#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:23:55 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178948 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/77/4117783.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_4117783
loop_
_publ_author_name
'Tomohisa Hirano'
'Kazuhiro Uehara'
'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
;
 Palladium(II) Containing γ-Keggin Silicodecatungstate That Efficiently
 Catalyzes Hydration of Nitriles
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6425
_journal_page_last               6433
_journal_paper_doi               10.1021/ja3006012
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C673 N32 O320 Pd16 Si8 W80'
_chemical_formula_sum            'C168.25 B0 N8 O80 Pd4 Si2 W20'
_chemical_formula_weight         7571.54
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2011-04-21T14:04:33-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 89.94
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.2918(2)
_cell_length_b                   45.0388(4)
_cell_length_c                   29.4768(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     26939.4(5)
_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      193
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.857
_diffrn_measured_fraction_theta_max 0.857
_diffrn_measurement_details
;
scan:
    Number of images: 360
               Slice: -110.0000 - 70.0000
         Image width: 0.5000
            Exp time: 5.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 0.0000
                 XTD: 45.0827
              2theta: -19.9067

;
_diffrn_measurement_device       'Rigaku MicroMax-007'
_diffrn_measurement_device_details
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_method       dtprofit.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       27
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       61
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            64820
_diffrn_reflns_theta_full        29.57
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         1.82
_diffrn_source_current           30.0000
_diffrn_source_power             1.20000
_diffrn_source_voltage           40.0000
_exptl_absorpt_coefficient_mu    8.831
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.867
_exptl_crystal_description       block
_exptl_crystal_F_000             13590
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_platon_squeeze_details
;
;
_refine_diff_density_max         4.368
_refine_diff_density_min         -1.785
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1822
_refine_ls_number_reflns         64820
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_gt           0.0924
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0904P)²+484.0238P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2303
_reflns_number_gt                36825
_reflns_number_total             64820
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja3006012_si_002.cif
_cod_data_source_block           squeezed
_cod_database_code               4117783
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z'
'-x, -y, -z'
'x-1/2, -y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W -0.11927(3) 0.411762(14) 0.14867(2) 0.03565(15) Uani 1 d .
W2 W -0.14482(4) 0.341508(18) 0.16580(4) 0.0597(3) Uani 1 d .
W3 W 0.15798(3) 0.395954(16) 0.16663(3) 0.04660(19) Uani 1 d .
W4 W 0.13041(3) 0.324736(15) 0.16522(3) 0.03855(16) Uani 1 d .
W5 W 0.02879(3) 0.449222(14) 0.19220(3) 0.03792(16) Uani 1 d .
W6 W -0.01996(3) 0.294007(15) 0.21650(3) 0.04312(18) Uani 1 d .
W7 W -0.07368(3) 0.422547(16) 0.26937(3) 0.04129(17) Uani 1 d .
W8 W -0.08748(3) 0.340586(17) 0.28983(3) 0.04469(18) Uani 1 d .
W9 W 0.09041(3) 0.413712(17) 0.28068(3) 0.04178(17) Uani 1 d .
W10 W 0.07723(3) 0.330704(17) 0.28565(3) 0.04368(18) Uani 1 d .
W11 W 0.38086(3) 0.088171(14) 0.35132(2) 0.03536(15) Uani 1 d .
W12 W 0.35527(4) 0.158452(17) 0.33435(4) 0.0595(3) Uani 1 d .
W13 W 0.65813(3) 0.104074(16) 0.33311(3) 0.04663(19) Uani 1 d .
W14 W 0.63037(3) 0.175308(15) 0.33462(3) 0.03863(16) Uani 1 d .
W15 W 0.52905(3) 0.050795(14) 0.30761(3) 0.03787(16) Uani 1 d .
W16 W 0.48012(3) 0.205997(15) 0.28348(3) 0.04306(18) Uani 1 d .
W17 W 0.42675(3) 0.077460(16) 0.23063(3) 0.04080(17) Uani 1 d .
W18 W 0.41292(4) 0.159392(17) 0.21018(3) 0.04442(18) Uani 1 d .
W19 W 0.59082(3) 0.086314(16) 0.21917(3) 0.04113(17) Uani 1 d .
W20 W 0.57758(3) 0.169298(17) 0.21423(3) 0.04332(18) Uani 1 d .
Pd1 Pd -0.07284(6) 0.36525(3) 0.05849(5) 0.0396(3) Uani 1 d .
Pd2 Pd 0.08630(6) 0.35956(3) 0.06354(5) 0.0401(3) Uani 1 d .
Pd3 Pd 0.42702(6) 0.13471(3) 0.44160(5) 0.0393(3) Uani 1 d .
Pd4 Pd 0.58617(6) 0.14041(3) 0.43631(5) 0.0400(3) Uani 1 d .
Si1 Si 0.00436(19) 0.37131(9) 0.19950(16) 0.0302(9) Uani 1 d .
Si2 Si 0.5044(2) 0.12874(9) 0.30058(16) 0.0308(9) Uani 1 d .
O1 O -0.1028(6) 0.4011(2) 0.0920(4) 0.041(3) Uani 1 d .
O2 O -0.1222(6) 0.3399(3) 0.1019(4) 0.048(3) Uani 1 d .
O3 O 0.1368(5) 0.3901(2) 0.0985(4) 0.033(2) Uani 1 d .
O4 O 0.1160(6) 0.3281(3) 0.1060(4) 0.049(3) Uani 1 d .
O5 O -0.0395(5) 0.4350(2) 0.1550(4) 0.038(3) Uani 1 d .
O6 O -0.0597(4) 0.3726(2) 0.1687(4) 0.035(3) Uani 1 d .
O7 O -0.0807(5) 0.3103(2) 0.1758(4) 0.042(3) Uani 1 d .
O8 O -0.1766(5) 0.4395(3) 0.1403(4) 0.046(3) Uani 1 d .
O9 O -0.1813(5) 0.3800(3) 0.1590(4) 0.038(3) Uani 1 d .
O10 O -0.2151(6) 0.3203(3) 0.1644(5) 0.060(4) Uani 1 d .
O11 O 0.0947(5) 0.4278(2) 0.1614(4) 0.035(3) Uani 1 d .
O12 O 0.0727(5) 0.3659(2) 0.1720(4) 0.034(2) Uani 1 d .
O13 O 0.0511(5) 0.3021(2) 0.1760(4) 0.040(3) Uani 1 d .
O14 O 0.2292(5) 0.4153(3) 0.1574(5) 0.052(3) Uani 1 d .
O15 O 0.1932(5) 0.3575(3) 0.1669(4) 0.041(3) Uani 1 d .
O16 O 0.1864(6) 0.2959(3) 0.1647(5) 0.051(3) Uani 1 d .
O17 O 0.0415(6) 0.4843(3) 0.1733(4) 0.048(3) Uani 1 d .
O18 O -0.0314(6) 0.2568(3) 0.2081(5) 0.053(3) Uani 1 d .
O19 O -0.1239(5) 0.4153(3) 0.2188(4) 0.042(3) Uani 1 d .
O20 O -0.1435(5) 0.3484(3) 0.2334(4) 0.048(3) Uani 1 d .
O21 O 0.1518(6) 0.3994(3) 0.2306(4) 0.046(3) Uani 1 d .
O22 O 0.1299(5) 0.3303(2) 0.2357(4) 0.039(3) Uani 1 d .
O23 O -0.0360(6) 0.4555(2) 0.2395(4) 0.041(3) Uani 1 d .
O24 O 0.0896(6) 0.4485(3) 0.2436(4) 0.042(3) Uani 1 d .
O25 O -0.0823(6) 0.3019(3) 0.2635(5) 0.051(3) Uani 1 d .
O26 O 0.0410(6) 0.2937(3) 0.2659(4) 0.046(3) Uani 1 d .
O27 O -0.0828(6) 0.3826(3) 0.2914(4) 0.045(3) Uani 1 d .
O28 O -0.1269(6) 0.4419(3) 0.3037(5) 0.064(4) Uani 1 d .
O29 O -0.1447(6) 0.3347(3) 0.3320(4) 0.053(3) Uani 1 d .
O30 O 0.0846(6) 0.3729(3) 0.2941(4) 0.045(3) Uani 1 d .
O31 O 0.1440(7) 0.4249(3) 0.3223(4) 0.058(4) Uani 1 d .
O32 O 0.1262(6) 0.3184(3) 0.3291(5) 0.057(4) Uani 1 d .
O33 O 0.0100(6) 0.4236(3) 0.3072(4) 0.043(3) Uani 1 d .
O34 O -0.0078(6) 0.3345(3) 0.3206(5) 0.054(3) Uani 1 d .
O35 O 0.0116(5) 0.4026(2) 0.2277(4) 0.037(3) Uani 1 d .
O36 O -0.0045(5) 0.3445(2) 0.2360(4) 0.037(3) Uani 1 d .
O37 O -0.0387(6) 0.3917(3) 0.0088(4) 0.052(3) Uani 1 d .
O38 O -0.0562(6) 0.3285(3) 0.0204(5) 0.067(4) Uani 1 d .
O39 O 0.0707(6) 0.3916(3) 0.0183(4) 0.054(3) Uani 1 d .
O40 O 0.0548(6) 0.3281(3) 0.0207(5) 0.063(4) Uani 1 d .
O41 O 0.3965(5) 0.0993(2) 0.4095(4) 0.036(3) Uani 1 d .
O42 O 0.3775(5) 0.1610(2) 0.3985(4) 0.040(3) Uani 1 d .
O43 O 0.6367(5) 0.1099(2) 0.4012(4) 0.038(3) Uani 1 d .
O44 O 0.6145(6) 0.1718(3) 0.3945(4) 0.047(3) Uani 1 d .
O45 O 0.4603(5) 0.0645(2) 0.3451(4) 0.033(2) Uani 1 d .
O46 O 0.4410(5) 0.1272(2) 0.3315(4) 0.032(2) Uani 1 d .
O47 O 0.4193(6) 0.1892(2) 0.3240(4) 0.042(3) Uani 1 d .
O48 O 0.3238(6) 0.0599(3) 0.3602(4) 0.045(3) Uani 1 d .
O49 O 0.3186(5) 0.1203(2) 0.3413(4) 0.039(3) Uani 1 d .
O50 O 0.2852(6) 0.1796(3) 0.3356(5) 0.056(3) Uani 1 d .
O51 O 0.5940(5) 0.0719(2) 0.3389(3) 0.032(2) Uani 1 d .
O52 O 0.5710(5) 0.1341(2) 0.3279(4) 0.038(3) Uani 1 d .
O53 O 0.5510(5) 0.1975(3) 0.3229(4) 0.045(3) Uani 1 d .
O54 O 0.7292(6) 0.0845(3) 0.3428(5) 0.054(3) Uani 1 d .
O55 O 0.6926(5) 0.1432(3) 0.3327(4) 0.044(3) Uani 1 d .
O56 O 0.6857(6) 0.2040(3) 0.3337(5) 0.054(3) Uani 1 d .
O57 O 0.5422(6) 0.0156(2) 0.3273(4) 0.046(3) Uani 1 d .
O58 O 0.4677(6) 0.2433(3) 0.2921(5) 0.056(3) Uani 1 d .
O59 O 0.3773(4) 0.0848(2) 0.2818(4) 0.041(3) Uani 1 d .
O60 O 0.3564(5) 0.1509(3) 0.2661(5) 0.047(3) Uani 1 d .
O61 O 0.6532(6) 0.1010(3) 0.2701(4) 0.049(3) Uani 1 d .
O62 O 0.6305(5) 0.1694(2) 0.2650(4) 0.046(3) Uani 1 d .
O63 O 0.4637(6) 0.0440(2) 0.2607(4) 0.040(3) Uani 1 d .
O64 O 0.5898(5) 0.0511(2) 0.2559(4) 0.039(3) Uani 1 d .
O65 O 0.4165(6) 0.1985(3) 0.2362(4) 0.050(3) Uani 1 d .
O66 O 0.5406(6) 0.2065(2) 0.2339(4) 0.043(3) Uani 1 d .
O67 O 0.4186(6) 0.1175(3) 0.2088(5) 0.052(3) Uani 1 d .
O68 O 0.3738(6) 0.0582(3) 0.1942(5) 0.058(4) Uani 1 d .
O69 O 0.3568(6) 0.1657(3) 0.1684(4) 0.058(4) Uani 1 d .
O70 O 0.5854(5) 0.1276(3) 0.2056(4) 0.040(3) Uani 1 d .
O71 O 0.6443(7) 0.0754(3) 0.1779(4) 0.057(4) Uani 1 d .
O72 O 0.6276(6) 0.1814(3) 0.1710(5) 0.061(4) Uani 1 d .
O73 O 0.5097(6) 0.0764(3) 0.1930(4) 0.044(3) Uani 1 d .
O74 O 0.4921(7) 0.1651(3) 0.1781(5) 0.062(4) Uani 1 d .
O75 O 0.5113(5) 0.0974(2) 0.2727(4) 0.040(3) Uani 1 d .
O76 O 0.4966(5) 0.1557(3) 0.2636(4) 0.038(3) Uani 1 d .
