#------------------------------------------------------------------------------
#$Date: 2017-01-09 05:54:10 +0100 (lun 09 de ene de 2017) $
#$Revision: 190240 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/58/7055816.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_7055816
loop_
_publ_author_name
'Udalova, Liubov I.'
'Adonin, Sergey A.'
'Abramov, Pavel A.'
'Korolkov, Ilya V.'
'Yunoshev, Alexander S.'
'Plyusnin, Pavel E.'
'Sokolov, Maxim N.'
_publ_section_title
;
 Complexes of non-lacunary Keggin- and Dawson-type polyoxometalates with
 Pb(ii): formation of 1D coordination polymers with different bonding
 modes
;
_journal_issue                   12
_journal_name_full               'New J. Chem.'
_journal_page_first              9981
_journal_paper_doi               10.1039/C6NJ02155G
_journal_volume                  40
_journal_year                    2016
_chemical_formula_structural     Pb2[SiW12O40]*11HOCN(CH3)2
_chemical_formula_sum            'C33 H77 N11 O51 Pb2 Si W12'
_chemical_formula_weight         4092.72
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-06-20 deposited with the CCDC.
2016-10-10 downloaded from the CCDC.
;
_cell_angle_alpha                94.2851(11)
_cell_angle_beta                 103.2466(10)
_cell_angle_gamma                102.5634(12)
_cell_formula_units_Z            2
_cell_length_a                   13.0771(7)
_cell_length_b                   14.1413(7)
_cell_length_c                   22.4997(9)
_cell_measurement_reflns_used    6010
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      2.42
_cell_volume                     3919.0(3)
_computing_cell_refinement       'SAINT (Bruker-AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker-AXS, 2004)'
_computing_data_reduction        'SAINT (Bruker-AXS, 2004)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker Apex Duo'
_diffrn_measurement_method       'φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_unetI/netI     0.0788
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            28291
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.782
_diffrn_reflns_theta_min         1.488
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    21.925
_exptl_absorpt_correction_T_max  0.353
_exptl_absorpt_correction_T_min  0.178
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS, 2004)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.468
_exptl_crystal_description       block
_exptl_crystal_F_000             3652
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         4.019
_refine_diff_density_min         -2.492
_refine_diff_density_rms         0.354
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     986
_refine_ls_number_reflns         17949
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0207P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0861
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13173
_reflns_number_total             17949
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c6nj02155g2.cif
_cod_data_source_block           lu
_cod_depositor_comments
'Adding full bibliography for 7055816--7055817.cif.'
_cod_database_code               7055816
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.178
_shelx_estimated_absorpt_t_max   0.353
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Pb2 Pb 0.36143(4) 0.85415(3) 0.29902(2) 0.01943(10) Uani 1 1 d . .
Pb1 Pb 0.06366(4) 0.82855(4) 0.17945(2) 0.02017(11) Uani 1 1 d . .
W1 W 0.81802(4) 0.19533(3) 0.34665(2) 0.01440(10) Uani 1 1 d . .
W2 W 0.66372(4) 0.57262(3) 0.32322(2) 0.01446(10) Uani 1 1 d . .
W3 W 0.51554(4) 0.35750(3) 0.34308(2) 0.01360(10) Uani 1 1 d . .
W4 W 0.74185(4) 0.13305(4) 0.19244(2) 0.01819(11) Uani 1 1 d . .
W5 W 0.98432(4) 0.43025(3) 0.32534(2) 0.01457(10) Uani 1 1 d . .
W6 W 0.58190(4) 0.50603(4) 0.15447(2) 0.01604(11) Uani 1 1 d . .
W7 W 0.78152(4) 0.42777(3) 0.41492(2) 0.01464(10) Uani 1 1 d . .
W8 W 0.55377(4) 0.12860(3) 0.27202(2) 0.01390(10) Uani 1 1 d . .
W9 W 0.61431(4) 0.29352(4) 0.09241(2) 0.01790(11) Uani 1 1 d . .
W10 W 0.42876(4) 0.29163(4) 0.17396(2) 0.01398(10) Uani 1 1 d . .
W11 W 0.90521(4) 0.37084(4) 0.17073(2) 0.01808(11) Uani 1 1 d . .
W12 W 0.87172(4) 0.58092(3) 0.23587(2) 0.01575(10) Uani 1 1 d . .
Si1 Si 0.7045(2) 0.3572(2) 0.25347(12) 0.0091(6) Uiso 1 1 d . .
