#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:11:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179443 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/40/4334047.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_4334047
loop_
_publ_author_name
'Tomohisa Hirano'
'Kazuhiro Uehara'
'Sayaka Uchida'
'Mitsuhiro Hibino'
'Keigo Kamata'
'Noritaka Mizuno'
_publ_contact_author_address
;
Department of Applied Chemistry, School of Engineering
The University of Tokyo
7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)
;
_publ_contact_author_email       tmizuno@mail.ecc.u-tokyo.ac.jp
_publ_contact_author_fax         (+)81-3-5841-7220
_publ_contact_author_name        'Noritaka Mizuno'
_publ_contact_author_phone       (+)81-3-5841-7272
_publ_section_title
;
 Synthesis and Structural Characterization of Inorganic-Organic-Inorganic
 Hybrids of Dipalladium-Substituted γ-Keggin Silicodecatungstates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2662
_journal_page_last               2670
_journal_paper_doi               10.1021/ic302703k
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C560 Cl8 N32 O320 Pd16 Si8 W80'
_chemical_formula_sum            'C140 Cl2 N8 O80 Pd4 Si2 V0 W20'
_chemical_formula_weight         7303.16
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             2013-01-27T15:36:17-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 112.7141(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.4333(2)
_cell_length_b                   26.6216(2)
_cell_length_c                   31.2528(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    153
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     23356.7(3)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      153
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details
;
scan:
    Number of images: 360
               Slice: -110.0000 - 70.0000
         Image width: 0.5000
            Exp time: 3.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 0.0000
                 XTD: 44.9897
              2theta: -20.0244
scan:
    Number of images: 360
               Slice: -110.0000 - 70.0000
         Image width: 0.5000
            Exp time: 3.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 90.0000
                 XTD: 44.9897
              2theta: -20.0244

;
_diffrn_measurement_device       'Rigaku MicroMax-007'
_diffrn_measurement_device_details
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_method       dtfind.ref
_diffrn_radiation_detector       Saturn724
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            64719
_diffrn_reflns_theta_full        29.6
_diffrn_reflns_theta_max         29.6
_diffrn_reflns_theta_min         0.71
_diffrn_source_current           24.0000
_diffrn_source_power             1.20000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    10.203
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.077
_exptl_crystal_description       block
_exptl_crystal_F_000             13048
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_platon_squeeze_details
;
;
_refine_diff_density_max         4.57
_refine_diff_density_min         -6.636
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1698
_refine_ls_number_reflns         64719
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.163
_refine_ls_R_factor_gt           0.0809
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1610P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2746
_reflns_number_gt                40481
_reflns_number_total             64719
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302703k_si_003_3.cif
_cod_data_source_block           IIIA
_cod_database_code               4334047
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'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_calc_flag
_atom_site_refinement_flags
W1 W 0.04135(2) 0.23008(2) 0.42808(2) 0.04759(15) Uani 1 d .
W2 W 0.00363(2) 0.28699(3) 0.32803(2) 0.04756(15) Uani 1 d .
W3 W 0.21163(2) 0.34138(2) 0.48846(2) 0.04904(15) Uani 1 d .
W4 W 0.17441(2) 0.40078(2) 0.38989(2) 0.04793(15) Uani 1 d .
W5 W 0.16809(2) 0.21533(2) 0.49847(2) 0.04144(13) Uani 1 d .
W6 W 0.086215(19) 0.34669(2) 0.284315(18) 0.03888(12) Uani 1 d .
W7 W 0.13157(2) 0.15452(2) 0.39872(2) 0.04876(15) Uani 1 d .
W8 W 0.08996(2) 0.22320(2) 0.28556(2) 0.04612(14) Uani 1 d .
W9 W 0.23347(2) 0.22013(2) 0.43558(2) 0.04601(14) Uani 1 d .
W10 W 0.19113(2) 0.29072(2) 0.32353(2) 0.04400(14) Uani 1 d .
W11 W 0.21210(2) 0.66478(3) 0.99416(2) 0.05507(17) Uani 1 d .
W12 W 0.13728(3) 0.75105(2) 0.99766(2) 0.0617(2) Uani 1 d .
W13 W 0.234436(19) 0.60798(2) 1.176939(18) 0.03876(12) Uani 1 d .
W14 W 0.16454(2) 0.69845(2) 1.180825(19) 0.04226(13) Uani 1 d .
W15 W 0.300464(19) 0.61207(2) 1.09998(2) 0.04149(13) Uani 1 d .
W16 W 0.14658(2) 0.80951(2) 1.10609(2) 0.04851(15) Uani 1 d .
W17 W 0.31976(2) 0.72799(2) 1.07418(2) 0.05116(16) Uani 1 d .
W18 W 0.23709(3) 0.83122(2) 1.07540(2) 0.05589(17) Uani 1 d .
W19 W 0.33656(2) 0.69676(2) 1.18309(2) 0.05086(16) Uani 1 d .
W20 W 0.25589(2) 0.80209(2) 1.18532(2) 0.05101(15) Uani 1 d .
Pd1 Pd 0.01395(4) 0.35946(4) 0.42875(4) 0.0408(2) Uani 1 d .
Pd2 Pd 0.11313(4) 0.42360(4) 0.46600(4) 0.0432(2) Uani 1 d .
Pd3 Pd 0.10075(4) 0.62379(4) 1.00127(4) 0.0405(2) Uani 1 d .
Pd4 Pd 0.11212(4) 0.59642(4) 1.10732(4) 0.0408(2) Uani 1 d .
Cl1 Cl 0.1589(3) 0.3396(3) 0.0454(3) 0.117(2) Uiso 1 d .
Cl2 Cl 0.2703(3) 0.3159(3) 0.1153(3) 0.120(2) Uiso 1 d .
Si1 Si 0.12513(12) 0.28498(12) 0.39318(12) 0.0314(7) Uani 1 d .
Si2 Si 0.21967(12) 0.70707(13) 1.10133(12) 0.0351(7) Uani 1 d .
O1 O 0.0244(3) 0.2877(3) 0.4485(3) 0.042(2) Uani 1 d .
O2 O -0.0088(3) 0.3386(3) 0.3626(3) 0.041(2) Uani 1 d .
O3 O 0.1713(4) 0.3841(4) 0.5018(3) 0.049(2) Uani 1 d .
O4 O 0.1370(4) 0.4352(3) 0.4157(4) 0.047(2) Uani 1 d .
O5 O 0.1022(3) 0.2305(3) 0.4773(3) 0.042(2) Uani 1 d .
O6 O 0.0713(3) 0.2813(3) 0.3898(3) 0.0344(18) Uani 1 d .
O7 O 0.0356(3) 0.3348(4) 0.3042(4) 0.046(2) Uani 1 d .
O8 O 0.0131(4) 0.1863(4) 0.4488(4) 0.060(3) Uani 1 d .
O9 O -0.0058(3) 0.2360(3) 0.3674(4) 0.045(2) Uani 1 d .
O10 O -0.0513(4) 0.2858(4) 0.2831(4) 0.054(3) Uani 1 d .
O11 O 0.1848(3) 0.2841(4) 0.5078(3) 0.045(2) Uani 1 d .
O12 O 0.1536(3) 0.3345(3) 0.4202(3) 0.0356(18) Uani 1 d .
O13 O 0.1177(3) 0.3889(3) 0.3338(3) 0.041(2) Uani 1 d .
O14 O 0.2625(4) 0.3483(4) 0.5374(3) 0.052(3) Uani 1 d .
O15 O 0.2244(3) 0.3898(3) 0.4493(3) 0.041(2) Uani 1 d .
O16 O 0.1981(4) 0.4517(4) 0.3721(3) 0.052(2) Uani 1 d .
O17 O 0.1812(4) 0.1959(4) 0.5543(3) 0.056(3) Uani 1 d .
O18 O 0.0602(4) 0.3887(4) 0.2387(3) 0.050(2) Uani 1 d .
O19 O 0.0707(3) 0.1777(3) 0.3968(4) 0.046(2) Uani 1 d .
O20 O 0.2415(3) 0.2892(4) 0.4581(4) 0.045(2) Uani 1 d .
O21 O 0.0361(4) 0.2339(3) 0.3052(3) 0.044(2) Uani 1 d .
O22 O 0.2060(3) 0.3461(3) 0.3657(3) 0.040(2) Uani 1 d .
O23 O 0.1503(4) 0.1533(4) 0.4631(4) 0.050(2) Uani 1 d .
O24 O 0.2285(4) 0.2046(4) 0.4924(3) 0.050(2) Uani 1 d .
O25 O 0.0689(3) 0.2831(3) 0.2518(3) 0.042(2) Uani 1 d .
O26 O 0.1468(3) 0.3345(4) 0.2805(3) 0.045(2) Uani 1 d .
O27 O 0.1146(4) 0.1799(3) 0.3382(3) 0.045(2) Uani 1 d .
O28 O 0.1235(4) 0.0905(4) 0.3882(4) 0.061(3) Uani 1 d .
O29 O 0.0687(4) 0.1791(4) 0.2415(4) 0.060(3) Uani 1 d .
O30 O 0.2188(3) 0.2467(3) 0.3763(3) 0.0384(19) Uani 1 d .
O31 O 0.2914(4) 0.2015(4) 0.4493(3) 0.056(3) Uani 1 d .
O32 O 0.2368(4) 0.2936(4) 0.3027(4) 0.059(3) Uani 1 d .
O33 O 0.1986(3) 0.1580(3) 0.4095(4) 0.046(2) Uani 1 d .
O34 O 0.1539(3) 0.2356(3) 0.2880(3) 0.0361(18) Uani 1 d .
O35 O 0.1541(3) 0.2357(3) 0.4208(3) 0.0356(18) Uani 1 d .
O36 O 0.1239(3) 0.2863(3) 0.3402(3) 0.0366(19) Uani 1 d .
O37 O 0.0256(4) 0.3784(4) 0.4934(4) 0.056(3) Uani 1 d .
O38 O -0.0076(4) 0.4290(3) 0.4067(4) 0.050(2) Uani 1 d .
O39 O 0.0959(4) 0.4195(4) 0.5208(4) 0.055(3) Uani 1 d .
O40 O 0.0615(4) 0.4734(4) 0.4341(4) 0.062(3) Uani 1 d .
O41 O 0.1581(3) 0.6196(4) 0.9856(4) 0.050(2) Uani 1 d .
O42 O 0.0955(4) 0.6983(4) 0.9893(3) 0.051(2) Uani 1 d .
O43 O 0.1791(3) 0.5772(4) 1.1457(3) 0.044(2) Uani 1 d .
O44 O 0.1176(3) 0.6543(4) 1.1487(3) 0.047(2) Uani 1 d .