O77 O 0.4615(6) 0.1080(3) 0.4908(4) 0.054(3) Uani 1 d .
O78 O 0.4443(6) 0.1713(3) 0.4786(5) 0.057(4) Uani 1 d .
O79 O 0.5720(6) 0.1089(3) 0.4822(4) 0.056(3) Uani 1 d .
O80 O 0.5542(6) 0.1719(3) 0.4792(5) 0.061(4) Uani 1 d .
N001 N 0.25 0.8040(7) 0.5 0.084(9) Uiso 1 d S
N002 N 0.25 0.3042(7) 0 0.082(8) Uiso 1 d S
N003 N 0.25 0.0862(5) 0.5 0.043(5) Uiso 1 d S
N004 N 0.2704(9) 0.2636(4) 0.2672(6) 0.060(4) Uiso 1 d .
N005 N 0.2531(8) 0.0035(4) 0.2798(6) 0.060(5) Uiso 1 d .
N006 N 0.5423(16) 0.1166(7) 0.0640(11) 0.137(10) Uiso 1 d .
N007 N 0.2523(9) 0.5035(4) 0.2194(6) 0.063(5) Uiso 1 d .
N008 N 0.0463(15) 0.3825(7) 0.4360(11) 0.129(10) Uiso 1 d .
N009 N 0.2712(9) 0.7637(4) 0.2308(6) 0.064(5) Uiso 1 d .
N010 N 0.25 0.5870(5) 0 0.057(6) Uiso 1 d S
C1 C 0.0190(9) 0.4002(4) -0.0011(6) 0.045(4) Uiso 1 d .
C2 C 0.0000(11) 0.3188(5) 0.0083(7) 0.057(5) Uiso 1 d .
C3 C 0.0278(12) 0.4226(5) -0.0391(8) 0.070(6) Uiso 1 d .
C4 C -0.0034(12) 0.2951(6) -0.0273(9) 0.078(7) Uiso 1 d .
C5 C 0.4990(9) 0.1802(4) 0.4907(6) 0.046(4) Uiso 1 d .
C6 C 0.5179(10) 0.0999(4) 0.4989(7) 0.050(5) Uiso 1 d .
C7 C 0.4962(13) 0.2061(6) 0.5263(9) 0.081(7) Uiso 1 d .
C8 C 0.5272(12) 0.0767(5) 0.5374(8) 0.073(6) Uiso 1 d .
C001 C 0.3137(10) 0.5685(5) -0.0015(7) 0.052(5) Uiso 1 d .
C002 C 0.3177(10) 0.5435(5) 0.0361(7) 0.058(5) Uiso 1 d .
C003 C 0.3902(9) 0.5324(4) 0.0339(6) 0.046(4) Uiso 1 d .
C004 C 0.4039(9) 0.5087(4) 0.0683(7) 0.051(5) Uiso 1 d .
C005 C 0.4776(14) 0.5012(6) 0.0707(10) 0.087(8) Uiso 1 d .
C006 C 0.2511(12) 0.6047(6) 0.0442(8) 0.073(7) Uiso 1 d .
C007 C 0.196(3) 0.6294(12) 0.0414(18) 0.097(6) Uiso 0.67(3) d P
C008 C 0.198(2) 0.6461(10) 0.0879(16) 0.097(6) Uiso 0.67(3) d P
C009 C 0.133(2) 0.6655(10) 0.0956(16) 0.097(6) Uiso 0.67(3) d P
C010 C 0.077(2) 0.6486(10) 0.1089(18) 0.097(6) Uiso 0.67(3) d P
C057 C 0.183(5) 0.620(2) 0.055(4) 0.097(6) Uiso 0.33(3) d P
C058 C 0.167(5) 0.625(2) 0.113(3) 0.097(6) Uiso 0.33(3) d P
C059 C 0.096(5) 0.648(2) 0.138(4) 0.097(6) Uiso 0.33(3) d P
C060 C 0.123(5) 0.675(2) 0.139(3) 0.097(6) Uiso 0.33(3) d P
C101 C 0.2042(12) 0.7846(6) 0.4699(9) 0.076(7) Uiso 1 d .
C102 C 0.2448(17) 0.7629(8) 0.4413(12) 0.116(11) Uiso 1 d .
C103 C 0.194(2) 0.7384(10) 0.4201(14) 0.139(13) Uiso 1 d .
C104 C 0.219(6) 0.706(3) 0.426(5) 0.148(16) Uiso 0.38(7) d P
C105 C 0.188(7) 0.687(3) 0.385(4) 0.148(16) Uiso 0.38(7) d P
C154 C 0.229(4) 0.7124(18) 0.393(3) 0.148(16) Uiso 0.62(7) d P
C155 C 0.148(4) 0.6910(17) 0.378(3) 0.148(16) Uiso 0.62(7) d P
C106 C 0.2968(13) 0.8236(6) 0.4737(9) 0.083(7) Uiso 1 d .
C107 C 0.2639(14) 0.8479(7) 0.4413(10) 0.093(8) Uiso 1 d .
C108 C 0.318(3) 0.8696(13) 0.4195(19) 0.095(8) Uiso 0.62(4) d P
C109 C 0.352(3) 0.8446(13) 0.369(2) 0.095(8) Uiso 0.62(4) d P
C110 C 0.397(2) 0.8579(11) 0.3423(17) 0.095(8) Uiso 0.62(4) d P
C158 C 0.323(5) 0.857(2) 0.406(3) 0.095(8) Uiso 0.38(4) d P
C159 C 0.355(5) 0.838(2) 0.386(3) 0.095(8) Uiso 0.38(4) d P
C160 C 0.384(4) 0.8608(18) 0.397(3) 0.095(8) Uiso 0.38(4) d P
C201 C 0.2053(13) 0.2861(6) 0.0309(9) 0.083(7) Uiso 1 d .
C202 C 0.2460(16) 0.2628(7) 0.0603(11) 0.104(9) Uiso 1 d .
C203 C 0.1943(18) 0.2417(8) 0.0816(12) 0.122(11) Uiso 1 d .
C204 C 0.230(3) 0.2130(14) 0.1047(19) 0.20(2) Uiso 1 d .
C205 C 0.173(4) 0.1871(18) 0.118(3) 0.28(3) Uiso 1 d .
C206 C 0.2967(13) 0.3239(6) 0.0237(9) 0.084(7) Uiso 1 d .
C207 C 0.267(2) 0.3435(9) 0.0613(15) 0.089(6) Uiso 0.75(3) d P
C208 C 0.320(2) 0.3616(10) 0.0866(14) 0.089(6) Uiso 0.75(3) d P
C209 C 0.3508(19) 0.3410(9) 0.1245(13) 0.089(6) Uiso 0.75(3) d P
C210 C 0.3945(19) 0.3570(9) 0.1538(14) 0.089(6) Uiso 0.75(3) d P
C257 C 0.267(7) 0.355(3) 0.051(5) 0.089(6) Uiso 0.25(3) d P
C258 C 0.312(6) 0.377(3) 0.074(4) 0.089(6) Uiso 0.25(3) d P
C259 C 0.373(7) 0.361(3) 0.089(4) 0.089(6) Uiso 0.25(3) d P
C260 C 0.400(6) 0.371(3) 0.115(4) 0.089(6) Uiso 0.25(3) d P
C301 C 0.1885(9) 0.0662(4) 0.4982(6) 0.047(4) Uiso 1 d .
C302 C 0.1824(9) 0.0430(4) 0.5341(6) 0.044(4) Uiso 1 d .
C303 C 0.1086(9) 0.0320(4) 0.5340(6) 0.043(4) Uiso 1 d .
C304 C 0.0950(12) 0.0093(6) 0.5718(8) 0.048(5) Uiso 0.83(3) d P
C305 C 0.0193(13) 0.0010(5) 0.5713(8) 0.048(5) Uiso 0.83(3) d P
C354 C 0.114(6) -0.006(3) 0.568(4) 0.048(5) Uiso 0.17(3) d P
C355 C 0.062(6) -0.002(3) 0.576(4) 0.048(5) Uiso 0.17(3) d P
C306 C 0.2504(11) 0.1051(5) 0.4568(8) 0.068(6) Uiso 1 d .
C307 C 0.1940(13) 0.1268(6) 0.4570(9) 0.084(8) Uiso 1 d .
C308 C 0.198(2) 0.1466(11) 0.4128(16) 0.155(15) Uiso 1 d .
C309 C 0.130(3) 0.1654(13) 0.401(2) 0.131(13) Uiso 0.68(4) d P
C310 C 0.087(3) 0.1504(15) 0.377(2) 0.131(13) Uiso 0.68(4) d P
C359 C 0.157(6) 0.127(3) 0.388(4) 0.131(13) Uiso 0.33(4) d P
C360 C 0.074(7) 0.149(3) 0.401(5) 0.131(13) Uiso 0.33(4) d P
C401 C 0.2853(11) 0.2526(5) 0.3157(8) 0.067(6) Uiso 1 d .
C402 C 0.2296(15) 0.2566(7) 0.3483(10) 0.097(9) Uiso 1 d .
C403 C 0.2503(15) 0.2449(7) 0.3958(11) 0.100(9) Uiso 1 d .
C404 C 0.187(3) 0.2439(12) 0.4319(18) 0.178(18) Uiso 1 d .
C405 C 0.210(5) 0.230(3) 0.484(4) 0.20(3) Uiso 0.46(5) d P
C455 C 0.161(5) 0.274(3) 0.446(3) 0.20(3) Uiso 0.54(5) d P
C406 C 0.2631(12) 0.2984(5) 0.2668(8) 0.070(6) Uiso 1 d .
C407 C 0.3256(13) 0.3140(6) 0.2824(9) 0.082(7) Uiso 1 d .
C408 C 0.2999(16) 0.3481(7) 0.2742(11) 0.102(9) Uiso 1 d .
C409 C 0.3551(19) 0.3689(9) 0.2846(13) 0.131(12) Uiso 1 d .
C410 C 0.353(8) 0.401(3) 0.286(4) 0.097(13) Uiso 0.28(7) d P
C460 C 0.313(3) 0.4013(10) 0.2753(16) 0.097(13) Uiso 0.73(7) d P
C411 C 0.3305(11) 0.2548(5) 0.2387(8) 0.069(6) Uiso 1 d .
C412 C 0.3271(14) 0.2657(7) 0.1903(10) 0.092(8) Uiso 1 d .
C413 C 0.3824(14) 0.2518(6) 0.1600(10) 0.089(8) Uiso 1 d .
C414 C 0.4491(16) 0.2645(7) 0.1772(11) 0.103(9) Uiso 1 d .
C415 C 0.5048(17) 0.2489(8) 0.1426(11) 0.111(10) Uiso 1 d .
C416 C 0.2045(11) 0.2531(5) 0.2505(8) 0.068(6) Uiso 1 d .
C417 C 0.213(3) 0.2135(15) 0.241(2) 0.106(8) Uiso 0.56(3) d P
C418 C 0.115(3) 0.2119(14) 0.242(2) 0.106(8) Uiso 0.56(3) d P
C419 C 0.097(3) 0.2024(14) 0.264(2) 0.106(8) Uiso 0.56(3) d P
C420 C 0.030(3) 0.1745(14) 0.252(2) 0.106(8) Uiso 0.56(3) d P
C467 C 0.188(4) 0.2176(19) 0.255(3) 0.106(8) Uiso 0.44(3) d P
C468 C 0.146(4) 0.2023(18) 0.216(3) 0.106(8) Uiso 0.44(3) d P
C469 C 0.095(4) 0.1816(18) 0.231(3) 0.106(8) Uiso 0.44(3) d P
C470 C 0.022(4) 0.1842(18) 0.224(3) 0.106(8) Uiso 0.44(3) d P
C501 C 0.2347(11) -0.0160(5) 0.2377(8) 0.065(6) Uiso 1 d .
C502 C 0.279(2) -0.0065(9) 0.1975(15) 0.143(14) Uiso 1 d .
C503 C 0.247(2) -0.0217(9) 0.1536(15) 0.139(13) Uiso 1 d .
C504 C 0.283(6) -0.015(3) 0.107(4) 0.21(3) Uiso 0.54(5) d P
C505 C 0.273(6) -0.036(3) 0.068(4) 0.21(3) Uiso 0.54(5) d P
C554 C 0.312(7) -0.043(3) 0.129(5) 0.21(3) Uiso 0.46(5) d P
C555 C 0.321(7) -0.051(3) 0.079(5) 0.21(3) Uiso 0.46(5) d P
C506 C 0.3258(9) 0.0004(4) 0.2912(7) 0.049(5) Uiso 1 d .
C507 C 0.3426(13) -0.0319(6) 0.3082(9) 0.082(7) Uiso 1 d .
C508 C 0.4185(13) -0.0330(6) 0.3096(9) 0.081(7) Uiso 1 d .
C509 C 0.4390(18) -0.0639(8) 0.3261(12) 0.118(11) Uiso 1 d .
C510 C 0.518(2) -0.0663(9) 0.3311(14) 0.143(14) Uiso 1 d .
C511 C 0.2069(11) -0.0091(5) 0.3172(8) 0.062(6) Uiso 1 d .