O40 O 0.8551(6) 0.2390(6) 0.1868(3) 0.0202(18) Uani 1 1 d . .
O39 O 0.5392(6) 0.4972(5) 0.3441(3) 0.0164(17) Uani 1 1 d . .
O38 O 0.8407(7) 0.4509(6) 0.4921(3) 0.026(2) Uani 1 1 d . .
O37 O 0.5369(6) 0.2312(6) 0.3268(3) 0.0168(18) Uani 1 1 d . .
O36 O 0.5900(6) 0.5460(6) 0.2387(3) 0.0163(18) Uani 1 1 d . .
O35 O 0.4561(6) 0.0331(6) 0.2818(3) 0.0214(19) Uani 1 1 d . .
O34 O 0.7049(6) 0.2434(5) 0.2630(3) 0.0148(17) Uani 1 1 d . .
O33 O 0.9848(6) 0.5569(6) 0.2985(3) 0.0194(18) Uani 1 1 d . .
O32 O 0.7857(6) 0.2943(5) 0.3952(3) 0.0155(17) Uani 1 1 d . .
O31 O 0.4476(6) 0.3435(6) 0.2570(3) 0.0165(18) Uani 1 1 d . .
O30 O 0.6139(6) 0.0667(6) 0.2155(3) 0.0184(18) Uani 1 1 d . .
O29 O 0.7358(6) 0.5540(6) 0.1768(3) 0.0188(18) Uani 1 1 d . .
O28 O 0.7935(6) 0.6010(6) 0.2952(3) 0.0175(18) Uani 1 1 d . .
O27 O 0.7653(7) 0.0388(6) 0.1498(3) 0.025(2) Uani 1 1 d . .
O26 O 0.6510(6) 0.1872(6) 0.1325(3) 0.024(2) Uani 1 1 d . .
O25 O 0.9291(6) 0.2969(6) 0.3327(3) 0.0189(18) Uani 1 1 d . .
O24 O 0.7662(6) 0.3530(6) 0.1168(3) 0.0201(19) Uani 1 1 d . .
O23 O 0.6516(7) 0.6865(6) 0.3443(3) 0.022(2) Uani 1 1 d . .
O22 O 0.8235(6) 0.1213(6) 0.2717(3) 0.0184(18) Uani 1 1 d . .
O21 O 0.9020(6) 0.4599(6) 0.3802(3) 0.0170(18) Uani 1 1 d . .
O20 O 0.8231(6) 0.4153(5) 0.2477(3) 0.0150(17) Uani 1 1 d . .
O19 O 0.6312(6) 0.3822(6) 0.4168(3) 0.0167(18) Uani 1 1 d . .
O18 O 1.0098(6) 0.3917(6) 0.2475(3) 0.0198(19) Uani 1 1 d . .
O17 O 0.6768(6) 0.4106(5) 0.3134(3) 0.0141(17) Uani 1 1 d . .
O16 O 0.4743(6) 0.1820(6) 0.2090(3) 0.0188(19) Uani 1 1 d . .
O15 O 0.8897(7) 0.1423(6) 0.4012(3) 0.026(2) Uani 1 1 d . .
O14 O 0.9810(7) 0.3551(7) 0.1211(3) 0.030(2) Uani 1 1 d . .
O13 O 0.7520(6) 0.5525(6) 0.4010(3) 0.0192(18) Uani 1 1 d . .
O12 O 0.4681(6) 0.2529(5) 0.1006(3) 0.0171(18) Uani 1 1 d . .
O11 O 0.6146(6) 0.3602(6) 0.1918(3) 0.0178(18) Uani 1 1 d . .
O10 O 1.1117(6) 0.4554(6) 0.3705(3) 0.0235(19) Uani 1 1 d . .
O9 O 0.2925(6) 0.2471(6) 0.1507(3) 0.024(2) Uani 1 1 d . .
O8 O 0.4421(6) 0.4190(6) 0.1503(3) 0.0185(18) Uani 1 1 d . .
O7 O 0.5405(7) 0.5979(6) 0.1198(3) 0.026(2) Uani 1 1 d . .
O6 O 0.4063(6) 0.3324(6) 0.3728(3) 0.0200(19) Uani 1 1 d . .
O5 O 0.9296(7) 0.6983(6) 0.2267(4) 0.029(2) Uani 1 1 d . .