O45 O 0.2502(4) 0.6194(4) 1.0434(4) 0.050(2) Uani 1 d .
O46 O 0.1890(3) 0.7000(3) 1.0466(3) 0.0356(19) Uani 1 d .
O47 O 0.1241(4) 0.7755(4) 1.0488(3) 0.050(2) Uani 1 d .
O48 O 0.2244(4) 0.6413(4) 0.9486(3) 0.052(2) Uani 1 d .
O49 O 0.1687(4) 0.7177(4) 0.9630(3) 0.054(3) Uani 1 d .
O50 O 0.1033(5) 0.7895(4) 0.9561(4) 0.072(4) Uani 1 d .
O51 O 0.2616(4) 0.5949(3) 1.1316(3) 0.043(2) Uani 1 d .
O52 O 0.2015(3) 0.6752(3) 1.1346(3) 0.0357(18) Uani 1 d .
O53 O 0.1390(3) 0.7523(3) 1.1377(3) 0.041(2) Uani 1 d .
O54 O 0.2633(3) 0.5631(3) 1.2173(3) 0.043(2) Uani 1 d .
O55 O 0.2092(3) 0.6477(3) 1.2141(3) 0.041(2) Uani 1 d .
O56 O 0.1470(4) 0.7185(4) 1.2240(3) 0.051(2) Uani 1 d .
O57 O 0.3245(4) 0.5555(4) 1.0942(4) 0.051(2) Uani 1 d .
O58 O 0.0986(4) 0.8456(4) 1.1023(4) 0.073(4) Uani 1 d .
O59 O 0.2649(3) 0.7112(4) 1.0183(3) 0.044(2) Uani 1 d .
O60 O 0.1956(4) 0.7974(4) 1.0206(3) 0.055(3) Uani 1 d .
O61 O 0.2910(3) 0.6615(4) 1.2030(3) 0.042(2) Uani 1 d .
O62 O 0.2274(3) 0.7454(4) 1.2053(3) 0.045(2) Uani 1 d .
O63 O 0.3334(3) 0.6591(4) 1.0765(3) 0.045(2) Uani 1 d .
O64 O 0.3456(3) 0.6357(4) 1.1590(3) 0.046(2) Uani 1 d .
O65 O 0.1804(4) 0.8549(4) 1.0810(3) 0.052(3) Uani 1 d .
O66 O 0.1949(4) 0.8318(4) 1.1654(4) 0.049(2) Uani 1 d .
O67 O 0.2869(4) 0.7879(4) 1.0772(4) 0.052(3) Uani 1 d .
O68 O 0.3591(4) 0.7498(4) 1.0507(4) 0.059(3) Uani 1 d .
O69 O 0.2522(5) 0.8836(4) 1.0534(5) 0.077(4) Uani 1 d .
O70 O 0.3051(4) 0.7575(3) 1.1896(3) 0.044(2) Uani 1 d .
O71 O 0.3874(4) 0.6993(4) 1.2328(4) 0.058(3) Uani 1 d .
O72 O 0.2840(5) 0.8354(5) 1.2373(4) 0.067(3) Uani 1 d .
O73 O 0.3587(4) 0.7320(4) 1.1396(4) 0.053(3) Uani 1 d .
O74 O 0.2688(4) 0.8433(3) 1.1415(3) 0.051(3) Uani 1 d .
O75 O 0.2748(3) 0.6916(3) 1.1105(3) 0.038(2) Uani 1 d .
O76 O 0.2172(3) 0.7671(3) 1.1132(3) 0.042(2) Uani 1 d .
O77 O 0.1045(4) 0.5483(4) 1.0042(4) 0.050(2) Uani 1 d .
O78 O 0.0353(4) 0.6229(4) 1.0016(4) 0.056(3) Uani 1 d .
O79 O 0.1032(4) 0.5300(4) 1.0738(4) 0.051(2) Uani 1 d .
O80 O 0.0418(3) 0.6085(4) 1.0751(4) 0.053(3) Uani 1 d .
N1 N 0.1930(4) 0.4345(5) 0.2133(4) 0.048(3) Uiso 1 d .
N2 N 0.3724(5) 0.2655(6) 0.3939(5) 0.063(4) Uiso 1 d .
N3 N 0.7492(6) 0.6788(6) 0.3418(6) 0.071(4) Uiso 1 d .
N4 N -0.0099(6) 0.7484(7) 0.1336(6) 0.080(5) Uiso 1 d .
N5 N -0.0900(6) 0.8984(7) 0.3335(6) 0.081(5) Uiso 1 d .
N6 N -0.0813(7) 0.3468(7) 0.1648(7) 0.087(5) Uiso 1 d .
N7 N 0.1546(9) 1.0024(9) 0.0201(9) 0.119(7) Uiso 1 d .
N8 N 0.2306(7) 0.5471(7) 0.4911(6) 0.086(5) Uiso 1 d .
C1 C 0.0598(5) 0.4026(5) 0.5246(5) 0.043(3) Uiso 1 d .
C3 C 0.0497(5) 0.4152(5) 0.5676(5) 0.045(3) Uiso 1 d .
C4 C 0.0192(5) 0.4630(5) 0.5577(5) 0.044(3) Uiso 1 d .
C5 C 0.0105(6) 0.4822(6) 0.5998(5) 0.052(3) Uiso 1 d .
C2 C 0.0183(5) 0.4679(6) 0.4143(5) 0.047(3) Uiso 1 d .
C6 C 0.1018(5) 0.5191(5) 1.0339(5) 0.040(3) Uiso 1 d .
C8 C 0.0975(5) 0.4627(5) 1.0241(5) 0.047(3) Uiso 1 d .
C9 C 0.0409(6) 0.4516(6) 0.9962(6) 0.057(4) Uiso 1 d .
C10 C 0.0352(6) 0.3958(6) 0.9865(5) 0.052(4) Uiso 1 d .
C7 C 0.0194(6) 0.6136(6) 1.0334(6) 0.051(3) Uiso 1 d .
C101 C 0.2220(7) 0.4171(7) 0.2638(7) 0.070(5) Uiso 1 d .
C102 C 0.2560(7) 0.4575(8) 0.2968(7) 0.073(5) Uiso 1 d .
C103 C 0.2892(8) 0.4299(8) 0.3400(8) 0.080(6) Uiso 1 d .
C104 C 0.3190(12) 0.4663(12) 0.3745(11) 0.130(10) Uiso 1 d .
C105 C 0.1693(6) 0.4856(7) 0.2132(6) 0.061(4) Uiso 1 d .
C106 C 0.1372(9) 0.4839(9) 0.2426(8) 0.090(6) Uiso 1 d .
C107 C 0.1126(15) 0.5361(15) 0.2347(14) 0.147(13) Uiso 1 d .
C108 C 0.088(3) 0.554(3) 0.203(3) 0.16(2) Uiso 0.56(3) d P
C158 C 0.073(3) 0.525(4) 0.257(3) 0.16(2) Uiso 0.44(3) d P
C109 C 0.1568(6) 0.3949(6) 0.1908(5) 0.052(4) Uiso 1 d .
C110 C 0.1739(7) 0.3438(7) 0.1842(7) 0.072(5) Uiso 1 d .
C111 C 0.1299(13) 0.3045(13) 0.1639(12) 0.134(11) Uiso 1 d .
C112 C 0.1472(16) 0.2520(17) 0.1718(16) 0.182(16) Uiso 1 d .
C113 C 0.2285(6) 0.4413(6) 0.1887(6) 0.056(4) Uiso 1 d .
C114 C 0.2055(6) 0.4517(7) 0.1384(6) 0.061(4) Uiso 1 d .
C115 C 0.2441(7) 0.4629(7) 0.1210(6) 0.064(4) Uiso 1 d .
C116 C 0.2269(8) 0.4814(8) 0.0705(7) 0.076(5) Uiso 1 d .
C201 C 0.4188(7) 0.2505(7) 0.4371(7) 0.071(5) Uiso 1 d .
C202 C 0.4056(7) 0.2195(7) 0.4722(7) 0.065(4) Uiso 1 d .
C203 C 0.4522(8) 0.2213(8) 0.5159(8) 0.079(6) Uiso 1 d .
C204 C 0.4474(10) 0.1838(10) 0.5528(10) 0.106(8) Uiso 1 d .
C205 C 0.3458(6) 0.2188(6) 0.3706(6) 0.059(4) Uiso 1 d .
C206 C 0.3756(7) 0.1832(7) 0.3526(7) 0.069(5) Uiso 1 d .
C207 C 0.3448(10) 0.1381(10) 0.3221(9) 0.102(8) Uiso 1 d .
C208 C 0.3740(9) 0.1062(9) 0.3095(8) 0.088(6) Uiso 1 d .
C209 C 0.3368(8) 0.2932(8) 0.4065(8) 0.079(6) Uiso 1 d .
C210 C 0.3625(10) 0.3454(10) 0.4330(9) 0.102(8) Uiso 1 d .
C211 C 0.3373(13) 0.3698(14) 0.4617(13) 0.146(12) Uiso 1 d .
C212 C 0.360(2) 0.334(2) 0.503(2) 0.099(10) Uiso 0.46(3) d P
C262 C 0.3588(18) 0.3988(18) 0.4997(17) 0.099(10) Uiso 0.54(3) d P
C213 C 0.3911(7) 0.2954(7) 0.3625(6) 0.062(4) Uiso 1 d .
C214 C 0.3503(6) 0.3031(7) 0.3112(6) 0.061(4) Uiso 1 d .
C215 C 0.3752(11) 0.3339(11) 0.2841(11) 0.116(9) Uiso 1 d .
C216 C 0.341(3) 0.379(3) 0.253(3) 0.082(8) Uiso 0.29(3) d P
C266 C 0.3397(11) 0.3438(12) 0.2354(11) 0.082(8) Uiso 0.71(3) d P
C301 C 0.7297(8) 0.7074(8) 0.3742(7) 0.075(5) Uiso 1 d .
C302 C 0.7024(8) 0.7588(8) 0.3536(8) 0.081(6) Uiso 1 d .
C303 C 0.6962(8) 0.7877(8) 0.3881(8) 0.082(6) Uiso 1 d .
C304 C 0.6658(12) 0.7610(13) 0.4138(12) 0.132(11) Uiso 1 d .
C305 C 0.7904(7) 0.7080(7) 0.3394(6) 0.063(4) Uiso 1 d .
C306 C 0.8356(8) 0.7037(8) 0.3853(8) 0.079(6) Uiso 1 d .
C307 C 0.8720(9) 0.7392(9) 0.3793(8) 0.092(7) Uiso 1 d .
C308 C 0.9174(9) 0.7323(9) 0.4202(8) 0.087(6) Uiso 1 d .
C309 C 0.7616(7) 0.6250(7) 0.3628(7) 0.066(4) Uiso 1 d .