C512 C 0.2130(13) 0.0105(6) 0.3605(9) 0.086(8) Uiso 1 d .
C513 C 0.1713(12) -0.0039(6) 0.3986(9) 0.073(6) Uiso 1 d .
C514 C 0.2094(17) -0.0317(7) 0.4235(11) 0.061(6) Uiso 0.73(4) d P
C515 C 0.1551(17) -0.0428(7) 0.4638(10) 0.061(6) Uiso 0.73(4) d P
C564 C 0.183(5) -0.021(2) 0.426(3) 0.061(6) Uiso 0.27(4) d P
C565 C 0.194(5) -0.0514(19) 0.471(3) 0.061(6) Uiso 0.27(4) d P
C516 C 0.2451(10) 0.0365(4) 0.2732(7) 0.053(5) Uiso 1 d .
C517 C 0.1734(15) 0.0452(7) 0.2559(10) 0.095(9) Uiso 1 d .
C518 C 0.172(3) 0.0748(16) 0.244(3) 0.106(9) Uiso 0.52(3) d P
C519 C 0.209(3) 0.0867(14) 0.201(3) 0.106(9) Uiso 0.52(3) d P
C520 C 0.205(3) 0.1233(15) 0.228(2) 0.106(9) Uiso 0.52(3) d P
C568 C 0.177(4) 0.0837(17) 0.273(3) 0.106(9) Uiso 0.49(3) d P
C569 C 0.227(4) 0.0918(17) 0.231(3) 0.106(9) Uiso 0.49(3) d P
C570 C 0.203(3) 0.1043(17) 0.260(3) 0.106(9) Uiso 0.49(3) d P
C601 C 0.606(2) 0.1204(10) 0.0945(15) 0.151(15) Uiso 1 d .
C602 C 0.668(2) 0.1274(9) 0.0689(14) 0.140(13) Uiso 1 d .
C603 C 0.721(3) 0.1348(12) 0.1053(17) 0.179(18) Uiso 1 d .
C604 C 0.795(4) 0.145(3) 0.079(3) 0.20(2) Uiso 0.74(6) d P
C605 C 0.804(4) 0.173(2) 0.070(3) 0.20(2) Uiso 0.74(6) d P
C654 C 0.803(12) 0.124(8) 0.092(8) 0.20(2) Uiso 0.26(6) d P
C655 C 0.805(11) 0.102(5) 0.061(8) 0.20(2) Uiso 0.26(6) d P
C606 C 0.535(2) 0.1451(11) 0.0299(16) 0.165(17) Uiso 1 d .
C607 C 0.524(2) 0.1724(12) 0.0634(17) 0.170(17) Uiso 1 d .
C608 C 0.508(4) 0.1996(18) 0.024(3) 0.29(4) Uiso 1 d .
C609 C 0.425(4) 0.1962(17) -0.004(3) 0.26(3) Uiso 1 d .
C610 C 0.363(9) 0.166(4) -0.003(6) 0.17(2) Uiso 0.26(5) d P
C660 C 0.384(3) 0.2021(15) 0.039(2) 0.17(2) Uiso 0.74(5) d P
C611 C 0.4842(18) 0.1076(8) 0.0932(12) 0.117(11) Uiso 1 d .
C612 C 0.423(2) 0.1041(10) 0.0693(15) 0.146(14) Uiso 1 d .
C613 C 0.369(2) 0.0974(10) 0.1049(15) 0.147(14) Uiso 1 d .
C614 C 0.296(3) 0.0944(12) 0.0802(19) 0.19(2) Uiso 1 d .
C615 C 0.242(5) 0.089(2) 0.129(3) 0.36(5) Uiso 1 d .
C616 C 0.563(2) 0.0918(10) 0.0281(15) 0.145(14) Uiso 1 d .
C617 C 0.575(3) 0.0605(13) 0.0523(18) 0.185(19) Uiso 1 d .
C618 C 0.586(3) 0.0382(16) 0.005(2) 0.23(3) Uiso 1 d .
C619 C 0.606(4) 0.012(2) 0.040(3) 0.33(4) Uiso 1 d .
C620 C 0.612(3) -0.0183(17) 0.000(2) 0.25(3) Uiso 1 d .
C701 C 0.2080(11) 0.4904(5) 0.1821(8) 0.064(6) Uiso 1 d .
C702 C 0.2128(13) 0.5102(6) 0.1387(9) 0.080(7) Uiso 1 d .
C703 C 0.1709(13) 0.4956(6) 0.1000(10) 0.085(8) Uiso 1 d .
C704 C 0.210(2) 0.4674(8) 0.0784(12) 0.065(6) Uiso 0.72(6) d P
C705 C 0.166(2) 0.4570(8) 0.0359(12) 0.065(6) Uiso 0.72(6) d P
C754 C 0.183(5) 0.475(2) 0.073(3) 0.065(6) Uiso 0.29(6) d P
C755 C 0.133(6) 0.4570(19) 0.041(3) 0.065(6) Uiso 0.29(6) d P
C706 C 0.2444(12) 0.5368(6) 0.2280(8) 0.071(6) Uiso 1 d .
C707 C 0.1710(15) 0.5437(7) 0.2441(11) 0.102(9) Uiso 1 d .
C708 C 0.173(5) 0.579(2) 0.243(3) 0.110(9) Uiso 0.49(3) d P
C709 C 0.185(4) 0.5952(17) 0.221(3) 0.110(9) Uiso 0.49(3) d P
C710 C 0.201(3) 0.6255(16) 0.244(3) 0.110(9) Uiso 0.49(3) d P
C758 C 0.172(5) 0.574(2) 0.256(3) 0.110(9) Uiso 0.52(3) d P
C759 C 0.215(3) 0.5933(15) 0.280(2) 0.110(9) Uiso 0.52(3) d P
C760 C 0.209(3) 0.6242(15) 0.286(2) 0.110(9) Uiso 0.52(3) d P
C711 C 0.2339(13) 0.4855(6) 0.2628(9) 0.081(7) Uiso 1 d .
C712 C 0.282(3) 0.4890(14) 0.302(2) 0.095(7) Uiso 0.53(2) d P
C713 C 0.264(3) 0.4704(13) 0.342(2) 0.095(7) Uiso 0.53(2) d P
C714 C 0.302(3) 0.4730(14) 0.382(2) 0.095(7) Uiso 0.53(2) d P
C715 C 0.264(3) 0.4623(13) 0.4250(19) 0.095(7) Uiso 0.53(2) d P
C762 C 0.262(3) 0.5021(16) 0.306(2) 0.095(7) Uiso 0.47(2) d P
C763 C 0.226(3) 0.4845(15) 0.352(2) 0.095(7) Uiso 0.47(2) d P
C764 C 0.280(4) 0.4933(16) 0.389(2) 0.095(7) Uiso 0.47(2) d P
C765 C 0.231(3) 0.5011(14) 0.391(2) 0.095(7) Uiso 0.47(2) d P
C716 C 0.3238(11) 0.5005(5) 0.2073(8) 0.063(6) Uiso 1 d .
C717 C 0.3425(14) 0.4677(6) 0.1922(10) 0.090(8) Uiso 1 d .
C718 C 0.4205(12) 0.4660(6) 0.1883(8) 0.073(7) Uiso 1 d .
C719 C 0.4419(15) 0.4359(7) 0.1735(10) 0.100(9) Uiso 1 d .
C720 C 0.5189(18) 0.4338(8) 0.1697(12) 0.122(11) Uiso 1 d .
C801 C 0.033(2) 0.3556(10) 0.4672(15) 0.150(15) Uiso 1 d .
C802 C 0.027(2) 0.3273(11) 0.4352(15) 0.153(15) Uiso 1 d .
C803 C 0.003(4) 0.3021(16) 0.467(2) 0.25(3) Uiso 1 d .
C804 C -0.077(5) 0.307(2) 0.502(4) 0.31(4) Uiso 1 d .
C805 C -0.060(8) 0.309(4) 0.551(6) 0.13(2) Uiso 0.24(5) d P
C855 C -0.129(6) 0.306(3) 0.460(4) 0.13(2) Uiso 0.34(7) d P
C895 C -0.099(5) 0.288(3) 0.455(3) 0.13(2) Uiso 0.42(7) d P
C806 C -0.0162(19) 0.3892(8) 0.4055(13) 0.126(12) Uiso 1 d .
C807 C -0.079(2) 0.3936(9) 0.4327(14) 0.137(13) Uiso 1 d .
C808 C -0.127(2) 0.4069(10) 0.3980(15) 0.147(14) Uiso 1 d .
C809 C -0.196(3) 0.4056(15) 0.419(2) 0.22(2) Uiso 1 d .
C810 C -0.223(12) 0.376(6) 0.447(9) 0.26(4) Uiso 0.29(7) d P
C860 C -0.268(5) 0.423(2) 0.394(3) 0.26(4) Uiso 0.72(7) d P
C811 C 0.059(2) 0.4087(11) 0.4743(16) 0.166(17) Uiso 1 d .
C812 C 0.070(2) 0.4410(12) 0.4449(18) 0.178(18) Uiso 1 d .
C813 C 0.081(3) 0.4612(15) 0.493(2) 0.22(2) Uiso 1 d .
C814 C 0.111(4) 0.495(2) 0.466(3) 0.31(4) Uiso 1 d .
C815 C 0.111(4) 0.522(2) 0.503(3) 0.31(4) Uiso 1 d .
C816 C 0.1087(19) 0.3782(8) 0.4069(13) 0.126(12) Uiso 1 d .
C817 C 0.169(2) 0.3729(9) 0.4310(13) 0.130(12) Uiso 1 d .
C818 C 0.221(2) 0.3676(10) 0.3929(15) 0.152(15) Uiso 1 d .
C819 C 0.294(5) 0.366(2) 0.410(3) 0.31(4) Uiso 1 d .
C820 C 0.307(5) 0.332(2) 0.436(3) 0.34(4) Uiso 1 d .
C901 C 0.2615(11) 0.7974(5) 0.2332(8) 0.062(6) Uiso 1 d .
C902 C 0.3249(15) 0.8150(7) 0.2168(10) 0.096(9) Uiso 1 d .
C903 C 0.3025(17) 0.8497(8) 0.2263(11) 0.111(10) Uiso 1 d .
C904 C 0.359(2) 0.8696(10) 0.2124(15) 0.155(15) Uiso 1 d .
C905 C 0.323(3) 0.9010(12) 0.222(2) 0.104(14) Uiso 0.71(10) d P
C955 C 0.344(7) 0.907(3) 0.202(6) 0.104(14) Uiso 0.29(10) d P
C906 C 0.3282(11) 0.7530(5) 0.2628(8) 0.067(6) Uiso 1 d .
C907 C 0.3259(12) 0.7656(5) 0.3099(8) 0.071(6) Uiso 1 d .
C908 C 0.3810(14) 0.7528(7) 0.3416(10) 0.092(8) Uiso 1 d .
C909 C 0.4489(16) 0.7663(7) 0.3233(11) 0.107(10) Uiso 1 d .
C910 C 0.5062(16) 0.7512(7) 0.3565(11) 0.106(10) Uiso 1 d .
C911 C 0.2015(12) 0.7525(5) 0.2489(8) 0.069(6) Uiso 1 d .
C912 C 0.1993(17) 0.7182(8) 0.2495(12) 0.113(10) Uiso 1 d .
C913 C 0.136(3) 0.7068(16) 0.276(2) 0.135(12) Uiso 0.65(4) d P
C914 C 0.101(3) 0.7093(16) 0.242(3) 0.135(12) Uiso 0.65(4) d P
C915 C 0.028(3) 0.6796(14) 0.253(2) 0.135(12) Uiso 0.65(4) d P
C963 C 0.108(6) 0.724(3) 0.255(5) 0.135(12) Uiso 0.35(4) d P
C964 C 0.091(6) 0.685(3) 0.262(4) 0.135(12) Uiso 0.35(4) d P
C965 C 0.026(6) 0.678(3) 0.289(5) 0.135(12) Uiso 0.35(4) d P
C916 C 0.2864(11) 0.7518(5) 0.1829(8) 0.065(6) Uiso 1 d .
C917 C 0.2312(15) 0.7567(7) 0.1501(10) 0.097(9) Uiso 1 d .
C918 C 0.256(2) 0.7469(9) 0.1037(14) 0.136(13) Uiso 1 d .
C919 C 0.190(3) 0.7436(12) 0.0694(17) 0.179(18) Uiso 1 d .
C920 C 0.158(7) 0.776(3) 0.057(4) 0.48(7) 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'
Si Si 0.0817 0.0704 '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'
B B 0.0013 0.0007 '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
O8 W1 O1 100.8(6) . .
O8 W1 O9 96.9(5) . .
O1 W1 O9 94.0(5) . .
O8 W1 O5 100.7(5) . .
O1 W1 O5 94.6(5) . .
O9 W1 O5 158.6(5) . .
O8 W1 O19 93.3(5) . .
O1 W1 O19 165.8(5) . .
O9 W1 O19 82.6(5) . .
O5 W1 O19 84.3(4) . .
O8 W1 O6 169.0(5) . .