O4 O 0.6743(6) 0.1161(6) 0.3359(3) 0.0202(19) Uani 1 1 d . .
O3 O 0.5947(7) 0.2511(7) 0.0164(3) 0.030(2) Uani 1 1 d . .
O7D O 0.3711(6) 0.7145(6) 0.3517(3) 0.0202(18) Uani 1 1 d . .
O2 O 0.5887(6) 0.4217(6) 0.0860(3) 0.0195(19) Uani 1 1 d . .
O6D O 0.0677(7) 0.9686(7) 0.1147(4) 0.029(2) Uani 1 1 d . .
O5D O -0.1206(7) 0.8082(7) 0.1175(4) 0.032(2) Uani 1 1 d . .
O4D O 0.4859(7) 0.9251(6) 0.3988(3) 0.027(2) Uani 1 1 d . .
O1 O 0.9229(6) 0.5093(6) 0.1763(3) 0.0221(19) Uani 1 1 d . .
O3D O 0.1965(7) 0.7090(6) 0.2331(4) 0.026(2) Uani 1 1 d . .
O2D O 0.5294(7) 0.8326(7) 0.2731(4) 0.033(2) Uani 1 1 d . .
O1D O 0.2709(7) 0.8867(7) 0.1720(4) 0.028(2) Uani 1 1 d . .
O8D O 0.0380(8) 0.9619(7) 0.2516(4) 0.041(3) Uani 1 1 d . .
O10D O 0.0548(9) 0.7068(9) 0.0904(4) 0.053(3) Uani 1 1 d . .
O9D O 0.2158(9) 0.8620(9) 0.3575(6) 0.063(3) Uani 1 1 d . .
N7 N 0.4498(7) 0.6365(7) 0.4266(4) 0.014(2) Uani 1 1 d . .
N4 N 0.5406(8) 1.0817(7) 0.4464(4) 0.021(2) Uani 1 1 d . .
N8 N 0.1319(8) 1.1192(7) 0.2561(4) 0.017(2) Uani 1 1 d . .
N3 N 0.2650(8) 0.5754(7) 0.2233(4) 0.022(2) Uani 1 1 d . .
N1 N 0.3801(8) 0.9401(8) 0.1106(4) 0.026(3) Uani 1 1 d . .
N5 N -0.2753(8) 0.7181(8) 0.0507(4) 0.024(2) Uani 1 1 d . .
N6 N -0.0104(9) 1.0809(8) 0.0647(4) 0.028(3) Uani 1 1 d . .
C3 C 0.1964(9) 0.6237(9) 0.2392(5) 0.020(3) Uani 1 1 d . .
H3A H 0.1426 0.5888 0.2568 0.024 Uiso 1 1 calc R U
C71 C 0.3510(9) 0.5609(9) 0.4198(5) 0.024(3) Uani 1 1 d . .
H71A H 0.3638 0.5159 0.4503 0.036 Uiso 1 1 calc R U
H71B H 0.2931 0.5911 0.4263 0.036 Uiso 1 1 calc R U
H71C H 0.3297 0.5246 0.3783 0.036 Uiso 1 1 calc R U
C4 C 0.5562(10) 0.9965(9) 0.4270(5) 0.022(3) Uani 1 1 d . .
H4A H 0.6288 0.9901 0.4358 0.026 Uiso 1 1 calc R U
C5 C -0.1784(9) 0.7289(10) 0.0877(5) 0.025(3) Uani 1 1 d . .
H5A H -0.1504 0.6724 0.0920 0.030 Uiso 1 1 calc R U
C81 C 0.2357(10) 1.0957(9) 0.2613(6) 0.030(3) Uani 1 1 d . .
H81A H 0.2914 1.1557 0.2636 0.045 Uiso 1 1 calc R U
H81B H 0.2541 1.0649 0.2986 0.045 Uiso 1 1 calc R U
H81C H 0.2318 1.0505 0.2252 0.045 Uiso 1 1 calc R U
C7 C 0.4527(9) 0.7061(9) 0.3904(5) 0.018(3) Uani 1 1 d . .
H7A H 0.5197 0.7516 0.3940 0.021 Uiso 1 1 calc R U
C11 C 0.4512(10) 0.8735(9) 0.1271(5) 0.024(3) Uani 1 1 d . .