C310 C 0.7816(9) 0.5925(9) 0.3338(8) 0.091(7) Uiso 1 d .
C311 C 0.8042(7) 0.5479(7) 0.3640(7) 0.072(5) Uiso 1 d .
C312 C 0.8261(11) 0.5129(12) 0.3370(11) 0.123(10) Uiso 1 d .
C313 C 0.7111(6) 0.6775(7) 0.2925(6) 0.061(4) Uiso 1 d .
C314 C 0.6670(8) 0.6495(8) 0.2875(8) 0.081(6) Uiso 1 d .
C315 C 0.629(2) 0.646(2) 0.238(2) 0.081(6) Uiso 0.47(2) d P
C316 C 0.5961(17) 0.6002(17) 0.2204(16) 0.081(6) Uiso 0.47(2) d P
C365 C 0.6428(17) 0.639(2) 0.2348(18) 0.081(6) Uiso 0.53(2) d P
C366 C 0.6473(15) 0.5927(16) 0.2212(14) 0.081(6) Uiso 0.53(2) d P
C401 C -0.0486(8) 0.7041(8) 0.1250(7) 0.074(5) Uiso 1 d .
C402 C -0.0294(9) 0.6502(9) 0.1345(8) 0.090(6) Uiso 1 d .
C403 C -0.0700(12) 0.6166(12) 0.1241(11) 0.120(9) Uiso 1 d .
C404 C -0.051(3) 0.557(3) 0.128(3) 0.128(14) Uiso 0.36(3) d P
C454 C -0.1073(19) 0.6212(19) 0.1408(18) 0.128(14) Uiso 0.64(3) d P
C405 C 0.0129(8) 0.7452(9) 0.0980(8) 0.085(6) Uiso 1 d .
C406 C -0.0233(9) 0.7447(10) 0.0474(9) 0.099(7) Uiso 1 d .
C407 C 0.0096(9) 0.7515(9) 0.0190(8) 0.093(7) Uiso 1 d .
C408 C 0.059(3) 0.747(3) 0.018(2) 0.062(5) Uiso 0.26(2) d P
C458 C -0.0218(9) 0.7433(9) -0.0333(8) 0.062(5) Uiso 0.74(2) d P
C409 C -0.034(2) 0.800(2) 0.120(2) 0.083(4) Uiso 0.462(19) d P
C410 C -0.011(2) 0.848(2) 0.1172(19) 0.083(4) Uiso 0.462(19) d P
C411 C -0.0324(18) 0.8858(19) 0.0908(18) 0.083(4) Uiso 0.462(19) d P
C412 C -0.0513(18) 0.9063(19) 0.1110(18) 0.083(4) Uiso 0.462(19) d P
C459 C -0.038(2) 0.794(2) 0.1323(17) 0.083(4) Uiso 0.538(19) d P
C460 C -0.0069(18) 0.8394(18) 0.1349(16) 0.083(4) Uiso 0.538(19) d P
C461 C -0.0359(16) 0.8821(17) 0.1384(16) 0.083(4) Uiso 0.538(19) d P
C462 C -0.0440(15) 0.9050(16) 0.1632(15) 0.083(4) Uiso 0.538(19) d P
C413 C 0.032(2) 0.750(2) 0.177(2) 0.083(4) Uiso 0.468(19) d P
C414 C 0.0224(19) 0.755(2) 0.2203(18) 0.083(4) Uiso 0.468(19) d P
C415 C 0.0526(18) 0.741(2) 0.2648(17) 0.083(4) Uiso 0.468(19) d P
C416 C 0.0634(17) 0.7472(18) 0.3192(17) 0.083(4) Uiso 0.468(19) d P
C463 C 0.0295(18) 0.7330(18) 0.1851(17) 0.083(4) Uiso 0.532(19) d P
C464 C 0.0118(16) 0.7288(18) 0.2260(16) 0.083(4) Uiso 0.532(19) d P
C465 C 0.0655(17) 0.709(2) 0.2696(16) 0.083(4) Uiso 0.532(19) d P
C466 C 0.0749(16) 0.6760(18) 0.2757(15) 0.083(4) Uiso 0.532(19) d P
C501 C -0.1357(7) 0.8695(8) 0.3224(7) 0.074(5) Uiso 1 d .
C502 C -0.1776(7) 0.8985(8) 0.3289(7) 0.073(5) Uiso 1 d .
C503 C -0.2163(8) 0.8618(9) 0.3249(8) 0.081(6) Uiso 1 d .
C504 C -0.2612(10) 0.8924(10) 0.3195(10) 0.074(7) Uiso 0.75(2) d P
C554 C -0.219(3) 0.841(3) 0.352(3) 0.074(7) Uiso 0.25(2) d P
C505 C -0.0696(8) 0.9179(9) 0.3840(8) 0.085(6) Uiso 1 d .
C506 C -0.0659(10) 0.8738(11) 0.4235(10) 0.110(8) Uiso 1 d .
C507 C -0.0323(13) 0.9017(13) 0.4724(12) 0.132(11) Uiso 1 d .
C508 C -0.003(5) 0.929(5) 0.512(5) 0.129(13) Uiso 0.25(3) d P
C558 C 0.0239(16) 0.9037(16) 0.4847(15) 0.129(13) Uiso 0.75(3) d P
C509 C -0.0574(8) 0.8606(8) 0.3269(7) 0.077(5) Uiso 1 d D
C510 C -0.0121(18) 0.8885(19) 0.3298(19) 0.134(9) Uiso 0.636(19) d PD
C511 C 0.026(2) 0.836(2) 0.3258(19) 0.134(9) Uiso 0.636(19) d PD
C512 C 0.071(2) 0.858(2) 0.3497(18) 0.134(9) Uiso 0.636(19) d P
C560 C -0.066(3) 0.826(3) 0.362(3) 0.134(9) Uiso 0.364(19) d PD
C561 C -0.004(3) 0.800(3) 0.385(3) 0.134(9) Uiso 0.364(19) d PD
C562 C 0.033(3) 0.763(4) 0.369(3) 0.134(9) Uiso 0.364(19) d P
C513 C -0.0948(8) 0.9478(8) 0.3059(7) 0.077(5) Uiso 1 d .
C514 C -0.1142(7) 0.9339(8) 0.2504(7) 0.075(5) Uiso 1 d D
C515 C -0.1147(13) 0.9791(13) 0.2202(12) 0.104(7) Uiso 0.78(2) d PD
C516 C -0.1331(13) 1.0206(14) 0.2342(12) 0.104(7) Uiso 0.78(2) d P
C565 C -0.141(4) 0.983(3) 0.245(4) 0.104(7) Uiso 0.22(2) d PD
C566 C -0.092(5) 1.014(5) 0.225(4) 0.104(7) Uiso 0.22(2) d P
C601 C -0.0763(10) 0.3704(10) 0.1220(9) 0.101(7) Uiso 1 d .
C602 C -0.0201(11) 0.3819(12) 0.1278(11) 0.121(9) Uiso 1 d .
C603 C -0.0166(12) 0.4303(12) 0.1158(11) 0.124(10) Uiso 1 d .
C604 C 0.0355(13) 0.4439(14) 0.1141(13) 0.146(12) Uiso 1 d .
C605 C -0.1335(8) 0.3421(8) 0.1505(8) 0.080(6) Uiso 1 d .
C606 C -0.1479(9) 0.3194(9) 0.1848(8) 0.088(6) Uiso 1 d .
C607 C -0.2011(12) 0.3179(13) 0.1687(12) 0.128(10) Uiso 1 d .
C608 C -0.226(2) 0.370(3) 0.171(2) 0.140(16) Uiso 0.51(3) d P
C658 C -0.224(3) 0.296(3) 0.199(3) 0.140(16) Uiso 0.49(3) d P
C609 C -0.0580(8) 0.3849(8) 0.2057(8) 0.080(6) Uiso 1 d .
C610 C -0.0843(9) 0.4340(9) 0.2025(8) 0.089(6) Uiso 1 d D
C611 C -0.058(3) 0.464(3) 0.250(2) 0.144(12) Uiso 0.51(3) d PD
C612 C -0.009(3) 0.463(3) 0.278(3) 0.144(12) Uiso 0.51(3) d P
C661 C -0.040(2) 0.468(3) 0.230(3) 0.144(12) Uiso 0.49(3) d PD
C662 C -0.029(3) 0.523(3) 0.257(3) 0.144(12) Uiso 0.49(3) d P
C613 C -0.0508(8) 0.2989(8) 0.1811(7) 0.075(5) Uiso 1 d .
C614 C -0.0676(10) 0.2600(11) 0.1443(10) 0.107(8) Uiso 1 d .
C615 C -0.0409(13) 0.2076(13) 0.1609(12) 0.132(11) Uiso 1 d .
C616 C -0.0590(15) 0.1839(16) 0.1923(15) 0.163(14) Uiso 1 d .
C701 C 0.1426(12) 1.0639(13) 0.0081(11) 0.129(10) Uiso 1 d .
C702 C 0.1607(9) 1.0938(10) 0.0494(9) 0.100(7) Uiso 1 d .
C703 C 0.1411(9) 1.1454(9) 0.0254(9) 0.092(7) Uiso 1 d .
C704 C 0.163(4) 1.168(4) 0.087(4) 0.128(14) Uiso 0.31(3) d P
C754 C 0.1606(18) 1.1828(19) 0.0568(19) 0.128(14) Uiso 0.69(3) d P
C705 C 0.139(2) 0.978(2) 0.050(2) 0.118(7) Uiso 0.553(18) d PD
C706 C 0.076(2) 0.997(2) 0.0281(19) 0.118(7) Uiso 0.553(18) d PD
C707 C 0.041(2) 0.951(2) 0.035(2) 0.118(7) Uiso 0.553(18) d P
C708 C 0.006(2) 0.975(2) 0.049(2) 0.118(7) Uiso 0.553(18) d P
C755 C 0.113(3) 0.982(3) 0.047(3) 0.118(7) Uiso 0.448(18) d PD
C756 C 0.092(3) 0.966(3) 0.094(2) 0.118(7) Uiso 0.448(18) d PD
C757 C 0.047(3) 0.964(3) 0.078(3) 0.118(7) Uiso 0.448(18) d P
C758 C 0.034(2) 0.934(3) 0.100(2) 0.118(7) Uiso 0.448(18) d P
C709 C 0.1386(10) 0.9727(11) -0.0298(10) 0.108(8) Uiso 1 d .