O1 W1 O6 86.1(5) . .
O9 W1 O6 74.0(4) . .
O5 W1 O6 87.0(4) . .
O19 W1 O6 79.7(4) . .
O10 W2 O9 100.4(5) . .
O10 W2 O7 99.1(5) . .
O9 W2 O7 160.3(4) . .
O10 W2 O2 98.8(6) . .
O9 W2 O2 91.4(5) . .
O7 W2 O2 87.8(5) . .
O10 W2 O20 96.9(6) . .
O9 W2 O20 88.3(5) . .
O7 W2 O20 87.2(5) . .
O2 W2 O20 164.1(5) . .
O10 W2 O6 174.7(5) . .
O9 W2 O6 74.5(4) . .
O7 W2 O6 85.9(4) . .
O2 W2 O6 83.0(5) . .
O20 W2 O6 81.6(4) . .
O14 W3 O15 98.6(5) . .
O14 W3 O21 99.9(6) . .
O15 W3 O21 95.5(5) . .
O14 W3 O11 99.9(5) . .
O15 W3 O11 160.1(5) . .
O21 W3 O11 88.6(5) . .
O14 W3 O3 94.9(6) . .
O15 W3 O3 88.1(5) . .
O21 W3 O3 164.0(5) . .
O11 W3 O3 83.0(4) . .
O14 W3 O12 171.4(5) . .
O15 W3 O12 74.4(4) . .
O21 W3 O12 85.9(5) . .
O11 W3 O12 86.5(4) . .
O3 W3 O12 80.0(4) . .
O16 W4 O4 99.5(6) . .
O16 W4 O13 98.9(5) . .
O4 W4 O13 94.0(5) . .
O16 W4 O15 98.0(5) . .
O4 W4 O15 93.9(5) . .
O13 W4 O15 159.9(4) . .
O16 W4 O22 95.8(5) . .
O4 W4 O22 164.7(5) . .
O13 W4 O22 84.0(5) . .
O15 W4 O22 83.5(5) . .
O16 W4 O12 169.9(5) . .
O4 W4 O12 85.8(5) . .
O13 W4 O12 89.2(4) . .
O15 W4 O12 73.0(4) . .
O22 W4 O12 78.9(4) . .
O17 W5 O5 103.7(5) . .
O17 W5 O11 102.2(5) . .
O5 W5 O11 93.9(5) . .
O17 W5 O23 101.7(5) . .
O5 W5 O23 88.2(5) . .
O11 W5 O23 154.7(4) . .
O17 W5 O24 100.0(5) . .
O5 W5 O24 155.9(5) . .
O11 W5 O24 85.2(5) . .
O23 W5 O24 82.7(5) . .
O17 W5 O35 173.0(5) . .
O5 W5 O35 81.3(4) . .
O11 W5 O35 82.1(4) . .
O23 W5 O35 73.3(4) . .
O24 W5 O35 74.8(4) . .
O18 W6 O7 101.6(5) . .
O18 W6 O13 101.6(6) . .
O7 W6 O13 91.2(5) . .
O18 W6 O25 101.4(6) . .
O7 W6 O25 87.5(5) . .
O13 W6 O25 156.8(5) . .
O18 W6 O26 101.1(6) . .
O7 W6 O26 156.7(5) . .
O13 W6 O26 89.3(5) . .
O25 W6 O26 82.9(5) . .
O18 W6 O36 174.3(5) . .
O7 W6 O36 82.3(4) . .
O13 W6 O36 82.4(4) . .
O25 W6 O36 74.5(4) . .
O26 W6 O36 74.6(4) . .
O28 W7 O19 102.7(6) . .
O28 W7 O23 97.4(6) . .
O19 W7 O23 89.2(5) . .
O28 W7 O27 102.5(6) . .
O19 W7 O27 93.1(5) . .
O23 W7 O27 158.9(5) . .
O28 W7 O33 101.0(6) . .
O19 W7 O33 156.1(5) . .
O23 W7 O33 84.2(5) . .
O27 W7 O33 85.3(5) . .
O28 W7 O35 169.8(5) . .
O19 W7 O35 85.1(4) . .
O23 W7 O35 75.8(4) . .
O27 W7 O35 83.6(4) . .
O33 W7 O35 71.0(4) . .
O29 W8 O34 102.0(6) . .
O29 W8 O27 99.7(6) . .
O34 W8 O27 95.2(5) . .
O29 W8 O25 101.0(6) . .
O34 W8 O25 90.9(6) . .
O27 W8 O25 156.6(5) . .
O29 W8 O20 103.9(5) . .
O34 W8 O20 154.0(5) . .
O27 W8 O20 82.9(5) . .
O25 W8 O20 81.7(5) . .
O29 W8 O36 174.2(5) . .
O34 W8 O36 73.5(5) . .
O27 W8 O36 84.6(4) . .
O25 W8 O36 75.6(4) . .
O20 W8 O36 80.5(4) . .
O31 W9 O33 100.7(6) . .
O31 W9 O30 100.1(6) . .
O33 W9 O30 95.2(5) . .
O31 W9 O24 100.1(6) . .
O33 W9 O24 92.0(5) . .
O30 W9 O24 156.9(5) . .
O31 W9 O21 102.9(6) . .
O33 W9 O21 156.2(5) . .
O30 W9 O21 83.2(5) . .
O24 W9 O21 81.4(5) . .
O31 W9 O35 174.0(6) . .
O33 W9 O35 74.1(4) . .
O30 W9 O35 83.5(4) . .
O24 W9 O35 77.4(4) . .
O21 W9 O35 82.2(4) . .
O32 W10 O22 105.1(6) . .
O32 W10 O26 99.8(6) . .
O22 W10 O26 88.3(5) . .
O32 W10 O30 100.2(6) . .
O22 W10 O30 94.0(5) . .
O26 W10 O30 158.5(5) . .
O32 W10 O34 98.2(6) . .
O22 W10 O34 156.4(5) . .
O26 W10 O34 84.3(5) . .
O30 W10 O34 85.2(5) . .
O32 W10 O36 169.2(5) . .
O22 W10 O36 84.9(4) . .
O26 W10 O36 76.3(4) . .
O30 W10 O36 82.6(4) . .
O34 W10 O36 71.6(5) . .
O48 W11 O41 100.3(5) . .
O48 W11 O45 99.5(5) . .
O41 W11 O45 95.4(5) . .
O48 W11 O49 97.8(5) . .
O41 W11 O49 93.0(5) . .
O45 W11 O49 159.1(4) . .
O48 W11 O59 94.1(5) . .
O41 W11 O59 165.5(4) . .
O45 W11 O59 84.1(4) . .
O49 W11 O59 83.1(5) . .
O48 W11 O46 170.1(5) . .
O41 W11 O46 86.1(4) . .
O45 W11 O46 87.3(4) . .
O49 W11 O46 74.1(4) . .
O59 W11 O46 79.4(4) . .
O50 W12 O49 100.2(6) . .
O50 W12 O47 99.3(6) . .
O49 W12 O47 160.2(4) . .
O50 W12 O42 98.0(6) . .
O49 W12 O42 92.3(5) . .
O47 W12 O42 87.4(5) . .
O50 W12 O60 97.0(5) . .
O49 W12 O60 87.7(5) . .
O47 W12 O60 87.5(5) . .
O42 W12 O60 164.7(4) . .
O50 W12 O46 174.8(5) . .
O49 W12 O46 74.8(4) . .
O47 W12 O46 85.5(4) . .
O42 W12 O46 83.8(4) . .
O60 W12 O46 81.5(4) . .
O54 W13 O61 100.0(6) . .
O54 W13 O55 99.6(6) . .
O61 W13 O55 94.8(5) . .
O54 W13 O51 99.5(5) . .
O61 W13 O51 89.8(5) . .
O55 W13 O51 159.3(5) . .
O54 W13 O43 94.6(5) . .
O61 W13 O43 164.5(5) . .
O55 W13 O43 88.1(5) . .
O51 W13 O43 82.5(4) . .
O54 W13 O52 171.8(6) . .
O61 W13 O52 86.1(5) . .
O55 W13 O52 74.3(4) . .
O51 W13 O52 85.9(4) . .
O43 W13 O52 79.9(4) . .
O56 W14 O44 101.5(6) . .
O56 W14 O55 97.8(6) . .
O44 W14 O55 94.5(5) . .
O56 W14 O53 98.9(6) . .
O44 W14 O53 94.2(5) . .
O55 W14 O53 159.1(5) . .
O56 W14 O62 94.7(5) . .
O44 W14 O62 163.8(5) . .
O55 W14 O62 82.7(5) . .
O53 W14 O62 83.6(5) . .
O56 W14 O52 170.0(5) . .
O44 W14 O52 85.2(5) . .
O55 W14 O52 74.0(4) . .
O53 W14 O52 87.9(4) . .
O62 W14 O52 78.7(4) . .
O57 W15 O51 101.1(5) . .
O57 W15 O45 102.8(5) . .
O51 W15 O45 93.7(5) . .
O57 W15 O63 101.8(5) . .
O51 W15 O63 156.1(4) . .
O45 W15 O63 87.9(5) . .
O57 W15 O64 100.0(5) . .
O51 W15 O64 86.4(5) . .
O45 W15 O64 156.8(4) . .
O63 W15 O64 82.9(5) . .
O57 W15 O75 174.1(5) . .
O51 W15 O75 82.6(4) . .
O45 W15 O75 81.4(4) . .
O63 W15 O75 74.0(4) . .
O64 W15 O75 75.6(4) . .
O58 W16 O47 101.7(6) . .
O58 W16 O53 102.7(6) . .
O47 W16 O53 91.6(5) . .
O58 W16 O66 101.4(6) . .
O47 W16 O66 156.2(5) . .
O53 W16 O66 89.1(5) . .
O58 W16 O65 100.3(6) . .
O47 W16 O65 87.1(5) . .
O53 W16 O65 156.7(5) . .
O66 W16 O65 83.0(5) . .
O58 W16 O76 174.2(5) . .
O47 W16 O76 82.2(4) . .
O53 W16 O76 81.4(4) . .
O66 W16 O76 74.4(4) . .
O65 W16 O76 75.4(4) . .
O68 W17 O59 104.9(5) . .
O68 W17 O63 97.8(6) . .
O59 W17 O63 88.6(5) . .
O68 W17 O67 102.0(6) . .
O59 W17 O67 93.3(5) . .
O63 W17 O67 158.9(5) . .
O68 W17 O73 99.4(6) . .
O59 W17 O73 155.5(5) . .
O63 W17 O73 84.7(5) . .
O67 W17 O73 84.8(5) . .
O68 W17 O75 169.4(5) . .
O59 W17 O75 83.9(4) . .
O63 W17 O75 76.3(4) . .
O67 W17 O75 83.0(5) . .
O73 W17 O75 71.5(5) . .
O69 W18 O74 100.6(6) . .
O69 W18 O67 101.1(6) . .
O74 W18 O67 94.3(6) . .
O69 W18 O65 99.3(6) . .
O74 W18 O65 92.4(6) . .
O67 W18 O65 157.0(5) . .
O69 W18 O60 103.9(6) . .
O74 W18 O60 155.4(5) . .
O67 W18 O60 82.3(5) . .
O65 W18 O60 82.6(5) . .
O69 W18 O76 173.0(5) . .
O74 W18 O76 74.1(5) . .
O67 W18 O76 84.1(5) . .
O65 W18 O76 76.5(5) . .
O60 W18 O76 81.3(4) . .
O71 W19 O73 101.3(6) . .
O71 W19 O70 99.8(6) . .
O73 W19 O70 95.4(5) . .
O71 W19 O64 99.8(6) . .
O73 W19 O64 91.6(5) . .
O70 W19 O64 157.5(5) . .
O71 W19 O61 102.8(6) . .
O73 W19 O61 155.8(5) . .
O70 W19 O61 82.9(5) . .
O64 W19 O61 82.0(5) . .
O71 W19 O75 174.2(5) . .
O73 W19 O75 73.7(4) . .
O70 W19 O75 83.9(4) . .
O64 W19 O75 77.6(4) . .
O61 W19 O75 82.1(4) . .
O72 W20 O62 104.9(6) . .
O72 W20 O70 99.4(6) . .
O62 W20 O70 93.6(5) . .
O72 W20 O66 100.3(6) . .
O62 W20 O66 88.9(5) . .
O70 W20 O66 158.8(5) . .
O72 W20 O74 98.3(6) . .
O62 W20 O74 156.7(5) . .
O70 W20 O74 84.8(5) . .
O66 W20 O74 84.6(5) . .
O72 W20 O76 170.0(5) . .
O62 W20 O76 84.4(4) . .
O70 W20 O76 83.1(4) . .
O66 W20 O76 76.2(4) . .
O74 W20 O76 72.3(5) . .
O2 Pd1 O1 89.6(5) . .
O2 Pd1 O37 169.6(5) . .
O1 Pd1 O37 89.1(5) . .
O2 Pd1 O38 88.4(6) . .
O1 Pd1 O38 171.4(5) . .
O37 Pd1 O38 91.3(6) . .
O2 Pd1 Pd2 115.2(4) . .