H11A H 0.5066 0.8830 0.1038 0.036 Uiso 1 1 calc R U
H11B H 0.4863 0.8872 0.1713 0.036 Uiso 1 1 calc R U
H11C H 0.4081 0.8057 0.1173 0.036 Uiso 1 1 calc R U
C82 C 0.1238(11) 1.2197(9) 0.2530(5) 0.031(3) Uani 1 1 d . .
H82A H 0.1957 1.2618 0.2564 0.046 Uiso 1 1 calc R U
H82B H 0.0751 1.2239 0.2136 0.046 Uiso 1 1 calc R U
H82C H 0.0951 1.2412 0.2869 0.046 Uiso 1 1 calc R U
C8 C 0.0416(11) 1.0509(10) 0.2522(5) 0.026(3) Uani 1 1 d . .
H8A H -0.0237 1.0711 0.2497 0.031 Uiso 1 1 calc R U
C72 C 0.5477(11) 0.6294(10) 0.4717(5) 0.029(3) Uani 1 1 d . .
H72A H 0.5301 0.5738 0.4942 0.043 Uiso 1 1 calc R U
H72B H 0.6027 0.6199 0.4503 0.043 Uiso 1 1 calc R U
H72C H 0.5756 0.6897 0.5008 0.043 Uiso 1 1 calc R U
C6 C -0.0089(12) 1.0061(9) 0.0979(5) 0.031(3) Uani 1 1 d . .
H6A H -0.0734 0.9793 0.1097 0.037 Uiso 1 1 calc R U
C31 C 0.3510(11) 0.6267(10) 0.1985(6) 0.034(3) Uani 1 1 d . .
H31A H 0.3943 0.5818 0.1891 0.051 Uiso 1 1 calc R U
H31B H 0.3196 0.6515 0.1608 0.051 Uiso 1 1 calc R U
H31C H 0.3972 0.6815 0.2289 0.051 Uiso 1 1 calc R U
C1 C 0.2986(11) 0.9415(10) 0.1358(6) 0.031(3) Uani 1 1 d . .
H1A H 0.2582 0.9888 0.1251 0.037 Uiso 1 1 calc R U
C41 C 0.4283(10) 1.0959(10) 0.4345(6) 0.031(3) Uani 1 1 d . .
H41A H 0.4304 1.1624 0.4516 0.047 Uiso 1 1 calc R U
H41B H 0.3959 1.0863 0.3900 0.047 Uiso 1 1 calc R U
H41C H 0.3847 1.0485 0.4541 0.047 Uiso 1 1 calc R U
N1S N 0.1783(9) 0.2075(8) 0.4693(4) 0.026(2) Uani 1 1 d . .
O1S O 0.2369(9) 0.0992(7) 0.5306(4) 0.045(3) Uani 1 1 d . .
N2 N 0.7096(9) 0.8609(8) 0.2788(4) 0.026(3) Uani 1 1 d . .
N10 N 0.1367(9) 0.5958(8) 0.0598(4) 0.032(3) Uani 1 1 d . .
N9 N 0.0976(9) 0.7923(8) 0.4117(5) 0.035(3) Uani 1 1 d . .
C1S C 0.2112(11) 0.1766(10) 0.5233(6) 0.032(3) Uani 1 1 d . .
H1SA H 0.2150 0.2182 0.5593 0.038 Uiso 1 1 calc R U
C2 C 0.6267(11) 0.8655(9) 0.3009(6) 0.030(3) Uani 1 1 d . .
H2A H 0.6416 0.8967 0.3419 0.035 Uiso 1 1 calc R U
C51 C -0.3371(11) 0.6245(10) 0.0142(5) 0.035(4) Uani 1 1 d . .
H51A H -0.4066 0.6321 -0.0101 0.052 Uiso 1 1 calc R U
H51B H -0.2961 0.6036 -0.0136 0.052 Uiso 1 1 calc R U
H51C H -0.3499 0.5753 0.0418 0.052 Uiso 1 1 calc R U
C2S C 0.1724(13) 0.1517(12) 0.4124(5) 0.046(4) Uani 1 1 d . .
H2SA H 0.1466 0.1863 0.3781 0.068 Uiso 1 1 calc R U
H2SB H 0.2445 0.1428 0.4119 0.068 Uiso 1 1 calc R U
H2SC H 0.1222 0.0877 0.4084 0.068 Uiso 1 1 calc R U
C12 C 0.4073(11) 1.0068(10) 0.0670(6) 0.040(4) Uani 1 1 d . .