C710 C 0.1438(11) 0.9183(12) -0.0305(11) 0.118(9) Uiso 1 d D
C711 C 0.124(3) 0.905(3) -0.0764(19) 0.146(13) Uiso 0.52(3) d PD
C712 C 0.116(3) 0.919(3) -0.134(2) 0.146(13) Uiso 0.52(3) d PD
C761 C 0.173(2) 0.903(3) -0.052(3) 0.146(13) Uiso 0.48(3) d PD
C762 C 0.137(3) 0.917(3) -0.111(2) 0.146(13) Uiso 0.48(3) d PD
C713 C 0.2079(11) 0.9964(11) 0.0547(11) 0.117(9) Uiso 1 d D
C714 C 0.226(3) 1.005(3) 0.022(2) 0.134(10) Uiso 0.43(3) d PD
C715 C 0.296(2) 1.006(3) 0.044(3) 0.134(10) Uiso 0.43(3) d PD
C716 C 0.343(3) 1.008(3) 0.068(3) 0.134(10) Uiso 0.43(3) d PD
C764 C 0.2514(18) 1.006(2) 0.052(2) 0.134(10) Uiso 0.57(3) d PD
C765 C 0.320(2) 1.019(2) 0.081(2) 0.134(10) Uiso 0.57(3) d PD
C766 C 0.359(2) 0.989(2) 0.097(2) 0.134(10) Uiso 0.57(3) d PD
C801 C 0.2487(8) 0.4969(8) 0.5154(8) 0.081(6) Uiso 1 d .
C802 C 0.2820(14) 0.4949(14) 0.5672(13) 0.143(12) Uiso 1 d .
C803 C 0.3111(15) 0.4615(15) 0.5822(14) 0.105(8) Uiso 0.72(3) d P
C804 C 0.3428(15) 0.4612(16) 0.6314(14) 0.105(8) Uiso 0.72(3) d P
C853 C 0.345(4) 0.486(4) 0.601(4) 0.105(8) Uiso 0.28(3) d P
C854 C 0.373(4) 0.482(4) 0.638(4) 0.105(8) Uiso 0.28(3) d P
C805 C 0.2142(9) 0.5807(10) 0.5204(9) 0.097(7) Uiso 1 d .
C806 C 0.1667(9) 0.5570(10) 0.5236(9) 0.099(7) Uiso 1 d .
C807 C 0.1534(10) 0.5894(10) 0.5567(10) 0.106(8) Uiso 1 d .
C808 C 0.1087(11) 0.5686(12) 0.5643(12) 0.060(6) Uiso 0.60(3) d P
C858 C 0.0997(16) 0.5786(17) 0.5394(18) 0.060(6) Uiso 0.40(3) d P
C809 C 0.1924(9) 0.5392(9) 0.4415(8) 0.090(6) Uiso 1 d .
C810 C 0.1738(10) 0.5850(10) 0.4135(10) 0.106(8) Uiso 1 d .
C811 C 0.1381(14) 0.5733(14) 0.3595(13) 0.096(7) Uiso 0.68(2) d P
C812 C 0.0939(15) 0.5740(17) 0.3696(14) 0.096(7) Uiso 0.68(2) d P
C861 C 0.117(3) 0.551(3) 0.386(3) 0.096(7) Uiso 0.32(2) d P
C862 C 0.082(3) 0.542(3) 0.359(3) 0.096(7) Uiso 0.32(2) d P
C813 C 0.2758(11) 0.5731(11) 0.4919(10) 0.117(9) Uiso 1 d .
C814 C 0.2978(13) 0.5474(12) 0.4579(12) 0.131(10) Uiso 1 d .
C815 C 0.3499(13) 0.5620(14) 0.4651(13) 0.142(12) Uiso 1 d .
C816 C 0.3693(17) 0.5341(17) 0.5035(16) 0.183(17) Uiso 1 d .
C901 C 0.2075(10) 0.3338(10) 0.0271(9) 0.102(8) Uiso 1 d .
C902 C 0.2394(11) 0.3009(11) 0.0542(10) 0.110(8) Uiso 1 d .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.849 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'
Si Si 0.0817 0.0704 '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'
V V 0.3005 0.5294 '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_3
O8 W1 O1 101.0(5) .
O8 W1 O9 98.0(5) .
O1 W1 O9 94.2(4) .
O8 W1 O5 99.9(5) .
O1 W1 O5 91.8(4) .
O9 W1 O5 159.7(4) .
O8 W1 O19 95.1(4) .
O1 W1 O19 163.9(4) .
O9 W1 O19 83.3(4) .
O5 W1 O19 85.7(4) .
O8 W1 O6 170.6(5) .
O1 W1 O6 84.4(4) .
O9 W1 O6 73.8(4) .
O5 W1 O6 87.6(3) .
O19 W1 O6 79.6(3) .
O10 W2 O2 97.7(5) .
O10 W2 O7 100.1(5) .
O2 W2 O7 89.1(4) .
O10 W2 O9 99.8(5) .
O2 W2 O9 92.0(4) .
O7 W2 O9 159.8(4) .
O10 W2 O21 98.9(5) .
O2 W2 O21 163.3(4) .
O7 W2 O21 86.3(4) .
O9 W2 O21 87.0(4) .
O10 W2 O6 173.1(4) .
O2 W2 O6 82.8(4) .
O7 W2 O6 86.8(4) .
O9 W2 O6 73.3(3) .
O21 W2 O6 80.9(4) .
O14 W3 O3 100.6(5) .
O14 W3 O15 99.2(4) .
O3 W3 O15 92.7(4) .
O14 W3 O11 98.7(4) .
O3 W3 O11 91.0(4) .
O15 W3 O11 160.8(4) .
O14 W3 O20 94.3(5) .
O3 W3 O20 165.0(4) .
O15 W3 O20 85.8(4) .
O11 W3 O20 85.9(4) .
O14 W3 O12 171.3(4) .
O3 W3 O12 85.1(4) .
O15 W3 O12 73.8(3) .
O11 W3 O12 87.7(3) .
O20 W3 O12 80.2(4) .
O16 W4 O4 98.9(4) .
O16 W4 O15 99.1(4) .
O4 W4 O15 92.6(4) .
O16 W4 O13 99.9(4) .
O4 W4 O13 89.5(4) .
O15 W4 O13 160.3(4) .
O16 W4 O22 97.2(4) .
O4 W4 O22 163.8(4) .
O15 W4 O22 86.5(4) .
O13 W4 O22 86.1(4) .
O16 W4 O12 172.3(4) .
O4 W4 O12 83.3(3) .
O15 W4 O12 73.4(3) .
O13 W4 O12 87.4(3) .
O22 W4 O12 81.0(3) .
O17 W5 O11 101.0(5) .
O17 W5 O5 102.6(5) .
O11 W5 O5 91.9(4) .
O17 W5 O24 101.4(5) .
O11 W5 O24 87.1(4) .
O5 W5 O24 155.7(4) .
O17 W5 O23 103.1(5) .
O11 W5 O23 155.4(4) .
O5 W5 O23 87.6(4) .
O24 W5 O23 83.5(4) .
O17 W5 O35 174.7(4) .
O11 W5 O35 82.4(4) .
O5 W5 O35 81.1(3) .
O24 W5 O35 74.6(4) .
O23 W5 O35 73.2(4) .
O18 W6 O13 102.6(4) .
O18 W6 O7 101.8(5) .
O13 W6 O7 92.9(4) .
O18 W6 O26 101.6(4) .
O13 W6 O26 87.5(4) .
O7 W6 O26 155.9(4) .
O18 W6 O25 100.7(4) .
O13 W6 O25 156.4(4) .
O7 W6 O25 86.4(4) .
O26 W6 O25 83.8(4) .
O18 W6 O36 174.1(4) .
O13 W6 O36 81.2(3) .
O7 W6 O36 82.4(4) .
O26 W6 O36 73.9(3) .
O25 W6 O36 75.3(3) .
O28 W7 O23 98.5(5) .
O28 W7 O27 101.4(5) .
O23 W7 O27 160.0(4) .
O28 W7 O19 104.1(5) .
O23 W7 O19 85.9(4) .
O27 W7 O19 88.1(4) .
O28 W7 O33 98.2(5) .
O23 W7 O33 87.2(4) .
O27 W7 O33 91.1(4) .
O19 W7 O33 157.4(4) .
O28 W7 O35 170.9(4) .
O23 W7 O35 76.2(4) .
O27 W7 O35 84.2(4) .
O19 W7 O35 83.1(3) .
O33 W7 O35 74.4(3) .
O29 W8 O25 100.7(5) .
O29 W8 O27 100.2(5) .
O25 W8 O27 158.4(4) .
O29 W8 O34 102.0(5) .
O25 W8 O34 89.9(4) .
O27 W8 O34 90.8(4) .
O29 W8 O21 104.1(5) .
O25 W8 O21 84.7(4) .
O27 W8 O21 85.2(4) .
O34 W8 O21 153.9(4) .
O29 W8 O36 173.2(5) .
O25 W8 O36 76.1(3) .
O27 W8 O36 83.6(3) .
O34 W8 O36 72.2(3) .
O21 W8 O36 81.7(3) .
O31 W9 O30 100.7(4) .
O31 W9 O24 98.6(4) .
O30 W9 O24 160.3(4) .
O31 W9 O20 102.0(5) .
O30 W9 O20 87.1(4) .
O24 W9 O20 84.9(4) .
O31 W9 O33 101.5(5) .
O30 W9 O33 91.3(4) .
O24 W9 O33 88.8(4) .
O20 W9 O33 156.3(4) .
O31 W9 O35 172.9(4) .
O30 W9 O35 84.4(3) .
O24 W9 O35 76.7(4) .
O20 W9 O35 83.0(4) .
O33 W9 O35 73.3(3) .
O32 W10 O26 99.2(4) .
O32 W10 O22 102.3(5) .
O26 W10 O22 86.0(4) .
O32 W10 O34 101.2(5) .
O26 W10 O34 87.7(4) .
O22 W10 O34 156.4(4) .
O32 W10 O30 101.4(4) .
O26 W10 O30 159.4(4) .
O22 W10 O30 88.3(4) .
O34 W10 O30 89.7(4) .
O32 W10 O36 171.9(4) .
O26 W10 O36 74.9(4) .
O22 W10 O36 83.0(4) .
O34 W10 O36 73.4(3) .
O30 W10 O36 84.8(3) .
O48 W11 O49 100.0(5) .
O48 W11 O59 98.1(5) .
O49 W11 O59 92.0(4) .
O48 W11 O45 100.1(5) .
O49 W11 O45 159.9(4) .
O59 W11 O45 86.4(4) .
O48 W11 O41 95.9(5) .
O49 W11 O41 90.3(5) .
O59 W11 O41 165.2(4) .
O45 W11 O41 86.5(5) .
O48 W11 O46 173.1(4) .
O49 W11 O46 73.3(4) .
O59 W11 O46 84.0(4) .
O45 W11 O46 86.6(4) .