O1 Pd1 Pd2 110.2(3) . .
O37 Pd1 Pd2 74.8(4) . .
O38 Pd1 Pd2 78.2(4) . .
O4 Pd2 O39 171.4(5) . .
O4 Pd2 O3 90.5(5) . .
O39 Pd2 O3 85.9(5) . .
O4 Pd2 O40 89.5(6) . .
O39 Pd2 O40 92.2(6) . .
O3 Pd2 O40 167.1(5) . .
O4 Pd2 Pd1 112.8(3) . .
O39 Pd2 Pd1 75.7(4) . .
O3 Pd2 Pd1 118.7(3) . .
O40 Pd2 Pd1 73.0(3) . .
O41 Pd3 O42 90.8(5) . .
O41 Pd3 O78 171.2(5) . .
O42 Pd3 O78 87.0(5) . .
O41 Pd3 O77 88.4(5) . .
O42 Pd3 O77 169.9(5) . .
O78 Pd3 O77 92.2(6) . .
O41 Pd3 Pd4 110.9(3) . .
O42 Pd3 Pd4 115.0(3) . .
O78 Pd3 Pd4 77.7(3) . .
O77 Pd3 Pd4 74.6(3) . .
O44 Pd4 O79 171.0(5) . .
O44 Pd4 O43 91.2(5) . .
O79 Pd4 O43 86.3(5) . .
O44 Pd4 O80 89.0(6) . .
O79 Pd4 O80 91.6(6) . .
O43 Pd4 O80 167.3(5) . .
O44 Pd4 Pd3 112.2(3) . .
O79 Pd4 Pd3 76.5(4) . .
O43 Pd4 Pd3 118.7(3) . .
O80 Pd4 Pd3 72.8(4) . .
O6 Si1 O12 114.7(6) . .
O6 Si1 O36 108.5(6) . .
O12 Si1 O36 108.3(5) . .
O6 Si1 O35 109.3(6) . .
O12 Si1 O35 107.7(5) . .
O36 Si1 O35 108.2(6) . .
O46 Si2 O52 114.0(6) . .
O46 Si2 O76 109.7(6) . .
O52 Si2 O76 107.9(6) . .
O46 Si2 O75 108.8(6) . .
O52 Si2 O75 108.2(6) . .
O76 Si2 O75 108.3(6) . .
W1 O1 Pd1 138.3(6) . .
W2 O2 Pd1 136.3(6) . .
Pd2 O3 W3 133.9(5) . .
W4 O4 Pd2 137.1(7) . .
W5 O5 W1 148.9(6) . .
Si1 O6 W1 129.0(6) . .
Si1 O6 W2 129.3(6) . .
W1 O6 W2 93.8(3) . .
W6 O7 W2 145.6(7) . .
W2 O9 W1 116.1(5) . .
W5 O11 W3 144.6(6) . .
Si1 O12 W4 128.7(6) . .
Si1 O12 W3 127.9(6) . .
W4 O12 W3 95.3(4) . .
W6 O13 W4 146.6(7) . .
W3 O15 W4 116.8(5) . .
W7 O19 W1 142.9(6) . .
W2 O20 W8 141.7(6) . .
W3 O21 W9 141.9(6) . .
W10 O22 W4 143.8(6) . .
W7 O23 W5 119.7(5) . .
W9 O24 W5 117.6(6) . .
W6 O25 W8 120.1(5) . .
W6 O26 W10 118.4(6) . .
W8 O27 W7 158.6(7) . .
W9 O30 W10 160.4(7) . .
W9 O33 W7 119.8(6) . .
W8 O34 W10 120.2(7) . .
Si1 O35 W9 126.5(6) . .
Si1 O35 W7 122.5(5) . .
W9 O35 W7 94.3(4) . .
Si1 O35 W5 123.4(6) . .
W9 O35 W5 90.3(3) . .
W7 O35 W5 90.0(4) . .
Si1 O36 W10 122.8(5) . .
Si1 O36 W8 126.1(6) . .
W10 O36 W8 93.9(4) . .
Si1 O36 W6 124.5(7) . .
W10 O36 W6 89.5(4) . .
W8 O36 W6 89.9(3) . .
C1 O37 Pd1 131.7(12) . .
C2 O38 Pd1 125.8(14) . .
C1 O39 Pd2 131.5(12) . .
C2 O40 Pd2 135.2(13) . .
W11 O41 Pd3 137.7(6) . .
W12 O42 Pd3 134.2(6) . .
Pd4 O43 W13 133.9(5) . .
W14 O44 Pd4 137.1(7) . .
W15 O45 W11 148.2(6) . .
Si2 O46 W11 129.3(6) . .
Si2 O46 W12 128.9(6) . .
W11 O46 W12 93.5(4) . .
W16 O47 W12 146.6(7) . .
W12 O49 W11 116.0(5) . .
W15 O51 W13 143.4(6) . .
Si2 O52 W14 129.3(6) . .
Si2 O52 W13 128.0(6) . .
W14 O52 W13 94.0(4) . .
W16 O53 W14 148.6(7) . .
W13 O55 W14 117.2(5) . .
W17 O59 W11 144.1(5) . .
W12 O60 W18 140.4(6) . .
W13 O61 W19 141.1(6) . .
W20 O62 W14 143.6(6) . .
W17 O63 W15 118.5(5) . .
W19 O64 W15 116.8(5) . .
W18 O65 W16 118.3(6) . .
W16 O66 W20 118.1(5) . .
W18 O67 W17 159.2(8) . .
W20 O70 W19 160.1(7) . .
W19 O73 W17 120.1(6) . .
W18 O74 W20 118.4(7) . .
Si2 O75 W17 122.9(6) . .
Si2 O75 W19 125.9(6) . .
W17 O75 W19 93.9(4) . .
Si2 O75 W15 124.0(7) . .
W17 O75 W15 90.2(4) . .
W19 O75 W15 90.0(4) . .
Si2 O76 W20 123.6(6) . .
Si2 O76 W18 125.1(6) . .
W20 O76 W18 94.3(4) . .
Si2 O76 W16 124.0(6) . .
W20 O76 W16 90.1(4) . .
W18 O76 W16 89.8(4) . .
C6 O77 Pd3 130.1(13) . .
C5 O78 Pd3 125.6(12) . .
C6 O79 Pd4 128.2(12) . .
C5 O80 Pd4 133.2(13) . .
C106 N001 C106 108(3) . 2_556
C106 N001 C101 114.3(14) . .
C106 N001 C101 104.2(14) 2_556 .
C106 N001 C101 104.2(14) . 2_556
C106 N001 C101 114.3(14) 2_556 2_556
C101 N001 C101 112(3) . 2_556
C206 N002 C206 106(3) . 2
C206 N002 C201 102.8(15) . 2
C206 N002 C201 115.0(15) 2 2
C206 N002 C201 115.0(15) . .
C206 N002 C201 102.8(15) 2 .
C201 N002 C201 115(3) 2 .
C306 N003 C306 112(2) . 2_556
C306 N003 C301 107.5(11) . .
C306 N003 C301 110.5(11) 2_556 .
C306 N003 C301 110.5(11) . 2_556
C306 N003 C301 107.5(11) 2_556 2_556
C301 N003 C301 108.5(19) . 2_556
C416 N004 C411 116.6(17) . .
C416 N004 C401 112.2(17) . .
C411 N004 C401 105.6(16) . .
C416 N004 C406 103.2(17) . .
C411 N004 C406 109.1(17) . .
C401 N004 C406 110.2(16) . .
C516 N005 C506 103.0(15) . .
C516 N005 C511 112.7(16) . .
C506 N005 C511 113.3(15) . .
C516 N005 C501 115.1(16) . .
C506 N005 C501 110.9(15) . .
C511 N005 C501 102.3(16) . .
C611 N006 C601 110(3) . .
C611 N006 C616 113(3) . .
C601 N006 C616 104(3) . .
C611 N006 C606 119(3) . .
C601 N006 C606 110(3) . .
C616 N006 C606 100(3) . .
C716 N007 C706 103.2(16) . .
C716 N007 C701 111.1(17) . .
C706 N007 C701 115.7(17) . .
C716 N007 C711 112.3(17) . .
C706 N007 C711 110.5(18) . .
C701 N007 C711 104.4(17) . .
C816 N008 C801 112(3) . .
C816 N008 C806 112(3) . .
C801 N008 C806 110(3) . .
C816 N008 C811 110(3) . .
C801 N008 C811 100(3) . .
C806 N008 C811 112(3) . .
C901 N009 C916 114.3(17) . .
C901 N009 C906 111.7(16) . .
C916 N009 C906 107.4(16) . .
C901 N009 C911 100.5(16) . .
C916 N009 C911 111.9(16) . .
C906 N009 C911 110.9(17) . .
C006 N010 C006 117(2) 2 .
C006 N010 C001 107.1(12) 2 2
C006 N010 C001 105.8(12) . 2
C006 N010 C001 105.8(12) 2 .
C006 N010 C001 107.1(12) . .
C001 N010 C001 114(2) 2 .
O39 C1 O37 125.0(18) . .
O39 C1 C3 116.4(17) . .
O37 C1 C3 118.6(17) . .
O40 C2 O38 127(2) . .
O40 C2 C4 119(2) . .
O38 C2 C4 113.5(19) . .
O80 C5 O78 129.8(19) . .
O80 C5 C7 116.4(18) . .
O78 C5 C7 113.8(18) . .
O77 C6 O79 129.7(19) . .
O77 C6 C8 117.1(18) . .
O79 C6 C8 113.1(17) . .
N010 C001 C002 114.1(15) . .
C003 C002 C001 104.4(16) . .
C004 C003 C002 112.2(16) . .
C003 C004 C005 111.7(18) . .
N010 C006 C007 108(3) . .
N010 C006 C057 113(4) . .
C007 C006 C057 23(4) . .
C057 C007 C008 75(10) . .
C057 C007 C006 79(10) . .
C008 C007 C006 106(4) . .
C058 C008 C057 74(6) . .
C058 C008 C007 98(5) . .
C057 C008 C007 24(4) . .
C058 C008 C009 86(5) . .
C057 C008 C009 111(5) . .
C007 C008 C009 112(4) . .
C060 C009 C010 77(5) . .
C060 C009 C008 116(5) . .
C010 C009 C008 114(4) . .
C060 C009 C059 51(5) . .
C010 C009 C059 35(4) . .
C008 C009 C059 102(5) . .
C060 C009 C058 95(5) . .
C010 C009 C058 73(4) . .
C008 C009 C058 42(3) . .
C059 C009 C058 62(4) . .
C059 C010 C009 87(8) . .
C059 C010 C060 49(7) . .
C009 C010 C060 50(4) . .
C007 C057 C008 81(10) . .
C007 C057 C006 78(10) . .
C008 C057 C006 108(7) . .
C007 C057 C058 130(10) . .
C008 C057 C058 49(5) . .
C006 C057 C058 115(7) . .
C008 C058 C057 57(5) . .
C008 C058 C059 100(6) . .
C057 C058 C059 125(7) . .
C008 C058 C009 51(4) . .
C057 C058 C009 85(5) . .
C059 C058 C009 50(4) . .
C010 C059 C060 98(10) . .
C010 C059 C009 58(6) . .
C060 C059 C009 53(6) . .
C010 C059 C058 88(8) . .
C060 C059 C058 101(8) . .
C009 C059 C058 68(5) . .
C059 C060 C009 77(7) . .
C059 C060 C010 33(5) . .
C009 C060 C010 53(4) . .
C102 C101 N001 111(2) . .
C101 C102 C103 107(3) . .
C104 C103 C154 38(5) . .
C104 C103 C102 112(5) . .
C154 C103 C102 114(4) . .
C154 C104 C103 71(9) . .
C154 C104 C105 61(9) . .
C103 C104 C105 105(9) . .
C155 C105 C154 116(10) . .
C155 C105 C104 118(10) . .
C154 C105 C104 39(6) . .
C104 C154 C105 79(10) . .
C104 C154 C103 71(9) . .
C105 C154 C103 114(8) . .
C104 C154 C155 85(9) . .
C105 C154 C155 23(6) . .
C103 C154 C155 96(5) . .
C105 C155 C154 41(10) . .
N001 C106 C107 116(2) . .
C106 C107 C108 112(3) . .
C106 C107 C158 104(4) . .
C108 C107 C158 24(3) . .
C158 C108 C160 54(10) . .
C158 C108 C107 81(10) . .
C160 C108 C107 127(5) . .
C158 C108 C159 14(10) . .
C160 C108 C159 41(4) . .
C107 C108 C159 91(4) . .
C158 C108 C109 20(10) . .
C160 C108 C109 40(4) . .
C107 C108 C109 101(3) . .
C159 C108 C109 17(3) . .
C159 C109 C160 74(10) . .
C159 C109 C110 131(10) . .
C160 C109 C110 77(5) . .
C159 C109 C158 66(10) . .
C160 C109 C158 58(5) . .
C110 C109 C158 125(6) . .
C159 C109 C108 73(10) . .
C160 C109 C108 52(5) . .
C110 C109 C108 115(5) . .
C158 C109 C108 10(5) . .