H12A H 0.4700 0.9941 0.0538 0.059 Uiso 1 1 calc R U
H12B H 0.3454 0.9967 0.0312 0.059 Uiso 1 1 calc R U
H12C H 0.4249 1.0744 0.0869 0.059 Uiso 1 1 calc R U
C21 C 0.6970(12) 0.8138(11) 0.2171(5) 0.038(4) Uani 1 1 d . .
H21A H 0.7686 0.8182 0.2093 0.058 Uiso 1 1 calc R U
H21B H 0.6590 0.7450 0.2133 0.058 Uiso 1 1 calc R U
H21C H 0.6551 0.8465 0.1869 0.058 Uiso 1 1 calc R U
C42 C 0.6306(11) 1.1630(10) 0.4790(5) 0.035(4) Uani 1 1 d . .
H42A H 0.6026 1.2192 0.4894 0.052 Uiso 1 1 calc R U
H42B H 0.6696 1.1434 0.5169 0.052 Uiso 1 1 calc R U
H42C H 0.6800 1.1809 0.4526 0.052 Uiso 1 1 calc R U
C3S C 0.1529(12) 0.3020(10) 0.4653(6) 0.041(4) Uani 1 1 d . .
H3SA H 0.1304 0.3113 0.4219 0.062 Uiso 1 1 calc R U
H3SB H 0.0941 0.3051 0.4851 0.062 Uiso 1 1 calc R U
H3SC H 0.2172 0.3536 0.4862 0.062 Uiso 1 1 calc R U
C22 C 0.8182(11) 0.8950(11) 0.3188(6) 0.041(4) Uani 1 1 d . .
H22A H 0.8711 0.8867 0.2955 0.061 Uiso 1 1 calc R U
H22B H 0.8308 0.9642 0.3343 0.061 Uiso 1 1 calc R U
H22C H 0.8258 0.8569 0.3535 0.061 Uiso 1 1 calc R U
C32 C 0.2654(12) 0.4775(10) 0.2374(7) 0.041(4) Uani 1 1 d . .
H32A H 0.3215 0.4551 0.2219 0.061 Uiso 1 1 calc R U
H32B H 0.2805 0.4773 0.2821 0.061 Uiso 1 1 calc R U
H32C H 0.1945 0.4337 0.2177 0.061 Uiso 1 1 calc R U
C9 C 0.1643(11) 0.7901(12) 0.3752(6) 0.039(4) Uani 1 1 d . .
H9A H 0.1731 0.7279 0.3615 0.047 Uiso 1 1 calc R U
C91 C 0.0404(13) 0.7068(12) 0.4324(6) 0.048(4) Uani 1 1 d . .
H91A H -0.0037 0.7264 0.4587 0.072 Uiso 1 1 calc R U
H91B H -0.0066 0.6615 0.3966 0.072 Uiso 1 1 calc R U
H91C H 0.0927 0.6746 0.4559 0.072 Uiso 1 1 calc R U
C101 C 0.2058(13) 0.6625(12) 0.0325(6) 0.053(5) Uani 1 1 d . .
H10A H 0.2480 0.6271 0.0124 0.079 Uiso 1 1 calc R U
H10B H 0.1616 0.6927 0.0019 0.079 Uiso 1 1 calc R U
H10C H 0.2551 0.7134 0.0645 0.079 Uiso 1 1 calc R U
C61 C -0.1079(14) 1.1157(12) 0.0426(6) 0.052(5) Uani 1 1 d . .
H61A H -0.0914 1.1706 0.0195 0.078 Uiso 1 1 calc R U
H61B H -0.1644 1.0626 0.0157 0.078 Uiso 1 1 calc R U
H61C H -0.1335 1.1372 0.0778 0.078 Uiso 1 1 calc R U
C62 C 0.0854(12) 1.1321(11) 0.0496(7) 0.054(5) Uani 1 1 d . .
H62A H 0.0688 1.1840 0.0253 0.082 Uiso 1 1 calc R U
H62B H 0.1412 1.1608 0.0875 0.082 Uiso 1 1 calc R U
H62C H 0.1119 1.0864 0.0255 0.082 Uiso 1 1 calc R U
C10 C 0.0719(12) 0.6220(15) 0.0894(6) 0.053(5) Uani 1 1 d . .
H10D H 0.0357 0.5762 0.1111 0.064 Uiso 1 1 calc R U
C52 C -0.3242(12) 0.7990(12) 0.0441(6) 0.048(5) Uani 1 1 d . .