O41 W11 O46 82.7(4) .
O50 W12 O42 99.8(5) .
O50 W12 O47 100.2(6) .
O42 W12 O47 91.4(5) .
O50 W12 O49 97.9(6) .
O42 W12 O49 91.9(4) .
O47 W12 O49 160.8(4) .
O50 W12 O60 95.5(5) .
O42 W12 O60 164.6(4) .
O47 W12 O60 86.2(4) .
O49 W12 O60 85.6(4) .
O50 W12 O46 171.4(6) .
O42 W12 O46 84.0(4) .
O47 W12 O46 87.3(4) .
O49 W12 O46 74.2(4) .
O60 W12 O46 80.7(4) .
O54 W13 O43 101.0(4) .
O54 W13 O51 99.8(4) .
O43 W13 O51 95.6(4) .
O54 W13 O55 98.6(4) .
O43 W13 O55 94.0(4) .
O51 W13 O55 157.2(4) .
O54 W13 O61 94.3(4) .
O43 W13 O61 164.6(4) .
O51 W13 O61 83.7(4) .
O55 W13 O61 81.7(4) .
O54 W13 O52 170.3(4) .
O43 W13 O52 86.1(4) .
O51 W13 O52 86.0(4) .
O55 W13 O52 74.0(3) .
O61 W13 O52 78.5(3) .
O56 W14 O44 102.6(5) .
O56 W14 O55 99.4(5) .
O44 W14 O55 94.9(4) .
O56 W14 O53 98.9(5) .
O44 W14 O53 94.4(4) .
O55 W14 O53 157.1(4) .
O56 W14 O62 92.5(4) .
O44 W14 O62 164.9(4) .
O55 W14 O62 82.5(4) .
O53 W14 O62 83.1(4) .
O56 W14 O52 168.9(4) .
O44 W14 O52 87.1(4) .
O55 W14 O52 74.2(4) .
O53 W14 O52 85.4(4) .
O62 W14 O52 77.9(3) .
O57 W15 O45 102.7(5) .
O57 W15 O51 103.0(4) .
O45 W15 O51 94.1(4) .
O57 W15 O63 103.0(5) .
O45 W15 O63 85.9(4) .
O51 W15 O63 153.4(4) .
O57 W15 O64 102.3(5) .
O45 W15 O64 154.2(4) .
O51 W15 O64 86.4(4) .
O63 W15 O64 82.4(4) .
O57 W15 O75 174.8(4) .
O45 W15 O75 80.8(4) .
O51 W15 O75 80.4(4) .
O63 W15 O75 73.3(4) .
O64 W15 O75 73.8(4) .
O58 W16 O53 102.5(6) .
O58 W16 O47 102.6(5) .
O53 W16 O47 92.1(4) .
O58 W16 O65 101.2(6) .
O53 W16 O65 155.6(4) .
O47 W16 O65 88.2(4) .
O58 W16 O66 101.7(5) .
O53 W16 O66 87.0(4) .
O47 W16 O66 155.3(5) .
O65 W16 O66 82.7(4) .
O58 W16 O76 174.4(5) .
O53 W16 O76 81.6(4) .
O47 W16 O76 80.9(4) .
O65 W16 O76 74.4(4) .
O66 W16 O76 74.5(4) .
O68 W17 O63 99.5(5) .
O68 W17 O67 101.7(5) .
O63 W17 O67 158.4(4) .
O68 W17 O73 100.8(5) .
O63 W17 O73 88.7(4) .
O67 W17 O73 91.1(5) .
O68 W17 O59 101.0(5) .
O63 W17 O59 84.9(4) .
O67 W17 O59 87.2(4) .
O73 W17 O59 157.9(4) .
O68 W17 O75 172.7(4) .
O63 W17 O75 74.7(3) .
O67 W17 O75 84.5(4) .
O73 W17 O75 74.9(4) .
O59 W17 O75 83.0(3) .
O69 W18 O67 100.0(6) .
O69 W18 O65 99.4(6) .
O67 W18 O65 160.6(4) .
O69 W18 O60 102.3(6) .
O67 W18 O60 89.1(5) .
O65 W18 O60 85.9(5) .
O69 W18 O74 101.2(6) .
O67 W18 O74 90.3(5) .
O65 W18 O74 86.8(5) .
O60 W18 O74 156.3(4) .
O69 W18 O76 172.4(5) .
O67 W18 O76 84.1(4) .
O65 W18 O76 76.7(4) .
O60 W18 O76 84.0(4) .
O74 W18 O76 72.3(4) .
O71 W19 O64 100.3(5) .
O71 W19 O70 100.4(5) .
O64 W19 O70 159.1(4) .
O71 W19 O61 103.3(5) .
O64 W19 O61 86.8(4) .
O70 W19 O61 85.8(4) .
O71 W19 O73 100.3(5) .
O64 W19 O73 89.6(5) .
O70 W19 O73 89.4(4) .
O61 W19 O73 156.4(4) .
O71 W19 O75 172.1(5) .
O64 W19 O75 75.1(4) .
O70 W19 O75 84.6(4) .
O61 W19 O75 83.0(3) .
O73 W19 O75 73.6(4) .
O72 W20 O70 99.3(5) .
O72 W20 O66 99.2(6) .
O70 W20 O66 160.9(4) .
O72 W20 O74 102.2(5) .
O70 W20 O74 92.0(4) .
O66 W20 O74 88.4(5) .
O72 W20 O62 102.2(5) .
O70 W20 O62 85.9(4) .
O66 W20 O62 85.9(4) .
O74 W20 O62 155.5(4) .
O72 W20 O76 173.6(5) .
O70 W20 O76 84.6(4) .
O66 W20 O76 77.3(4) .
O74 W20 O76 72.5(3) .
O62 W20 O76 83.0(3) .
O37 Pd1 O2 170.5(4) .
O37 Pd1 O1 89.1(4) .
O2 Pd1 O1 90.2(4) .
O37 Pd1 O38 91.3(5) .
O2 Pd1 O38 87.9(4) .
O1 Pd1 O38 170.7(4) .
O39 Pd2 O3 87.7(4) .
O39 Pd2 O4 171.9(4) .
O3 Pd2 O4 90.5(4) .
O39 Pd2 O40 92.8(5) .
O3 Pd2 O40 170.4(4) .
O4 Pd2 O40 87.7(5) .
O41 Pd3 O78 166.5(4) .
O41 Pd3 O42 91.4(4) .
O78 Pd3 O42 90.3(5) .
O41 Pd3 O77 85.1(4) .
O78 Pd3 O77 91.5(5) .
O42 Pd3 O77 172.3(4) .
O44 Pd4 O43 89.9(4) .
O44 Pd4 O80 90.4(4) .
O43 Pd4 O80 171.0(4) .
O44 Pd4 O79 169.1(4) .
O43 Pd4 O79 89.4(4) .
O80 Pd4 O79 88.7(4) .
O6 Si1 O12 114.2(5) .
O6 Si1 O35 108.4(5) .
O12 Si1 O35 107.9(5) .
O6 Si1 O36 108.1(5) .
O12 Si1 O36 107.9(5) .
O35 Si1 O36 110.3(5) .
O52 Si2 O46 115.1(5) .
O52 Si2 O75 109.9(5) .
O46 Si2 O75 106.9(5) .
O52 Si2 O76 108.1(5) .
O46 Si2 O76 107.1(5) .
O75 Si2 O76 109.6(5) .
W1 O1 Pd1 137.3(5) .
W2 O2 Pd1 137.5(5) .
W3 O3 Pd2 136.7(6) .
W4 O4 Pd2 137.1(5) .
W1 O5 W5 148.3(5) .
Si1 O6 W2 129.3(5) .
Si1 O6 W1 128.5(5) .
W2 O6 W1 94.3(3) .
W6 O7 W2 146.6(5) .
W1 O9 W2 117.1(5) .
W5 O11 W3 146.6(6) .
Si1 O12 W3 130.0(5) .
Si1 O12 W4 127.6(5) .
W3 O12 W4 95.3(3) .
W6 O13 W4 147.1(5) .
W4 O15 W3 116.1(4) .
W7 O19 W1 140.9(5) .
W9 O20 W3 141.2(5) .
W8 O21 W2 142.4(5) .
W10 O22 W4 141.7(5) .
W7 O23 W5 120.0(5) .
W9 O24 W5 118.9(5) .
W8 O25 W6 118.7(5) .
W10 O26 W6 119.8(5) .
W7 O27 W8 161.1(6) .
W9 O30 W10 159.2(5) .
W7 O33 W9 118.4(5) .
W10 O34 W8 120.6(4) .
Si1 O35 W7 124.2(5) .
Si1 O35 W9 124.0(5) .
W7 O35 W9 93.4(3) .
Si1 O35 W5 125.1(5) .
W7 O35 W5 90.4(3) .
W9 O35 W5 89.6(3) .
Si1 O36 W10 123.6(5) .
Si1 O36 W6 125.7(5) .
W10 O36 W6 91.1(3) .
Si1 O36 W8 123.6(5) .
W10 O36 W8 93.1(3) .
W6 O36 W8 89.9(3) .
C1 O37 Pd1 132.3(10) .
C2 O38 Pd1 126.6(9) .
C1 O39 Pd2 130.2(10) .
C2 O40 Pd2 130.9(11) .
W11 O41 Pd3 134.2(5) .
W12 O42 Pd3 136.3(6) .
W13 O43 Pd4 137.8(5) .
W14 O44 Pd4 135.4(5) .
W15 O45 W11 147.2(6) .
Si2 O46 W12 129.3(5) .
Si2 O46 W11 127.7(5) .
W12 O46 W11 95.3(3) .
W16 O47 W12 147.7(6) .
W12 O49 W11 116.7(5) .
W15 O51 W13 152.0(5) .
Si2 O52 W13 128.8(5) .
Si2 O52 W14 131.4(5) .
W13 O52 W14 93.5(3) .
W16 O53 W14 151.5(5) .
W14 O55 W13 115.0(4) .
W11 O59 W17 142.4(5) .
W18 O60 W12 141.1(6) .
W19 O61 W13 139.6(5) .
W20 O62 W14 140.6(5) .
W17 O63 W15 120.8(5) .
W19 O64 W15 120.7(5) .
W18 O65 W16 118.1(5) .
W20 O66 W16 117.9(5) .
W18 O67 W17 160.3(6) .
W20 O70 W19 159.8(5) .
W17 O73 W19 118.1(5) .
W20 O74 W18 120.8(5) .
Si2 O75 W17 124.8(5) .
Si2 O75 W15 125.4(4) .
W17 O75 W15 91.0(3) .
Si2 O75 W19 122.8(5) .
W17 O75 W19 92.7(3) .
W15 O75 W19 90.1(3) .