C109 C110 C160 49(4) . .
C109 C110 C159 14(4) . .
C160 C110 C159 42(4) . .
C108 C158 C159 158(10) . .
C108 C158 C160 100(10) . .
C159 C158 C160 59(7) . .
C108 C158 C109 150(10) . .
C159 C158 C109 26(5) . .
C160 C158 C109 57(6) . .
C108 C158 C107 74(10) . .
C159 C158 C107 119(8) . .
C160 C158 C107 152(8) . .
C109 C158 C107 135(7) . .
C109 C159 C160 79(10) . .
C109 C159 C158 88(10) . .
C160 C159 C158 62(7) . .
C109 C159 C110 34(10) . .
C160 C159 C110 62(6) . .
C158 C159 C110 103(7) . .
C109 C159 C108 89(10) . .
C160 C159 C108 55(6) . .
C158 C159 C108 8(6) . .
C110 C159 C108 100(5) . .
C159 C160 C109 27(5) . .
C159 C160 C158 59(7) . .
C109 C160 C158 65(7) . .
C159 C160 C108 85(7) . .
C109 C160 C108 89(6) . .
C158 C160 C108 26(5) . .
C159 C160 C110 76(6) . .
C109 C160 C110 54(4) . .
C158 C160 C110 111(7) . .
C108 C160 C110 126(6) . .
N002 C201 C202 112(2) . .
C203 C202 C201 106(3) . .
C202 C203 C204 111(3) . .
C203 C204 C205 110(5) . .
N002 C206 C207 116(3) . .
N002 C206 C257 119(5) . .
C207 C206 C257 20(4) . .
C257 C207 C206 99(10) . .
C257 C207 C208 77(10) . .
C206 C207 C208 112(3) . .
C257 C207 C258 51(10) . .
C206 C207 C258 116(5) . .
C208 C207 C258 26(4) . .
C258 C208 C259 106(10) . .
C258 C208 C257 73(10) . .
C259 C208 C257 138(9) . .
C258 C208 C207 96(10) . .
C259 C208 C207 135(8) . .
C257 C208 C207 23(5) . .
C258 C208 C209 156(10) . .
C259 C208 C209 62(7) . .
C257 C208 C209 131(6) . .
C207 C208 C209 108(3) . .
C258 C208 C260 101(10) . .
C259 C208 C260 28(7) . .
C257 C208 C260 163(7) . .
C207 C208 C260 160(5) . .
C209 C208 C260 58(4) . .
C210 C209 C259 87(6) . .
C210 C209 C208 112(3) . .
C259 C209 C208 41(5) . .
C210 C209 C260 49(4) . .
C259 C209 C260 38(6) . .
C208 C209 C260 69(5) . .
C260 C210 C209 76(6) . .
C260 C210 C259 30(6) . .
C209 C210 C259 47(4) . .
C207 C257 C258 110(10) . .
C207 C257 C208 80(10) . .
C258 C257 C208 30(5) . .
C207 C257 C206 61(10) . .
C258 C257 C206 122(10) . .
C208 C257 C206 103(7) . .
C208 C258 C259 44(9) . .
C208 C258 C257 77(10) . .
C259 C258 C257 109(10) . .
C208 C258 C207 59(9) . .
C259 C258 C207 94(9) . .
C257 C258 C207 19(5) . .
C260 C259 C208 123(10) . .
C260 C259 C209 84(10) . .
C208 C259 C209 77(8) . .
C260 C259 C258 115(10) . .
C208 C259 C258 31(6) . .
C209 C259 C258 105(10) . .
C260 C259 C210 38(8) . .
C208 C259 C210 107(9) . .
C209 C259 C210 47(4) . .
C258 C259 C210 120(9) . .
C259 C260 C210 113(10) . .
C259 C260 C209 58(9) . .
C210 C260 C209 55(5) . .
C259 C260 C208 29(8) . .
C210 C260 C208 103(7) . .
C209 C260 C208 52(4) . .
C302 C301 N003 116.8(14) . .
C301 C302 C303 107.3(14) . .
C304 C303 C302 112.1(16) . .
C304 C303 C354 21(3) . .
C302 C303 C354 103(3) . .
C354 C304 C355 84(10) . .
C354 C304 C303 114(9) . .
C355 C304 C303 130(9) . .
C354 C304 C305 105(9) . .
C355 C304 C305 24(9) . .
C303 C304 C305 108.9(18) . .
C355 C305 C304 23(8) . .
C355 C305 C354 12(8) . .
C304 C305 C354 23(3) . .
C304 C354 C355 50(9) . .
C304 C354 C305 52(7) . .
C355 C354 C305 10(7) . .
C304 C354 C303 45(7) . .
C355 C354 C303 84(10) . .
C305 C354 C303 80(5) . .
C304 C355 C305 133(10) . .
C304 C355 C354 46(9) . .
C305 C355 C354 158(10) . .
C307 C306 N003 110.8(19) . .
C306 C307 C308 109(3) . .
C359 C308 C307 93(6) . .
C359 C308 C309 73(6) . .
C307 C308 C309 114(4) . .
C310 C309 C360 33(6) . .
C310 C309 C308 114(5) . .
C360 C309 C308 116(7) . .
C310 C309 C359 67(5) . .
C360 C309 C359 76(8) . .
C308 C309 C359 47(4) . .
C360 C310 C309 76(10) . .
C360 C310 C359 94(10) . .
C309 C310 C359 71(6) . .
C308 C359 C310 102(8) . .
C308 C359 C309 60(5) . .
C310 C359 C309 42(4) . .
C308 C359 C360 96(8) . .
C310 C359 C360 22(4) . .
C309 C359 C360 41(5) . .
C310 C360 C309 71(10) . .
C310 C360 C359 63(10) . .
C309 C360 C359 64(7) . .
C402 C401 N004 114(2) . .
C401 C402 C403 110(2) . .
C402 C403 C404 112(3) . .
C455 C404 C403 115(6) . .
C455 C404 C405 100(7) . .
C403 C404 C405 112(5) . .
C404 C405 C405 133(10) . 2_556
C407 C406 N004 112.4(19) . .
C406 C407 C408 97(2) . .
C409 C408 C407 109(3) . .
C410 C409 C408 128(7) . .
C410 C409 C460 30(6) . .
C408 C409 C460 98(3) . .
C460 C410 C409 93(10) . .
C410 C460 C409 56(9) . .
C412 C411 N004 113(2) . .
C411 C412 C413 112(2) . .
C414 C413 C412 107(2) . .
C413 C414 C415 104(2) . .
N004 C416 C467 117(4) . .
N004 C416 C417 106(3) . .
C467 C416 C417 22(3) . .
C467 C417 C468 76(10) . .
C467 C417 C416 65(10) . .
C468 C417 C416 108(5) . .
C467 C417 C418 43(10) . .
C468 C417 C418 33(3) . .
C416 C417 C418 87(3) . .
C419 C418 C468 126(10) . .
C419 C418 C469 65(7) . .
C468 C418 C469 68(6) . .
C419 C418 C467 109(9) . .
C468 C418 C467 72(7) . .
C469 C418 C467 118(6) . .
C419 C418 C417 118(8) . .
C468 C418 C417 55(6) . .
C469 C418 C417 108(5) . .
C467 C418 C417 17(4) . .
C418 C419 C469 80(8) . .
C418 C419 C468 30(6) . .
C469 C419 C468 55(4) . .
C418 C419 C420 121(8) . .
C469 C419 C420 53(4) . .
C468 C419 C420 106(5) . .
C418 C419 C467 47(7) . .
C469 C419 C467 99(5) . .
C468 C419 C467 50(4) . .
C420 C419 C467 151(5) . .
C470 C420 C469 72(7) . .
C470 C420 C419 89(7) . .
C469 C420 C419 45(4) . .
C417 C467 C418 120(10) . .
C417 C467 C468 80(10) . .
C418 C467 C468 40(4) . .
C417 C467 C416 94(10) . .
C418 C467 C416 109(6) . .
C468 C467 C416 118(6) . .
C417 C467 C419 132(10) . .
C418 C467 C419 24(3) . .
C468 C467 C419 57(5) . .
C416 C467 C419 122(5) . .
C418 C468 C469 68(6) . .
C418 C468 C467 67(6) . .
C469 C468 C467 115(7) . .
C418 C468 C417 92(7) . .
C469 C468 C417 130(7) . .
C467 C468 C417 24(4) . .
C418 C468 C419 24(5) . .
C469 C468 C419 49(4) . .
C467 C468 C419 74(5) . .
C417 C468 C419 96(5) . .
C419 C469 C418 35(4) . .
C419 C469 C468 76(6) . .
C418 C469 C468 44(4) . .
C419 C469 C420 82(6) . .
C418 C469 C420 111(6) . .
C468 C469 C420 153(7) . .
C419 C469 C470 94(6) . .
C418 C469 C470 104(6) . .
C468 C469 C470 127(7) . .
C420 C469 C470 37(4) . .
C420 C470 C469 71(7) . .
C502 C501 N005 108(2) . .
C501 C502 C503 105(3) . .
C504 C503 C502 115(5) . .
C504 C503 C554 55(5) . .
C502 C503 C554 105(5) . .
C505 C504 C554 82(9) . .
C505 C504 C503 119(9) . .
C554 C504 C503 70(8) . .
C505 C504 C555 38(6) . .
C554 C504 C555 49(7) . .
C503 C504 C555 112(8) . .
C555 C505 C504 92(10) . .
C555 C505 C554 49(8) . .
C504 C505 C554 50(6) . .
C555 C554 C504 81(10) . .
C555 C554 C503 127(10) . .
C504 C554 C503 56(7) . .
C555 C554 C505 38(6) . .
C504 C554 C505 49(6) . .
C503 C554 C505 89(7) . .
C505 C555 C554 93(10) . .
C505 C555 C504 50(8) . .
C554 C555 C504 50(7) . .
N005 C506 C507 111.4(17) . .
C508 C507 C506 105(2) . .
C509 C508 C507 108(2) . .
C508 C509 C510 111(3) . .
N005 C511 C512 108.9(18) . .
C513 C512 C511 108(2) . .
C564 C513 C512 133(5) . .
C564 C513 C514 21(5) . .
C512 C513 C514 113(2) . .
C564 C514 C513 36(8) . .
C564 C514 C565 97(9) . .
C513 C514 C565 133(4) . .
C564 C514 C515 69(8) . .
C513 C514 C515 103(3) . .
C565 C514 C515 31(3) . .
C565 C515 C564 96(7) . .
C565 C515 C514 73(6) . .
C564 C515 C514 25(3) . .
C514 C564 C513 122(10) . .
C514 C564 C515 87(9) . .
C513 C564 C515 146(8) . .
C514 C564 C565 61(8) . .
C513 C564 C565 174(8) . .
C515 C564 C565 28(3) . .
C515 C565 C514 76(6) . .
C515 C565 C564 56(6) . .
C514 C565 C564 22(3) . .
N005 C516 C517 112.6(18) . .
C518 C517 C516 110(4) . .
C518 C517 C568 31(3) . .
C516 C517 C568 96(3) . .
C568 C518 C517 101(8) . .
C568 C518 C569 87(8) . .
C517 C518 C569 125(6) . .
C568 C518 C570 48(6) . .
C517 C518 C570 139(6) . .
C569 C518 C570 45(4) . .
C568 C518 C519 122(9) . .
C517 C518 C519 121(6) . .
C569 C518 C519 37(4) . .
C570 C518 C519 76(5) . .
C569 C519 C518 62(6) . .
C569 C519 C520 54(6) . .
C518 C519 C520 86(5) . .
C569 C519 C570 27(6) . .
C518 C519 C570 51(4) . .
C520 C519 C570 40(3) . .
C570 C520 C569 48(4) . .
C570 C520 C519 74(5) . .
C569 C520 C519 32(3) . .
C518 C568 C570 95(9) . .
C518 C568 C569 58(6) . .
C570 C568 C569 43(5) . .
C518 C568 C517 48(6) . .
C570 C568 C517 134(7) . .
C569 C568 C517 91(5) . .
C519 C569 C570 130(10) . .
C519 C569 C518 81(7) . .
C570 C569 C518 73(6) . .
C519 C569 C520 94(8) . .
C570 C569 C520 56(5) . .
C518 C569 C520 108(6) . .
C519 C569 C568 114(8) . .
C570 C569 C568 43(5) . .
C518 C569 C568 35(4) . .
C520 C569 C568 94(6) . .
C569 C570 C568 93(8) . .
C569 C570 C520 76(7) . .
C568 C570 C520 145(8) . .
C569 C570 C518 62(6) . .
C568 C570 C518 38(5) . .
C520 C570 C518 112(7) . .
C569 C570 C519 23(5) . .
C568 C570 C519 90(6) . .
C520 C570 C519 67(5) . .
C518 C570 C519 53(4) . .
C602 C601 N006 115(4) . .
C601 C602 C603 106(4) . .
C602 C603 C604 110(5) . .
C602 C603 C654 115(9) . .
C604 C603 C654 35(8) . .
C654 C604 C605 160(10) . .
C654 C604 C603 74(10) . .