H52A H -0.3957 0.7777 0.0149 0.072 Uiso 1 1 calc R U
H52B H -0.3322 0.8239 0.0841 0.072 Uiso 1 1 calc R U
H52C H -0.2784 0.8508 0.0286 0.072 Uiso 1 1 calc R U
C92 C 0.0798(13) 0.8861(12) 0.4322(8) 0.066(6) Uani 1 1 d . .
H92A H 0.0292 0.8763 0.4586 0.099 Uiso 1 1 calc R U
H92B H 0.1488 0.9295 0.4556 0.099 Uiso 1 1 calc R U
H92C H 0.0494 0.9157 0.3964 0.099 Uiso 1 1 calc R U
C102 C 0.1503(16) 0.4954(11) 0.0552(7) 0.067(6) Uani 1 1 d . .
H10E H 0.2027 0.4902 0.0310 0.101 Uiso 1 1 calc R U
H10F H 0.1766 0.4789 0.0966 0.101 Uiso 1 1 calc R U
H10G H 0.0805 0.4502 0.0349 0.101 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 '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
O7D Pb2 O4D 77.2(3) . .
O7D Pb2 O2D 85.2(3) . .
O4D Pb2 O2D 82.7(3) . .
O7D Pb2 O9D 81.1(3) . .
O4D Pb2 O9D 83.5(3) . .
O2D Pb2 O9D 162.3(3) . .
O7D Pb2 O35 148.8(2) . 1_565
O4D Pb2 O35 75.5(3) . 1_565
O2D Pb2 O35 76.7(3) . 1_565
O9D Pb2 O35 110.2(3) . 1_565
O7D Pb2 O3D 74.3(3) . .
O4D Pb2 O3D 148.3(3) . .
O2D Pb2 O3D 108.2(3) . .
O9D Pb2 O3D 78.8(3) . .
O35 Pb2 O3D 135.5(2) 1_565 .
O5D Pb1 O10D 77.8(3) . .
O5D Pb1 O8D 90.1(3) . .
O10D Pb1 O8D 166.7(4) . .
O5D Pb1 O6D 73.5(3) . .
O10D Pb1 O6D 93.0(3) . .
O8D Pb1 O6D 78.2(3) . .
O5D Pb1 O1D 140.5(3) . .
O10D Pb1 O1D 81.7(3) . .
O8D Pb1 O1D 105.1(3) . .
O6D Pb1 O1D 74.3(3) . .
O5D Pb1 O5 71.8(3) . 1_455
O10D Pb1 O5 93.1(3) . 1_455
O8D Pb1 O5 88.1(3) . 1_455
O6D Pb1 O5 142.5(3) . 1_455
O1D Pb1 O5 143.2(3) . 1_455
O15 W1 O32 101.6(3) . .
O15 W1 O25 101.6(4) . .
O32 W1 O25 85.8(3) . .
O15 W1 O4 101.1(4) . .
O32 W1 O4 90.1(3) . .
O25 W1 O4 157.3(3) . .
O15 W1 O22 101.4(4) . .
O32 W1 O22 156.9(3) . .
O25 W1 O22 87.5(3) . .
O4 W1 O22 87.6(3) . .
O15 W1 O34 170.8(3) . .
O32 W1 O34 85.3(3) . .
O25 W1 O34 84.8(3) . .
O4 W1 O34 72.5(3) . .
O22 W1 O34 72.1(3) . .
O23 W2 O36 103.6(4) . .
O23 W2 O28 101.5(4) . .
O36 W2 O28 85.7(3) . .
O23 W2 O39 99.3(3) . .
O36 W2 O39 90.4(3) . .
O28 W2 O39 159.1(3) . .
O23 W2 O13 98.5(3) . .
O36 W2 O13 157.8(3) . .
O28 W2 O13 87.4(3) . .
O39 W2 O13 88.6(3) . .
O23 W2 O17 168.8(3) . .
O36 W2 O17 85.5(3) . .
O28 W2 O17 85.5(3) . .
O39 W2 O17 73.8(3) . .
O13 W2 O17 72.9(3) . .
O6 W3 O37 101.3(4) . .
O6 W3 O31 101.1(3) . .
O37 W3 O31 85.8(3) . .
O6 W3 O19 100.9(3) . .
O37 W3 O19 89.9(3) . .
O31 W3 O19 158.0(3) . .