Si2 O76 W18 124.3(5) .
Si2 O76 W20 124.2(5) .
W18 O76 W20 93.8(3) .
Si2 O76 W16 124.2(5) .
W18 O76 W16 90.4(3) .
W20 O76 W16 90.1(3) .
C6 O77 Pd3 129.9(9) .
C7 O78 Pd3 132.8(10) .
C6 O79 Pd4 131.2(9) .
C7 O80 Pd4 126.7(10) .
C109 N1 C105 111.3(12) .
C109 N1 C101 107.2(12) .
C105 N1 C101 110.5(12) .
C109 N1 C113 112.0(11) .
C105 N1 C113 108.1(12) .
C101 N1 C113 107.8(12) .
C209 N2 C205 103.2(14) .
C209 N2 C213 113.7(15) .
C205 N2 C213 112.3(13) .
C209 N2 C201 113.6(15) .
C205 N2 C201 109.9(14) .
C213 N2 C201 104.3(13) .
C305 N3 C313 106.5(14) .
C305 N3 C301 108.3(15) .
C313 N3 C301 109.5(14) .
C305 N3 C309 115.3(14) .
C313 N3 C309 111.7(14) .
C301 N3 C309 105.4(14) .
C413 N4 C459 107(3) .
C413 N4 C405 101(3) .
C459 N4 C405 116(2) .
C413 N4 C409 113(3) .
C459 N4 C409 18(3) .
C405 N4 C409 99(2) .
C413 N4 C401 120(3) .
C459 N4 C401 103(3) .
C405 N4 C401 110.3(16) .
C409 N4 C401 112(3) .
C413 N4 C463 19(3) .
C459 N4 C463 115(3) .
C405 N4 C463 110(2) .
C409 N4 C463 126(3) .
C401 N4 C463 101(2) .
C509 N5 C501 103.3(16) .
C509 N5 C505 110.1(17) .
C501 N5 C505 112.2(17) .
C509 N5 C513 114.9(17) .
C501 N5 C513 115.2(16) .
C505 N5 C513 101.4(16) .
C605 N6 C601 103.0(18) .
C605 N6 C613 118.0(17) .
C601 N6 C613 112.1(18) .
C605 N6 C609 113.3(17) .
C601 N6 C609 106.2(17) .
C613 N6 C609 103.9(16) .
C705 N7 C713 92(3) .
C705 N7 C709 112(3) .
C713 N7 C709 117(2) .
C705 N7 C701 120(3) .
C713 N7 C701 109(2) .
C709 N7 C701 107(2) .
C705 N7 C755 21(4) .
C713 N7 C755 111(3) .
C709 N7 C755 107(3) .
C701 N7 C755 105(3) .
C805 N8 C801 111.1(18) .
C805 N8 C813 103.3(19) .
C801 N8 C813 103.7(18) .
C805 N8 C809 113.2(18) .
C801 N8 C809 111.4(17) .
C813 N8 C809 113.6(19) .
O39 C1 O37 126.8(13) .
O39 C1 C3 119.4(12) .
O37 C1 C3 113.4(12) .
C1 C3 C4 108.4(11) .
C5 C4 C3 113.3(12) .
C4 C5 C2 107.9(12) 3_566
O40 C2 O38 131.2(14) .
O40 C2 C5 114.7(13) 3_566
O38 C2 C5 113.7(13) 3_566
O77 C6 O79 127.6(13) .
O77 C6 C8 119.5(12) .
O79 C6 C8 112.9(12) .
C6 C8 C9 106.1(12) .
C10 C9 C8 107.5(13) .
C9 C10 C7 105.1(13) 3_567
O80 C7 O78 128.7(15) .
O80 C7 C10 118.4(14) 3_567
O78 C7 C10 112.7(13) 3_567
N1 C101 C102 115.8(15) .
C103 C102 C101 107.1(16) .
C104 C103 C102 110(2) .
N1 C105 C106 111.6(15) .
C107 C106 C105 105(2) .
C108 C107 C106 131(6) .
C108 C107 C158 95(6) .
C106 C107 C158 99(4) .
N1 C109 C110 118.3(14) .
C109 C110 C111 111.2(19) .
C112 C111 C110 111(3) .
C114 C113 N1 114.3(14) .
C113 C114 C115 107.8(15) .
C114 C115 C116 115.5(16) .
C202 C201 N2 110.5(15) .
C201 C202 C203 102.1(16) .
C202 C203 C204 108.4(19) .
N2 C205 C206 113.4(15) .
C205 C206 C207 112.7(17) .
C208 C207 C206 110(2) .
N2 C209 C210 107.3(18) .
C211 C210 C209 114(2) .
C262 C211 C210 125(4) .
C262 C211 C212 73(3) .
C210 C211 C212 94(3) .
C211 C212 C262 49(3) .
C211 C262 C212 59(3) .
N2 C213 C214 111.6(14) .
C215 C214 C213 104.9(17) .
C266 C215 C214 109(2) .
C266 C215 C216 40(3) .
C214 C215 C216 112(3) .
C266 C216 C215 64(5) .
C216 C266 C215 77(5) .
N3 C301 C302 115.2(16) .
C303 C302 C301 111.4(19) .
C302 C303 C304 115(2) .
N3 C305 C306 111.9(15) .
C307 C306 C305 105.4(18) .
C308 C307 C306 107(2) .
C310 C309 N3 110.7(16) .
C311 C310 C309 105.3(18) .
C310 C311 C312 108.6(19) .
C314 C313 N3 114.8(16) .
C313 C314 C315 116(3) .
C313 C314 C365 104(2) .
C315 C314 C365 19(3) .
C365 C315 C316 96(10) .
C365 C315 C314 82(10) .
C316 C315 C314 124(4) .
C365 C315 C366 39(10) .
C316 C315 C366 58(3) .
C314 C315 C366 99(3) .
C315 C316 C366 66(3) .
C315 C316 C365 18(3) .
C366 C316 C365 48(3) .
C315 C365 C366 127(10) .
C315 C365 C314 78(10) .
C366 C365 C314 117(4) .
C315 C365 C316 66(10) .
C366 C365 C316 62(3) .
C314 C365 C316 114(4) .
C365 C366 C316 70(3) .
C365 C366 C315 14(3) .
C316 C366 C315 56(3) .
C402 C401 N4 116.8(18) .
C403 C402 C401 108(2) .
C454 C403 C402 126(3) .
C454 C403 C404 111(4) .
C402 C403 C404 109(4) .
N4 C405 C406 114(2) .
C405 C406 C407 103(2) .
C408 C407 C458 101(3) .
C408 C407 C406 148(3) .
C458 C407 C406 108(2) .
C460 C409 C410 22(3) .
C460 C409 N4 117(5) .
C410 C409 N4 127(5) .
C460 C410 C411 143(10) .
C460 C410 C409 61(9) .
C411 C410 C409 124(6) .
C460 C410 C461 77(9) .
C411 C410 C461 66(4) .
C409 C410 C461 99(4) .
C460 C410 C459 51(9) .
C411 C410 C459 128(5) .
C409 C410 C459 12(3) .
C461 C410 C459 90(4) .
C460 C410 C412 109(10) .
C411 C410 C412 35(3) .
C409 C410 C412 113(5) .
C461 C410 C412 32(2) .
C459 C410 C412 109(4) .
C412 C411 C410 105(6) .
C412 C411 C461 42(3) .
C410 C411 C461 63(4) .
C412 C411 C460 94(4) .
C410 C411 C460 11(4) .
C461 C411 C460 52(3) .
C461 C412 C411 90(5) .
C461 C412 C462 44(4) .
C411 C412 C462 132(5) .
C461 C412 C410 49(4) .
C411 C412 C410 41(3) .
C462 C412 C410 93(3) .
N4 C459 C460 109(4) .
N4 C459 C410 111(4) .
C460 C459 C410 17(3) .
C410 C460 C409 97(10) .
C410 C460 C461 81(10) .
C409 C460 C461 109(5) .
C410 C460 C459 113(10) .
C409 C460 C459 17(3) .
C461 C460 C459 104(4) .
C410 C460 C411 26(9) .
C409 C460 C411 105(4) .
C461 C460 C411 55(3) .
C459 C460 C411 116(4) .
C412 C461 C462 95(5) .
C412 C461 C460 121(5) .
C462 C461 C460 143(5) .
C412 C461 C410 99(5) .
C462 C461 C410 162(5) .
C460 C461 C410 22(3) .
C412 C461 C411 48(4) .
C462 C461 C411 141(5) .
C460 C461 C411 73(3) .
C410 C461 C411 51(3) .
C461 C462 C412 41(3) .
C463 C413 N4 100(10) .
C463 C413 C414 61(9) .
N4 C413 C414 115(4) .
C463 C413 C464 39(9) .
N4 C413 C464 106(4) .
C414 C413 C464 23(2) .
C464 C414 C463 90(6) .
C464 C414 C415 73(6) .
C463 C414 C415 116(5) .
C464 C414 C413 110(7) .
C463 C414 C413 21(3) .
C415 C414 C413 126(5) .
C464 C414 C465 60(5) .
C463 C414 C465 95(4) .
C415 C414 C465 24(3) .
C413 C414 C465 110(4) .
C465 C415 C414 119(6) .
C465 C415 C464 96(5) .
C414 C415 C464 34(3) .
C465 C415 C416 91(5) .
C414 C415 C416 144(5) .
C464 C415 C416 134(4) .
C465 C415 C466 4(4) .
C414 C415 C466 120(4) .
C464 C415 C466 95(4) .
C416 C415 C466 90(3) .
C415 C416 C465 30(2) .
C413 C463 C414 98(10) .
C413 C463 C464 128(10) .
C414 C463 C464 32(3) .
C413 C463 N4 61(9) .
C414 C463 N4 114(4) .
C464 C463 N4 118(4) .
C414 C464 C415 73(6) .
C414 C464 C463 59(5) .
C415 C464 C463 103(4) .
C414 C464 C465 96(6) .
C415 C464 C465 32(2) .
C463 C464 C465 98(3) .
C414 C464 C413 46(5) .
C415 C464 C413 100(4) .
C463 C464 C413 13(3) .
C465 C464 C413 102(3) .
C466 C465 C415 172(8) .
C466 C465 C464 125(5) .
C415 C465 C464 52(4) .
C466 C465 C416 117(5) .
C415 C465 C416 59(4) .
C464 C465 C416 99(3) .
C466 C465 C414 144(5) .
C415 C465 C414 37(4) .
C464 C465 C414 23.8(19) .
C416 C465 C414 94(3) .
C465 C466 C415 4(4) .
N5 C501 C502 116.3(17) .
C503 C502 C501 108.7(17) .
C554 C503 C502 126(5) .
C554 C503 C504 92(5) .