C605 C604 C603 118(8) . .
C604 C654 C655 116(10) . .
C604 C654 C603 71(10) . .
C655 C654 C603 114(10) . .
C607 C606 N006 104(4) . .
C606 C607 C608 99(4) . .
C607 C608 C609 114(5) . .
C660 C609 C610 75(7) . .
C660 C609 C608 96(5) . .
C610 C609 C608 131(8) . .
C612 C611 N006 115(3) . .
C611 C612 C613 107(4) . .
C612 C613 C614 110(4) . .
C613 C614 C615 102(5) . .
N006 C616 C617 111(4) . .
C616 C617 C618 100(4) . .
C619 C618 C617 87(5) . .
C618 C619 C620 99(6) . .
N007 C701 C702 109.4(18) . .
C701 C702 C703 109(2) . .
C754 C703 C702 132(6) . .
C754 C703 C704 22(5) . .
C702 C703 C704 110(2) . .
C754 C704 C705 60(9) . .
C754 C704 C703 45(9) . .
C705 C704 C703 105(3) . .
C754 C704 C755 48(9) . .
C705 C704 C755 19(3) . .
C703 C704 C755 91(3) . .
C755 C705 C754 95(10) . .
C755 C705 C704 112(9) . .
C754 C705 C704 24(4) . .
C704 C754 C703 113(10) . .
C704 C754 C705 96(10) . .
C703 C754 C705 151(9) . .
C704 C754 C755 114(10) . .
C703 C754 C755 129(8) . .
C705 C754 C755 25(4) . .
C705 C755 C754 60(8) . .
C705 C755 C704 49(8) . .
C754 C755 C704 18(3) . .
N007 C706 C707 110(2) . .
C758 C707 C706 105(4) . .
C758 C707 C708 16(5) . .
C706 C707 C708 100(4) . .
C709 C708 C759 92(10) . .
C709 C708 C707 138(10) . .
C759 C708 C707 114(6) . .
C708 C709 C758 7(10) . .
C708 C709 C710 113(10) . .
C758 C709 C710 107(6) . .
C708 C709 C759 55(8) . .
C758 C709 C759 49(4) . .
C710 C709 C759 63(4) . .
C760 C710 C709 115(7) . .
C760 C710 C759 51(4) . .
C709 C710 C759 66(4) . .
C759 C758 C707 137(8) . .
C759 C758 C709 81(6) . .
C707 C758 C709 117(7) . .
C758 C759 C760 128(7) . .
C758 C759 C708 18(5) . .
C760 C759 C708 117(7) . .
C758 C759 C710 96(5) . .
C760 C759 C710 44(4) . .
C708 C759 C710 80(5) . .
C758 C759 C709 50(4) . .
C760 C759 C709 93(5) . .
C708 C759 C709 33(4) . .
C710 C759 C709 51(4) . .
C710 C760 C759 85(6) . .
C712 C711 N007 114(3) . .
C712 C711 C762 27(3) . .
N007 C711 C762 109(3) . .
C762 C712 C711 83(9) . .
C762 C712 C713 100(10) . .
C711 C712 C713 113(5) . .
C762 C712 C763 66(9) . .
C711 C712 C763 102(4) . .
C713 C712 C763 34(3) . .
C763 C713 C714 97(6) . .
C763 C713 C712 93(6) . .
C714 C713 C712 119(5) . .
C763 C713 C764 64(5) . .
C714 C713 C764 36(3) . .
C712 C713 C764 105(5) . .
C763 C713 C762 70(6) . .
C714 C713 C762 116(5) . .
C712 C713 C762 24(3) . .
C764 C713 C762 90(4) . .
C764 C714 C713 89(6) . .
C764 C714 C715 85(6) . .
C713 C714 C715 112(5) . .
C764 C714 C763 59(5) . .
C713 C714 C763 34(3) . .
C715 C714 C763 93(4) . .
C764 C714 C765 23(5) . .
C713 C714 C765 76(4) . .
C715 C714 C765 74(4) . .
C763 C714 C765 42(3) . .
C714 C715 C764 35(3) . .
C712 C762 C711 70(8) . .
C712 C762 C763 91(10) . .
C711 C762 C763 105(5) . .
C712 C762 C713 57(8) . .
C711 C762 C713 97(4) . .
C763 C762 C713 35(3) . .
C713 C763 C765 121(7) . .
C713 C763 C764 80(6) . .
C765 C763 C764 41(4) . .
C713 C763 C762 76(6) . .
C765 C763 C762 112(6) . .
C764 C763 C762 97(5) . .
C713 C763 C714 49(5) . .
C765 C763 C714 72(4) . .
C764 C763 C714 34(3) . .
C762 C763 C714 99(4) . .
C713 C763 C712 53(5) . .
C765 C763 C712 124(6) . .
C764 C763 C712 96(5) . .
C762 C763 C712 23(3) . .
C714 C763 C712 85(4) . .
C714 C764 C765 135(9) . .
C714 C764 C763 88(6) . .
C765 C764 C763 58(5) . .
C714 C764 C713 54(5) . .
C765 C764 C713 93(6) . .
C763 C764 C713 36(3) . .
C714 C764 C715 60(5) . .
C765 C764 C715 93(6) . .
C763 C764 C715 95(5) . .
C713 C764 C715 88(4) . .
C764 C765 C763 81(6) . .
C764 C765 C714 22(5) . .
C763 C765 C714 66(4) . .
N007 C716 C717 112.4(19) . .
C718 C717 C716 108(2) . .
C719 C718 C717 111(2) . .
C718 C719 C720 111(3) . .
N008 C801 C802 107(3) . .
C803 C802 C801 104(4) . .
C802 C803 C804 120(6) . .
C805 C804 C855 153(10) . .
C805 C804 C895 152(10) . .
C855 C804 C895 36(5) . .
C805 C804 C803 109(9) . .
C855 C804 C803 98(7) . .
C895 C804 C803 74(6) . .
C895 C855 C804 76(10) . .
C855 C895 C804 68(9) . .
C807 C806 N008 113(3) . .
C806 C807 C808 104(3) . .
C809 C808 C807 107(4) . .
C808 C809 C810 123(10) . .
C808 C809 C860 124(6) . .
C810 C809 C860 106(10) . .
N008 C811 C812 106(4) . .
C813 C812 C811 93(4) . .
C812 C813 C814 98(5) . .
C815 C814 C813 110(7) . .
C817 C816 N008 117(3) . .
C816 C817 C818 104(3) . .
C817 C818 C819 114(5) . .
C818 C819 C820 109(7) . .
N009 C901 C902 112.1(19) . .
C901 C902 C903 101(2) . .
C904 C903 C902 108(3) . .
C903 C904 C905 97(4) . .
C903 C904 C955 119(6) . .
C905 C904 C955 26(5) . .
C955 C905 C904 85(10) . .
C905 C955 C904 69(10) . .
C907 C906 N009 114.8(18) . .
C906 C907 C908 113(2) . .
C907 C908 C909 106(2) . .
C908 C909 C910 104(2) . .
C912 C911 N009 110(2) . .
C911 C912 C913 111(3) . .
C911 C912 C963 84(5) . .
C913 C912 C963 37(4) . .
C963 C913 C914 37(7) . .
C963 C913 C964 90(10) . .
C914 C913 C964 58(6) . .
C963 C913 C912 85(8) . .
C914 C913 C912 92(6) . .
C964 C913 C912 128(7) . .
C963 C914 C913 65(10) . .
C963 C914 C964 123(10) . .
C913 C914 C964 68(7) . .
C963 C914 C915 129(10) . .
C913 C914 C915 103(6) . .
C964 C914 C915 40(6) . .
C965 C915 C964 80(9) . .
C965 C915 C914 103(8) . .
C964 C915 C914 38(6) . .
C914 C963 C913 78(10) . .
C914 C963 C964 36(10) . .
C913 C963 C964 51(7) . .
C914 C963 C912 92(10) . .
C913 C963 C912 58(7) . .
C964 C963 C912 94(8) . .
C914 C964 C915 102(10) . .
C914 C964 C913 54(7) . .
C915 C964 C913 143(10) . .
C914 C964 C965 122(10) . .
C915 C964 C965 43(6) . .
C913 C964 C965 122(10) . .
C914 C964 C963 21(6) . .
C915 C964 C963 109(10) . .
C913 C964 C963 39(5) . .
C965 C964 C963 114(9) . .
C915 C965 C964 57(8) . .
C917 C916 N009 113(2) . .
C916 C917 C918 107(3) . .
C917 C918 C919 107(3) . .
C920 C919 C918 112(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O8 1.724(12) .
W1 O1 1.771(12) .
W1 O9 1.932(11) .
W1 O5 1.938(10) .
W1 O19 2.075(13) .
W1 O6 2.217(10) .
W2 O10 1.717(11) .
W2 O9 1.894(11) .
W2 O7 1.938(11) .
W2 O2 1.941(13) .
W2 O20 2.016(14) .
W2 O6 2.227(9) .
W3 O14 1.708(11) .
W3 O15 1.874(11) .
W3 O21 1.896(12) .
W3 O11 1.931(10) .
W3 O3 2.071(11) .
W3 O12 2.203(10) .
W4 O16 1.725(11) .
W4 O4 1.776(13) .
W4 O13 1.930(11) .
W4 O15 1.949(12) .
W4 O22 2.091(12) .
W4 O12 2.202(10) .
W5 O17 1.693(12) .
W5 O5 1.880(11) .
W5 O11 1.882(11) .
W5 O23 1.936(12) .
W5 O24 1.954(11) .
W5 O35 2.371(10) .
W6 O18 1.711(12) .
W6 O7 1.871(11) .
W6 O13 1.905(11) .
W6 O25 1.908(14) .
W6 O26 1.911(13) .
W6 O36 2.366(11) .
W7 O28 1.718(13) .
W7 O19 1.837(12) .
W7 O23 1.888(11) .
W7 O27 1.922(12) .
W7 O33 2.032(10) .
W7 O35 2.304(11) .
W8 O29 1.721(11) .
W8 O34 1.875(13) .
W8 O27 1.895(12) .
W8 O25 1.910(13) .
W8 O20 2.047(12) .
W8 O36 2.318(10) .
W9 O31 1.716(12) .
W9 O33 1.862(12) .
W9 O30 1.882(12) .
W9 O24 1.912(11) .
W9 O21 2.036(12) .
W9 O35 2.293(11) .
W10 O32 1.714(12) .
W10 O22 1.820(11) .
W10 O26 1.912(12) .
W10 O30 1.924(13) .
W10 O34 2.016(13) .
W10 O36 2.299(11) .
W11 O48 1.741(11) .
W11 O41 1.814(11) .
W11 O45 1.941(10) .
W11 O49 1.945(10) .
W11 O59 2.056(13) .
W11 O46 2.219(10) .
W12 O50 1.713(11) .
W12 O49 1.882(10) .
W12 O47 1.922(11) .
W12 O42 1.948(12) .
W12 O60 2.040(14) .
W12 O46 2.237(10) .
W13 O54 1.714(12) .
W13 O61 1.866(13) .
W13 O55 1.895(11) .
W13 O51 1.954(10) .
W13 O43 2.070(11) .
W13 O52 2.232(10) .
W14 O56 1.712(11) .
W14 O44 1.801(13) .
W14 O55 1.922(11) .
W14 O53 1.927(11) .
W14 O62 2.070(13) .
W14 O52 2.222(11) .
W15 O57 1.710(11) .
W15 O51 1.870(10) .
W15 O45 1.883(9) .
W15 O63 1.942(12) .
W15 O64 1.959(11) .
W15 O75 2.364(11) .
W16 O58 1.719(13) .
W16 O47 1.877(12) .
W16 O53 1.888(11) .
W16 O66 1.909(12) .
W16 O65 1.930(13) .
W16 O76 2.364(12) .
W17 O68 1.751(13) .
W17 O59 1.841(11) .
W17 O63 1.901(11) .
W17 O67 1.923(13) .
W17 O73 2.017(11) .
W17 O75 2.300(11) .
W18 O69 1.702(12) .
W18 O74 1.880(14) .
W18 O67 1.889(13) .
W18 O65 1.924(13) .
W18 O60 2.044(13) .
W18 O76 2.322(10) .
W19 O71 1.703(12) .
W19 O73 1.872(12) .
W19 O70 1.907(12) .
W19 O64 1.920(11) .
W19 O61 2.072(13) .
W19 O75 2.310(12) .
W20 O72 1.717(14) .
W20 O62 1.843(13) .
W20 O70 1.901(12) .
W20 O66 1.923(12) .
W20 O74 2.045(14) .
W20 O76 2.278(11) .
Pd1 O2 1.984(12) .
Pd1 O1 1.987(11) .
Pd1 O37 2.011(13) .
Pd1 O38 2.027(15) .
Pd1 Pd2 3.2430(17) .
Pd2 O4 1.984(12) .
Pd2 O39 1.991(13) .
Pd2 O3 2.002(10) .
Pd2 O40 2.002(14) .
Pd3 O41 1.955(11) .
Pd3 O42 2.006(11) .
Pd3 O78 2.007(13) .
Pd3 O77 2.011(13) .