O6 W3 O39 101.1(4) . .
O37 W3 O39 157.6(3) . .
O31 W3 O39 88.3(3) . .
O19 W3 O39 87.6(3) . .
O6 W3 O17 171.8(3) . .
O37 W3 O17 84.6(3) . .
O31 W3 O17 84.8(3) . .
O19 W3 O17 73.3(3) . .
O39 W3 O17 73.3(3) . .
O27 W4 O22 100.1(4) . .
O27 W4 O40 101.8(4) . .
O22 W4 O40 89.4(3) . .
O27 W4 O26 103.0(4) . .
O22 W4 O26 156.9(3) . .
O40 W4 O26 85.5(3) . .
O27 W4 O30 100.5(3) . .
O22 W4 O30 87.8(3) . .
O40 W4 O30 157.6(3) . .
O26 W4 O30 88.3(3) . .
O27 W4 O34 170.2(3) . .
O22 W4 O34 73.0(3) . .
O40 W4 O34 85.4(3) . .
O26 W4 O34 84.1(3) . .
O30 W4 O34 72.6(3) . .
O10 W5 O21 103.5(3) . .
O10 W5 O25 103.0(4) . .
O21 W5 O25 86.4(3) . .
O10 W5 O18 100.1(3) . .
O21 W5 O18 156.4(3) . .
O25 W5 O18 89.9(3) . .
O10 W5 O33 98.9(4) . .
O21 W5 O33 88.1(3) . .
O25 W5 O33 158.0(3) . .
O18 W5 O33 86.7(3) . .
O10 W5 O20 167.7(3) . .
O21 W5 O20 84.8(3) . .
O25 W5 O20 86.4(3) . .
O18 W5 O20 71.7(3) . .
O33 W5 O20 71.9(3) . .
O7 W6 O2 101.7(3) . .
O7 W6 O36 101.9(4) . .
O2 W6 O36 156.3(3) . .
O7 W6 O29 102.1(4) . .
O2 W6 O29 91.1(3) . .
O36 W6 O29 85.6(3) . .
O7 W6 O8 99.9(4) . .
O2 W6 O8 86.9(3) . .
O36 W6 O8 87.5(3) . .
O29 W6 O8 157.9(3) . .
O7 W6 O11 170.6(3) . .
O2 W6 O11 73.0(3) . .
O36 W6 O11 83.4(3) . .
O29 W6 O11 85.9(3) . .
O8 W6 O11 72.4(3) . .
O38 W7 O21 102.6(4) . .
O38 W7 O13 99.6(4) . .
O21 W7 O13 89.5(3) . .
O38 W7 O32 102.7(4) . .
O21 W7 O32 85.4(3) . .
O13 W7 O32 157.7(3) . .
O38 W7 O19 99.6(3) . .
O21 W7 O19 157.7(3) . .
O13 W7 O19 87.7(3) . .
O32 W7 O19 88.9(3) . .
O38 W7 O17 169.5(3) . .
O21 W7 O17 85.1(3) . .
O13 W7 O17 73.0(3) . .
O32 W7 O17 84.9(3) . .
O19 W7 O17 73.0(3) . .
O35 W8 O16 101.2(4) . .
O35 W8 O30 101.4(3) . .
O16 W8 O30 91.2(3) . .
O35 W8 O37 100.5(3) . .
O16 W8 O37 86.0(3) . .
O30 W8 O37 158.1(3) . .
O35 W8 O4 99.7(4) . .
O16 W8 O4 159.0(3) . .
O30 W8 O4 87.2(3) . .
O37 W8 O4 87.7(3) . .
O35 W8 O34 171.2(3) . .
O16 W8 O34 86.3(3) . .
O30 W8 O34 73.7(3) . .
O37 W8 O34 84.5(3) . .
O4 W8 O34 73.1(3) . .
O3 W9 O26 102.4(4) . .
O3 W9 O24 102.4(4) . .
O26 W9 O24 85.6(3) . .
O3 W9 O2 100.7(4) . .
O26 W9 O2 156.9(3) . .
O24 W9 O2 88.4(3) . .
O3 W9 O12 99.8(3) . .
O26 W9 O12 90.3(3) . .
O24 W9 O12 157.8(3) . .
O2 W9 O12 86.9(3) . .
O3 W9 O11 170.5(4) . .
O26 W9 O11 84.3(3) . .
O24 W9 O11 84.7(3) . .