C502 C503 C504 107.4(19) .
C503 C504 C554 34(3) .
C503 C554 C504 55(4) .
N5 C505 C506 113.7(19) .
C507 C506 C505 102(2) .
C508 C507 C558 61(6) .
C508 C507 C506 176(6) .
C558 C507 C506 117(3) .
C507 C508 C558 65(6) .
C508 C558 C507 54(5) .
N5 C509 C510 107(2) .
N5 C509 C560 90(3) .
C510 C509 C560 130(4) .
C509 C510 C511 102(3) .
C512 C511 C510 100(4) .
C509 C560 C561 94(5) .
C562 C561 C560 140(7) .
N5 C513 C514 108.4(16) .
C515 C514 C565 52(5) .
C515 C514 C513 113(2) .
C565 C514 C513 83(5) .
C566 C515 C565 109(9) .
C566 C515 C516 67(7) .
C565 C515 C516 48(4) .
C566 C515 C514 134(7) .
C565 C515 C514 64(3) .
C516 C515 C514 110(3) .
C565 C516 C515 63(6) .
C565 C516 C566 106(8) .
C515 C516 C566 48(5) .
C516 C565 C515 69(8) .
C516 C565 C514 129(10) .
C515 C565 C514 64(3) .
C516 C565 C566 42(6) .
C515 C565 C566 32(5) .
C514 C565 C566 87(6) .
C515 C566 C516 65(7) .
C515 C566 C565 39(6) .
C516 C566 C565 32(4) .
N6 C601 C602 115(2) .
C603 C602 C601 109(3) .
C602 C603 C604 113(3) .
C606 C605 N6 114.3(19) .
C605 C606 C607 111(2) .
C658 C607 C606 121(4) .
C658 C607 C608 88(4) .
C606 C607 C608 116(4) .
C610 C609 N6 116.2(18) .
C609 C610 C661 98(3) .
C609 C610 C611 107(3) .
C661 C610 C611 36(3) .
C661 C611 C612 72(7) .
C661 C611 C610 71(2) .
C612 C611 C610 128(6) .
C661 C611 C662 67(6) .
C612 C611 C662 65(5) .
C610 C611 C662 128(5) .
C611 C612 C661 41(4) .
C611 C612 C662 68(5) .
C661 C612 C662 62(5) .
C611 C661 C612 68(6) .
C611 C661 C610 72(2) .
C612 C661 C610 126(6) .
C611 C661 C662 80(7) .
C612 C661 C662 67(5) .
C610 C661 C662 138(6) .
C661 C662 C612 51(4) .
C661 C662 C611 33(3) .
C612 C662 C611 48(4) .
C614 C613 N6 109.6(19) .
C613 C614 C615 112(2) .
C616 C615 C614 109(3) .
C702 C701 N7 111(2) .
C701 C702 C703 96(2) .
C754 C703 C702 108(3) .
C754 C703 C704 31(4) .
C702 C703 C704 82(4) .
C754 C704 C703 45(6) .
C704 C754 C703 103(8) .
C755 C705 N7 120(10) .
C755 C705 C706 17(8) .
N7 C705 C706 102(4) .
C755 C706 C707 102(6) .
C755 C706 C705 12(5) .
C707 C706 C705 111(4) .
C757 C707 C708 53(4) .
C757 C707 C706 95(5) .
C708 C707 C706 106(4) .
C757 C707 C756 41(4) .
C708 C707 C756 91(4) .
C706 C707 C756 70(4) .
C757 C708 C707 59(5) .
C757 C708 C758 41(4) .
C707 C708 C758 82(4) .
C705 C755 C706 151(10) .
C705 C755 C756 123(10) .
C706 C755 C756 85(6) .
C705 C755 N7 40(7) .
C706 C755 N7 112(6) .
C756 C755 N7 158(5) .
C757 C756 C755 111(6) .
C757 C756 C707 43(4) .
C755 C756 C707 72(4) .
C758 C757 C708 96(7) .
C758 C757 C756 111(8) .
C708 C757 C756 152(8) .
C758 C757 C707 117(7) .
C708 C757 C707 68(5) .
C756 C757 C707 96(7) .
C757 C758 C708 42(5) .
C710 C709 N7 120(2) .
C761 C710 C711 61(4) .
C761 C710 C709 114(4) .
C711 C710 C709 105(4) .
C762 C711 C710 129(7) .
C762 C711 C761 81(6) .
C710 C711 C761 59(2) .
C762 C711 C712 23(5) .
C710 C711 C712 147(6) .
C761 C711 C712 104(5) .
C762 C712 C711 43(9) .
C710 C761 C711 60(2) .
C710 C761 C762 101(5) .
C711 C761 C762 48(4) .
C712 C762 C711 113(10) .
C712 C762 C761 164(10) .
C711 C762 C761 51(5) .
C714 C713 C764 41(3) .
C714 C713 N7 94(4) .
C764 C713 N7 134(4) .
C764 C714 C713 70(2) .
C764 C714 C715 46(5) .
C713 C714 C715 116(5) .
C765 C715 C716 46(5) .
C765 C715 C764 96(7) .
C716 C715 C764 140(9) .
C765 C715 C714 123(6) .
C716 C715 C714 168(8) .
C764 C715 C714 28(3) .
C765 C716 C766 87(9) .
C765 C716 C715 57(6) .
C766 C716 C715 122(9) .
C714 C764 C713 68.9(19) .
C714 C764 C715 105(6) .
C713 C764 C715 169(7) .
C714 C764 C765 139(5) .
C713 C764 C765 152(5) .
C715 C764 C765 36(4) .
C716 C765 C715 77(7) .
C716 C765 C766 46(6) .
C715 C765 C766 109(6) .
C716 C765 C764 124(7) .
C715 C765 C764 48(4) .
C766 C765 C764 133(5) .
C716 C766 C765 46(5) .
N8 C801 C802 121(2) .
C803 C802 C801 121(4) .
C803 C802 C853 39(4) .
C801 C802 C853 137(4) .
C853 C803 C802 100(6) .
C853 C803 C804 51(5) .
C802 C803 C804 120(4) .
C854 C804 C853 62(7) .
C854 C804 C803 113(7) .
C853 C804 C803 51(6) .
C854 C853 C804 53(7) .
C854 C853 C803 130(10) .
C804 C853 C803 77(7) .
C854 C853 C802 143(10) .
C804 C853 C802 99(8) .
C803 C853 C802 41(4) .
C804 C854 C853 65(8) .
N8 C805 C806 109(2) .
C807 C806 C805 108(2) .
C806 C807 C858 100(3) .
C806 C807 C808 112(2) .
C858 C807 C808 28.5(18) .
C858 C808 C807 74(5) .
C808 C858 C807 78(5) .
C810 C809 N8 117(2) .
C809 C810 C811 114(2) .
C809 C810 C861 87(3) .
C811 C810 C861 45(3) .
C861 C811 C812 37(4) .
C861 C811 C810 74(4) .
C812 C811 C810 94(3) .
C861 C811 C862 35(4) .
C812 C811 C862 29(3) .
C810 C811 C862 109(4) .
C862 C812 C861 73(7) .
C862 C812 C811 100(7) .
C861 C812 C811 63(6) .
C812 C861 C862 53(7) .
C812 C861 C811 80(7) .
C862 C861 C811 100(8) .
C812 C861 C810 109(8) .
C862 C861 C810 157(9) .
C811 C861 C810 60(4) .
C812 C862 C861 54(7) .
C812 C862 C811 52(5) .
C861 C862 C811 45(6) .
N8 C813 C814 113(2) .
C815 C814 C813 117(3) .
C816 C815 C814 94(3) .
C902 C901 Cl1 110(2) .
C901 C902 Cl2 118(2) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O8 1.715(11) .
W1 O1 1.811(9) .
W1 O9 1.893(10) .
W1 O5 1.896(10) .
W1 O19 2.089(10) .
W1 O6 2.227(8) .
W2 O10 1.719(11) .
W2 O2 1.875(9) .
W2 O7 1.920(10) .
W2 O9 1.926(9) .
W2 O21 2.007(9) .
W2 O6 2.219(9) .
W3 O14 1.715(9) .
W3 O3 1.835(10) .
W3 O15 1.917(9) .
W3 O11 1.934(10) .
W3 O20 2.077(10) .
W3 O12 2.190(8) .
W4 O16 1.724(9) .
W4 O4 1.870(10) .
W4 O15 1.915(9) .
W4 O13 1.954(9) .
W4 O22 2.043(9) .
W4 O12 2.209(8) .
W5 O17 1.712(9) .
W5 O11 1.893(10) .
W5 O5 1.898(10) .
W5 O24 1.941(10) .
W5 O23 1.944(10) .
W5 O35 2.361(9) .
W6 O18 1.744(10) .
W6 O13 1.851(10) .
W6 O7 1.896(9) .
W6 O26 1.920(10) .
W6 O25 1.939(9) .
W6 O36 2.324(8) .
W7 O28 1.735(10) .
W7 O23 1.869(10) .
W7 O27 1.882(9) .
W7 O19 1.933(10) .
W7 O33 1.936(10) .
W7 O35 2.291(8) .
W8 O29 1.735(10) .
W8 O25 1.884(9) .
W8 O27 1.911(9) .
W8 O34 1.946(8) .
W8 O21 1.979(10) .
W8 O36 2.332(9) .
W9 O31 1.717(10) .
W9 O30 1.870(9) .
W9 O24 1.885(10) .
W9 O20 1.951(9) .
W9 O33 1.965(9) .
W9 O35 2.316(9) .
W10 O32 1.748(12) .
W10 O26 1.894(9) .
W10 O22 1.912(9) .
W10 O34 1.923(8) .
W10 O30 1.930(9) .
W10 O36 2.300(9) .
W11 O48 1.724(10) .
W11 O49 1.920(11) .
W11 O59 1.936(9) .
W11 O45 1.948(10) .
W11 O41 1.971(9) .
W11 O46 2.226(9) .
W12 O50 1.664(11) .
W12 O42 1.844(11) .
W12 O47 1.905(10) .
W12 O49 1.917(12) .
W12 O60 2.051(12) .
W12 O46 2.192(8) .
W13 O54 1.712(9) .
W13 O43 1.786(10) .
W13 O51 1.927(10) .
W13 O55 1.937(10) .
W13 O61 2.140(10) .
W13 O52 2.222(9) .
W14 O56 1.715(10) .
W14 O44 1.824(9) .
W14 O55 1.913(9) .
W14 O53 1.914(9) .
W14 O62 2.162(9) .
W14 O52 2.235(9) .
W15 O57 1.716(11) .
W15 O45 1.849(10) .
W15 O51 1.868(10) .
W15 O63 1.920(9) .
W15 O64 1.932(9) .