Pd3 Pd4 3.2431(17) .
Pd4 O44 1.960(12) .
Pd4 O79 1.980(12) .
Pd4 O43 2.003(11) .
Pd4 O80 2.005(15) .
Si1 O6 1.587(11) .
Si1 O12 1.624(12) .
Si1 O36 1.628(11) .
Si1 O35 1.643(12) .
Si2 O46 1.578(11) .
Si2 O52 1.592(12) .
Si2 O76 1.639(12) .
Si2 O75 1.640(12) .
O37 C1 1.27(2) .
O38 C2 1.27(2) .
O39 C1 1.26(2) .
O40 C2 1.24(2) .
O77 C6 1.22(2) .
O78 C5 1.23(2) .
O79 C6 1.27(2) .
O80 C5 1.23(2) .
N001 C106 1.51(3) .
N001 C106 1.51(3) 2_556
N001 C101 1.55(3) .
N001 C101 1.55(3) 2_556
N002 C206 1.48(3) .
N002 C206 1.48(3) 2
N002 C201 1.52(3) 2
N002 C201 1.52(3) .
N003 C306 1.53(3) .
N003 C306 1.53(3) 2_556
N003 C301 1.54(2) .
N003 C301 1.54(2) 2_556
N004 C416 1.50(3) .
N004 C411 1.53(3) .
N004 C401 1.54(3) .
N004 C406 1.57(3) .
N005 C516 1.51(3) .
N005 C506 1.52(2) .
N005 C511 1.55(3) .
N005 C501 1.56(3) .
N006 C611 1.52(4) .
N006 C601 1.59(5) .
N006 C616 1.59(5) .
N006 C606 1.64(5) .
N007 C716 1.50(3) .
N007 C706 1.53(3) .
N007 C701 1.54(3) .
N007 C711 1.56(3) .
N008 C816 1.54(4) .
N008 C801 1.55(5) .
N008 C806 1.58(4) .
N008 C811 1.65(5) .
N009 C901 1.53(3) .
N009 C916 1.54(3) .
N009 C906 1.57(3) .
N009 C911 1.59(3) .
N010 C006 1.53(3) 2
N010 C006 1.53(3) .
N010 C001 1.54(2) 2
N010 C001 1.54(2) .
C1 C3 1.52(3) .
C2 C4 1.50(3) .
C5 C7 1.57(3) .
C6 C8 1.56(3) .
C001 C002 1.58(3) .
C002 C003 1.56(3) .
C003 C004 1.50(3) .
C004 C005 1.53(3) .
C006 C007 1.58(6) .
C006 C057 1.58(11) .
C007 C057 0.63(10) .
C007 C008 1.56(7) .
C008 C058 1.37(10) .
C008 C057 1.53(12) .
C008 C009 1.59(6) .
C009 C060 1.36(10) .
C009 C010 1.42(6) .
C009 C059 1.67(11) .
C009 C058 2.03(10) .
C010 C059 0.95(10) .
C010 C060 1.73(11) .
C057 C058 1.76(14) .
C058 C059 1.92(13) .
C059 C060 1.32(12) .
C101 C102 1.53(4) .
C102 C103 1.64(5) .
C103 C104 1.58(13) .
C103 C154 1.58(8) .
C104 C154 1.03(12) .
C104 C105 1.60(16) .
C105 C155 0.86(13) .
C105 C154 1.43(14) .
C154 C155 1.96(11) .
C106 C107 1.60(4) .
C107 C108 1.60(6) .
C107 C158 1.64(10) .
C108 C158 0.69(9) .
C108 C160 1.55(10) .
C108 C159 1.90(11) .
C108 C109 1.98(9) .
C109 C159 0.59(10) .
C109 C160 1.27(9) .
C109 C110 1.35(7) .
C109 C158 1.36(11) .
C110 C160 1.63(9) .
C110 C159 1.80(10) .
C158 C159 1.25(12) .
C158 C160 1.27(11) .
C159 C160 1.24(12) .
C201 C202 1.59(4) .
C202 C203 1.55(4) .
C203 C204 1.63(6) .
C204 C205 1.68(8) .
C206 C207 1.54(5) .
C206 C257 1.74(14) .
C207 C257 0.61(12) .
C207 C208 1.54(6) .
C207 C258 1.80(13) .
C208 C258 0.79(12) .
C208 C259 1.07(12) .
C208 C257 1.53(14) .
C208 C209 1.58(6) .
C208 C260 1.87(13) .
C209 C210 1.43(5) .
C209 C259 1.44(12) .
C209 C260 1.69(12) .
C210 C260 1.31(12) .
C210 C259 1.97(13) .
C257 C258 1.50(17) .
C258 C259 1.50(17) .
C259 C260 1.05(14) .
C301 C302 1.49(3) .
C302 C303 1.58(2) .
C303 C304 1.54(3) .
C303 C354 1.99(12) .
C304 C354 0.80(12) .
C304 C355 0.84(12) .
C304 C305 1.58(3) .
C305 C355 0.88(12) .
C305 C354 1.95(12) .
C354 C355 1.10(16) .
C306 C307 1.51(3) .
C307 C308 1.58(5) .
C308 C359 1.42(12) .
C308 C309 1.66(7) .
C309 C310 1.31(8) .
C309 C360 1.35(14) .
C309 C359 1.84(13) .
C310 C360 0.76(14) .
C310 C359 1.79(13) .
C359 C360 1.99(18) .
C401 C402 1.49(4) .
C402 C403 1.56(4) .
C403 C404 1.66(5) .
C404 C455 1.52(11) .
C404 C405 1.70(12) .
C405 C405 1.9(2) 2_556
C406 C407 1.52(3) .
C407 C408 1.64(4) .
C408 C409 1.49(5) .
C409 C410 1.42(12) .
C409 C460 1.71(6) .
C410 C460 0.86(13) .
C411 C412 1.51(3) .
C412 C413 1.56(4) .
C413 C414 1.56(4) .
C414 C415 1.67(4) .
C416 C467 1.64(9) .
C416 C417 1.81(7) .
C417 C467 0.67(9) .
C417 C468 1.62(10) .
C417 C418 1.97(10) .
C418 C419 0.86(8) .
C418 C468 1.09(8) .
C418 C469 1.46(10) .
C418 C467 1.55(10) .
C419 C469 1.35(9) .
C419 C468 1.74(10) .
C419 C420 1.88(8) .
C419 C467 2.00(10) .
C420 C470 0.97(8) .
C420 C469 1.50(9) .
C467 C468 1.59(11) .
C468 C469 1.47(10) .
C469 C470 1.51(10) .
C501 C502 1.55(5) .
C502 C503 1.60(5) .
C503 C504 1.57(11) .
C503 C554 1.79(14) .
C504 C505 1.52(14) .
C504 C554 1.55(15) .
C504 C555 1.99(18) .
C505 C555 1.23(14) .
C505 C554 2.01(17) .
C554 C555 1.52(16) .
C506 C507 1.57(3) .
C507 C508 1.54(3) .
C508 C509 1.53(4) .
C509 C510 1.61(5) .
C511 C512 1.56(3) .
C512 C513 1.55(4) .
C513 C564 1.15(9) .
C513 C514 1.65(4) .
C514 C564 0.71(9) .
C514 C565 1.68(9) .
C514 C515 1.69(4) .
C515 C565 0.90(8) .
C515 C564 1.58(9) .
C564 C565 1.90(13) .
C516 C517 1.59(3) .
C517 C518 1.38(7) .
C517 C568 1.81(8) .
C518 C568 0.95(8) .
C518 C569 1.42(9) .
C518 C570 1.54(10) .
C518 C519 1.58(9) .
C519 C569 0.97(8) .
C519 C520 1.83(9) .
C519 C570 1.91(10) .
C520 C570 1.27(8) .
C520 C569 1.48(9) .
C568 C570 1.14(9) .
C568 C569 1.66(10) .
C569 C570 1.14(9) .
C601 C602 1.49(5) .
C602 C603 1.56(6) .
C603 C604 1.75(10) .
C603 C654 1.8(3) .
C604 C654 1.1(3) .
C604 C605 1.29(12) .
C654 C655 1.3(3) .
C606 C607 1.59(6) .
C607 C608 1.71(8) .
C608 C609 1.88(9) .
C609 C660 1.54(8) .
C609 C610 1.84(19) .
C611 C612 1.45(5) .
C612 C613 1.54(5) .
C613 C614 1.65(6) .
C614 C615 1.82(10) .
C616 C617 1.60(6) .
C617 C618 1.72(7) .
C618 C619 1.60(10) .
C619 C620 1.82(10) .
C701 C702 1.56(3) .
C702 C703 1.57(4) .
C703 C754 1.25(9) .
C703 C704 1.62(5) .
C704 C754 0.66(9) .
C704 C705 1.61(5) .
C704 C755 1.97(10) .
C705 C755 0.68(9) .
C705 C754 1.40(9) .
C754 C755 1.61(12) .
C706 C707 1.59(4) .
C707 C758 1.42(10) .
C707 C708 1.60(11) .
C708 C709 1.00(10) .
C708 C759 1.53(12) .
C709 C758 1.44(10) .
C709 C710 1.57(9) .
C709 C759 1.85(10) .
C710 C760 1.26(8) .
C710 C759 1.81(9) .
C758 C759 1.41(11) .
C759 C760 1.41(8) .
C711 C712 1.51(6) .
C711 C762 1.59(7) .
C712 C762 0.73(8) .
C712 C713 1.51(8) .
C712 C763 1.88(9) .
C713 C763 1.04(7) .
C713 C714 1.42(7) .
C713 C764 1.75(9) .
C713 C762 1.78(9) .
C714 C764 1.03(8) .
C714 C715 1.55(7) .
C714 C763 1.86(9) .
C714 C765 1.94(9) .
C715 C764 1.79(9) .
C762 C763 1.72(9) .
C763 C765 1.36(8) .
C763 C764 1.59(9) .
C764 C765 1.06(8) .
C716 C717 1.59(3) .
C717 C718 1.59(4) .
C718 C719 1.49(4) .
C719 C720 1.57(4) .
C801 C802 1.59(5) .
C802 C803 1.56(7) .
C803 C804 1.93(10) .
C804 C805 1.48(16) .
C804 C855 1.63(13) .
C804 C895 1.70(13) .
C855 C895 1.04(13) .
C806 C807 1.52(5) .
C807 C808 1.54(5) .
C808 C809 1.52(7) .
C809 C810 1.7(3) .
C809 C860 1.82(11) .
C811 C812 1.70(6) .
C812 C813 1.69(7) .
C813 C814 1.79(9) .
C814 C815 1.66(10) .
C816 C817 1.44(5) .
C817 C818 1.55(5) .
C818 C819 1.58(9) .
C819 C820 1.70(11) .
C901 C902 1.59(4) .
C902 C903 1.65(4) .
C903 C904 1.51(5) .
C904 C905 1.61(6) .
C904 C955 1.73(14) .
C905 C955 0.77(15) .
C906 C907 1.50(3) .
C907 C908 1.57(4) .
C908 C909 1.60(4) .
C909 C910 1.66(4) .
C911 C912 1.55(4) .
C912 C913 1.59(7) .
C912 C963 1.87(13) .
C913 C963 1.14(14) .
C913 C914 1.23(9) .
C913 C964 1.41(13) .
C914 C963 0.76(13) .
C914 C964 1.28(12) .
C914 C915 2.03(9) .
C915 C965 1.07(12) .
C915 C964 1.33(12) .
C963 C964 1.82(19) .
C964 C965 1.56(16) .
C916 C917 1.50(3) .
C917 C918 1.52(4) .
C918 C919 1.69(6) .
C919 C920 1.62(14) .
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
_platon_squeeze_void_content
1 0.250 0.001 0.000 9 -1 ' '
2 0.750 -0.001 0.000 10 -1 ' '
3 0.253 0.122 0.000 1076 94 ' '
4 0.250 0.211 0.000 7 0 ' '
5 0.246 0.878 0.000 1076 85 ' '
6 0.750 0.789 0.000 7 1 ' '
7 0.611 0.444 0.089 18 1 ' '
8 0.111 0.556 0.089 18 1 ' '
9 0.505 0.386 0.375 503 55 ' '
10 1.005 0.614 0.376 503 55 ' '
11 0.112 0.059 0.411 18 -2 ' '
12 0.833 0.066 0.399 8 1 ' '
13 0.333 0.934 0.399 8 1 ' '
14 0.612 0.941 0.411 18 0 ' '
15 0.750 0.478 0.500 18 -1 ' '
16 0.250 0.522 0.500 18 -2 ' '
17 0.250 0.420 0.500 17 -1 ' '
18 0.750 0.580 0.500 17 -4 ' '
19 -0.005 0.386 0.624 503 54 ' '
20 0.495 0.614 0.624 503 53 ' '
21 0.388 0.059 0.589 18 -1 ' '
22 0.888 0.941 0.589 18 1 ' '
23 0.667 0.066 0.601 8 2 ' '
24 0.167 0.934 0.601 8 1 ' '
25 0.889 0.444 0.911 18 0 ' '
26 0.389 0.556 0.911 18 -1 ' '
