306(14) .
W2 O28 1.743(14) .
W2 O29 1.750(14) .
W2 O30 1.894(13) .
W2 O21 2.002(13) .
W2 O26 2.047(13) .
W2 O27 2.305(13) .
W3 O38 1.732(13) .
W3 O59 1.746(16) .
W3 O30 1.896(14) .
W3 O39 1.977(15) .
W3 O35 2.042(15) .
W3 O37 2.284(13) .
W4 O49 1.724(15) .
W4 O21 1.850(14) .
W4 O16 1.892(14) .
W4 O23 1.914(14) .
W4 O20 1.924(10) .
W4 O22 2.312(13) .
W5 O3 1.704(14) .
W5 O5 1.857(14) .
W5 O2 1.878(14) .
W5 O15 1.923(15) .
W5 O4 1.933(9) .
W5 O6 2.284(14) .
W6 O24 1.732(14) .
W6 O26 1.857(13) .
W6 O25 1.901(3) .
W6 O32 1.913(15) .
W6 O23 1.923(14) .
W6 O27 2.299(13) .
W7 O40 1.729(15) .
W7 O36 1.870(15) .
W7 O39 1.882(14) .
W7 O1 1.906(15) .
W7 O41 1.939(11) .
W7 O42 2.299(13) .
W8 O9 1.718(14) .
W8 O11 1.874(13) .
W8 O8 1.902(4) .
W8 O10 1.9085(16) .
W8 O2 1.986(14) .
W8 O7 2.271(12) .
W9 O13 1.725(15) .
W9 O14 1.751(17) .
W9 O12 1.902(5) .
W9 O5 1.993(15) .
W9 O11 2.045(14) .
W9 O7 2.265(13) .
W10 O43 1.71(4) .
W10 O1 1.948(16) .
W10 O1 1.948(16) 3_656
W10 O1 1.948(16) 12_655
W10 O1 1.948(16) 10_557
W10 O44 2.35(3) .
W11 O17 1.70(2) .
W11 O15 1.922(14) .
W11 O15 1.922(14) 10_557
W11 O16 1.943(15) .
W11 O16 1.943(15) 10_557
W11 O18 2.30(3) .
Pd1 O57 1.97(4) .
Pd1 O63 2.02(4) .
Pd1 O55 2.11(4) .
Pd1 O58 2.20(3) .
Pd2 O53 2.04(4) 9_656
Pd2 O53 2.04(4) .
Pd2 O54 2.04(2) .
Pd2 O54 2.04(2) 9_656
Pd3 O52 2.004(18) .
Pd3 O50 2.01(4) .
Pd3 O51 2.03(2) .
Pd3 O51 2.03(2) 10_557
Pd4 O56 1.81(3) .
Pd4 O56 1.81(3) 12_655
Pd4 O14 2.152(18) 12_655
Pd4 O14 2.152(18) .
Pd5 O60 1.67(3) .
Pd5 O29 1.84(2) .
Pd5 O56 2.07(3) .
Pd6' Pd6' 1.07(5) 9_666
Se1 O22 1.702(19) .
Se1 O27 1.716(12) 10_557
Se1 O27 1.716(12) .
Se2 O42 1.698(19) .
Se2 O37 1.700(15) .
Se2 O37 1.700(15) 10_557
Se3 O6 1.71(2) .
Se3 O7 1.771(14) .
Se3 O7 1.771(14) 10_557
O4 W5 1.933(9) 10_557
O6 W5 2.284(14) 10_557
O8 W8 1.902(4) 10_557
O10 W8 1.9085(15) 12_655
O12 W9 1.902(5) 12_655
O20 W4 1.924(11) 10_557
O22 W4 2.312(13) 10_557
O25 W6 1.901(3) 10_557
O34 W1 1.908(4) 10_557
O41 W7 1.939(11) 10_557
O42 W7 2.299(13) 10_557
O55 O55 1.46(8) 13_556
N7 N7 1.47(12) 4_556