W15 O75 2.324(9) .
W16 O58 1.713(12) .
W16 O53 1.878(9) .
W16 O47 1.884(9) .
W16 O65 1.938(11) .
W16 O66 1.960(11) .
W16 O76 2.361(10) .
W17 O68 1.728(11) .
W17 O63 1.875(10) .
W17 O67 1.906(11) .
W17 O73 1.929(10) .
W17 O59 1.944(9) .
W17 O75 2.301(9) .
W18 O69 1.696(10) .
W18 O67 1.887(12) .
W18 O65 1.908(12) .
W18 O60 1.915(10) .
W18 O74 1.941(9) .
W18 O76 2.287(9) .
W19 O71 1.719(10) .
W19 O64 1.855(10) .
W19 O70 1.929(10) .
W19 O61 1.963(9) .
W19 O73 1.973(10) .
W19 O75 2.325(8) .
W20 O72 1.756(10) .
W20 O70 1.876(10) .
W20 O66 1.889(10) .
W20 O74 1.910(10) .
W20 O62 1.960(10) .
W20 O76 2.299(9) .
Pd1 O37 1.978(10) .
Pd1 O2 1.989(9) .
Pd1 O1 1.995(8) .
Pd1 O38 1.995(9) .
Pd2 O39 1.979(10) .
Pd2 O3 1.990(11) .
Pd2 O4 1.994(10) .
Pd2 O40 2.002(11) .
Pd3 O41 1.989(10) .
Pd3 O78 1.997(10) .
Pd3 O42 2.012(10) .
Pd3 O77 2.014(10) .
Pd4 O44 1.977(9) .
Pd4 O43 1.992(9) .
Pd4 O80 2.009(8) .
Pd4 O79 2.018(10) .
Cl1 C901 1.79(3) .
Cl2 C902 1.82(3) .
Si1 O6 1.604(9) .
Si1 O12 1.622(9) .
Si1 O35 1.629(9) .
Si1 O36 1.644(9) .
Si2 O52 1.595(9) .
Si2 O46 1.612(9) .
Si2 O75 1.642(9) .
Si2 O76 1.648(9) .
O37 C1 1.290(17) .
O38 C2 1.269(17) .
O39 C1 1.237(17) .
O40 C2 1.227(18) .
O77 C6 1.237(16) .
O78 C7 1.284(19) .
O79 C6 1.267(16) .
O80 C7 1.224(18) .
N1 C109 1.491(19) .
N1 C105 1.54(2) .
N1 C101 1.55(2) .
N1 C113 1.56(2) .
N2 C209 1.48(3) .
N2 C205 1.51(2) .
N2 C213 1.53(2) .
N2 C201 1.58(2) .
N3 C305 1.50(2) .
N3 C313 1.53(2) .
N3 C301 1.56(3) .
N3 C309 1.56(2) .
N4 C413 1.46(6) .
N4 C459 1.47(6) .
N4 C405 1.53(3) .
N4 C409 1.54(7) .
N4 C401 1.61(3) .
N4 C463 1.65(5) .
N5 C509 1.48(3) .
N5 C501 1.51(3) .
N5 C505 1.55(3) .
N5 C513 1.55(3) .
N6 C605 1.48(3) .
N6 C601 1.54(3) .
N6 C613 1.54(3) .
N6 C609 1.57(3) .
N7 C705 1.36(6) .
N7 C713 1.57(4) .
N7 C709 1.64(3) .
N7 C701 1.69(4) .
N7 C755 1.86(7) .
N8 C805 1.50(3) .
N8 C801 1.53(3) .
N8 C813 1.53(3) .
N8 C809 1.55(3) .
C1 C3 1.53(2) .
C3 C4 1.53(2) .
C4 C5 1.53(2) .
C5 C2 1.56(2) 3_566
C2 C5 1.56(2) 3_566
C6 C8 1.527(19) .
C8 C9 1.63(2) .
C9 C10 1.51(2) .
C10 C7 1.55(2) 3_567
C7 C10 1.55(2) 3_567
C101 C102 1.57(3) .
C102 C103 1.53(3) .
C103 C104 1.47(4) .
C105 C106 1.58(3) .
C106 C107 1.55(4) .
C107 C108 1.09(7) .
C107 C158 1.63(10) .
C109 C110 1.50(2) .
C110 C111 1.62(4) .
C111 C112 1.48(5) .
C113 C114 1.48(2) .
C114 C115 1.50(3) .
C115 C116 1.54(3) .
C201 C202 1.54(3) .
C202 C203 1.54(3) .
C203 C204 1.58(3) .
C205 C206 1.56(3) .
C206 C207 1.59(3) .
C207 C208 1.39(3) .
C209 C210 1.65(3) .
C210 C211 1.53(4) .
C211 C262 1.35(5) .
C211 C212 1.54(6) .
C212 C262 1.71(7) .
C213 C214 1.62(2) .
C214 C215 1.57(3) .
C215 C266 1.51(4) .
C215 C216 1.64(8) .
C216 C266 1.08(8) .
C301 C302 1.60(3) .
C302 C303 1.40(3) .
C303 C304 1.61(4) .
C305 C306 1.56(3) .
C306 C307 1.52(3) .
C307 C308 1.49(3) .
C309 C310 1.54(3) .
C310 C311 1.51(3) .
C311 C312 1.57(4) .
C313 C314 1.49(3) .
C314 C315 1.53(6) .
C314 C365 1.55(6) .
C315 C365 0.52(7) .
C315 C316 1.53(7) .
C315 C366 1.68(7) .
C316 C366 1.56(6) .
C316 C365 1.67(7) .
C365 C366 1.32(6) .
C401 C402 1.54(3) .
C402 C403 1.46(4) .
C403 C454 1.43(6) .
C403 C404 1.69(9) .
C405 C406 1.54(3) .
C406 C407 1.58(4) .
C407 C408 1.51(7) .
C407 C458 1.56(3) .
C409 C460 1.30(8) .
C409 C410 1.48(8) .
C410 C460 0.57(6) .
C410 C411 1.30(7) .
C410 C461 1.49(7) .
C410 C459 1.81(7) .
C410 C412 1.94(8) .
C411 C412 1.14(6) .
C411 C461 1.54(7) .
C411 C460 1.79(7) .
C412 C461 1.03(6) .
C412 C462 1.56(7) .
C459 C460 1.52(7) .
C460 C461 1.47(6) .
C461 C462 1.09(5) .
C413 C463 0.56(6) .
C413 C414 1.52(8) .
C413 C464 1.96(7) .
C414 C464 0.82(6) .
C414 C463 1.34(7) .
C414 C415 1.39(7) .
C414 C465 2.02(7) .
C415 C465 0.94(6) .
C415 C464 1.40(6) .
C415 C416 1.61(7) .
C415 C466 1.84(7) .
C416 C465 1.88(7) .
C463 C464 1.57(7) .
C464 C465 1.76(7) .
C465 C466 0.91(6) .
C501 C502 1.57(3) .
C502 C503 1.50(3) .
C503 C554 1.06(8) .
C503 C504 1.54(3) .
C504 C554 1.89(9) .
C505 C506 1.68(4) .
C506 C507 1.65(4) .
C507 C508 1.42(13) .
C507 C558 1.60(5) .
C508 C558 1.55(14) .
C509 C510 1.54(5) .
C509 C560 1.54(5) .
C510 C511 1.85(6) .
C511 C512 1.40(7) .
C560 C561 1.86(7) .
C561 C562 1.72(12) .
C513 C514 1.64(3) .
C514 C515 1.53(4) .
C514 C565 1.53(4) .
C515 C566 1.14(13) .
C515 C565 1.33(12) .
C515 C516 1.39(5) .
C516 C565 1.11(11) .
C516 C566 1.41(13) .
C565 C566 2.01(19) .
C601 C602 1.68(4) .
C602 C603 1.36(4) .
C603 C604 1.65(5) .
C605 C606 1.44(3) .
C606 C607 1.50(4) .
C607 C658 1.49(8) .
C607 C608 1.60(7) .
C609 C610 1.51(3) .
C610 C661 1.58(5) .
C610 C611 1.59(5) .
C611 C661 0.99(9) .
C611 C612 1.41(9) .
C611 C662 1.77(10) .
C612 C661 1.45(9) .
C612 C662 1.73(10) .
C661 C662 1.66(9) .
C613 C614 1.48(3) .
C614 C615 1.60(4) .
C615 C616 1.44(5) .
C701 C702 1.43(4) .
C702 C703 1.57(3) .
C703 C754 1.36(5) .
C703 C704 1.87(12) .
C704 C754 1.00(11) .
C705 C755 0.76(7) .
C705 C706 1.84(7) .
C706 C755 1.14(8) .
C706 C707 1.70(8) .
C707 C757 1.34(8) .
C707 C708 1.45(7) .
C707 C756 1.94(9) .
C708 C757 1.25(8) .
C708 C758 1.84(9) .
C755 C756 1.85(7) .
C756 C757 1.27(9) .
C757 C758 1.22(9) .
C709 C710 1.46(4) .
C710 C761 1.37(5) .
C710 C711 1.37(5) .
C711 C762 1.32(10) .
C711 C761 1.39(9) .
C711 C712 1.76(7) .
C712 C762 0.76(9) .
C761 C762 1.76(7) .
C713 C714 1.37(5) .
C713 C764 1.38(5) .
C714 C764 0.96(7) .
C714 C715 1.96(7) .
C715 C765 1.16(8) .
C715 C716 1.35(7) .
C715 C764 1.47(8) .
C716 C765 0.99(9) .
C716 C766 0.99(9) .
C764 C765 1.97(7) .
C765 C766 1.37(7) .
C801 C802 1.54(4) .
C802 C803 1.21(5) .
C802 C853 1.82(12) .
C803 C853 1.17(11) .
C803 C804 1.47(5) .
C804 C854 1.03(10) .
C804 C853 1.17(10) .
C853 C854 1.14(13) .
C805 C806 1.61(4) .
C806 C807 1.52(4) .
C807 C858 1.54(5) .
C807 C808 1.57(4) .
C808 C858 0.77(5) .
C809 C810 1.48(3) .
C810 C811 1.65(4) .
C810 C861 1.83(9) .
C811 C861 1.35(9) .
C811 C812 1.50(5) .
C811 C862 1.88(9) .
C812 C862 0.92(8) .
C812 C861 0.92(8) .
C861 C862 1.09(11) .
C813 C814 1.61(4) .
C814 C815 1.56(4) .
C815 C816 1.34(5) .
C901 C902 1.34(4) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.163 0.021 0.254 945.3 615.7
2 -0.337 0.479 0.254 945.3 587.1
3 -0.163 0.979 0.746 945.2 583.0
4 0.337 0.521 0.746 945.3 619.0