O2 W9 O11 73.0(3) . .
O12 W9 O11 73.2(3) . .
O9 W10 O31 101.7(3) . .
O9 W10 O8 100.6(4) . .
O31 W10 O8 90.3(3) . .
O9 W10 O12 99.9(3) . .
O31 W10 O12 158.3(3) . .
O8 W10 O12 88.0(3) . .
O9 W10 O16 101.4(4) . .
O31 W10 O16 84.6(3) . .
O8 W10 O16 158.0(3) . .
O12 W10 O16 88.9(3) . .
O9 W10 O11 171.6(3) . .
O31 W10 O11 84.8(3) . .
O8 W10 O11 73.9(3) . .
O12 W10 O11 73.9(3) . .
O16 W10 O11 84.3(3) . .
O14 W11 O24 101.8(4) . .
O14 W11 O18 101.3(4) . .
O24 W11 O18 156.9(3) . .
O14 W11 O1 100.0(4) . .
O24 W11 O1 89.7(3) . .
O18 W11 O1 88.0(3) . .
O14 W11 O40 101.9(4) . .
O24 W11 O40 86.0(3) . .
O18 W11 O40 87.6(3) . .
O1 W11 O40 158.1(3) . .
O14 W11 O20 170.5(3) . .
O24 W11 O20 84.9(3) . .
O18 W11 O20 72.4(3) . .
O1 W11 O20 73.1(3) . .
O40 W11 O20 85.1(3) . .
O5 W12 O28 102.4(4) . .
O5 W12 O29 102.2(4) . .
O28 W12 O29 85.9(3) . .
O5 W12 O33 100.0(4) . .
O28 W12 O33 90.2(3) . .
O29 W12 O33 157.7(3) . .
O5 W12 O1 99.6(4) . .
O28 W12 O1 157.9(3) . .
O29 W12 O1 87.5(3) . .
O33 W12 O1 87.9(3) . .
O5 W12 O20 169.6(3) . .
O28 W12 O20 85.6(3) . .
O29 W12 O20 84.8(3) . .
O33 W12 O20 73.0(3) . .
O1 W12 O20 72.9(3) . .
O11 Si1 O20 109.3(4) . .
O11 Si1 O34 109.8(4) . .
O20 Si1 O34 109.8(4) . .
O11 Si1 O17 109.7(4) . .
O20 Si1 O17 109.0(4) . .
O34 Si1 O17 109.2(4) . .
W4 O40 W11 150.9(5) . .
W2 O39 W3 121.2(4) . .
W3 O37 W8 151.2(4) . .
W2 O36 W6 152.1(4) . .
W8 O35 Pb2 159.8(5) . 1_545
Si1 O34 W8 123.4(4) . .
Si1 O34 W4 124.1(4) . .
W8 O34 W4 91.6(3) . .
Si1 O34 W1 124.5(4) . .
W8 O34 W1 91.9(3) . .
W4 O34 W1 91.7(3) . .
W12 O33 W5 123.5(4) . .
W1 O32 W7 151.7(4) . .
W10 O31 W3 152.2(4) . .
W8 O30 W4 122.1(4) . .
W12 O29 W6 150.8(4) . .
W12 O28 W2 150.7(4) . .
W9 O26 W4 152.4(4) . .
W5 O25 W1 150.5(4) . .
W11 O24 W9 151.3(4) . .
W4 O22 W1 123.1(4) . .
W5 O21 W7 151.6(4) . .
Si1 O20 W12 125.1(4) . .
Si1 O20 W11 124.0(4) . .
W12 O20 W11 91.9(2) . .
Si1 O20 W5 123.1(4) . .
W12 O20 W5 91.7(2) . .
W11 O20 W5 91.4(3) . .
W3 O19 W7 121.6(3) . .
W11 O18 W5 124.5(4) . .
Si1 O17 W2 123.7(4) . .
Si1 O17 W3 123.5(4) . .
W2 O17 W3 91.7(3) . .
Si1 O17 W7 124.3(4) . .
W2 O17 W7 92.3(2) . .
W3 O17 W7 92.1(2) . .
W8 O16 W10 151.7(4) . .
W7 O13 W2 121.8(4) . .
W10 O12 W9 121.8(4) . .
Si1 O11 W10 125.1(4) . .
Si1 O11 W9 124.1(4) . .
W10 O11 W9 91.2(2) . .
Si1 O11 W6 124.1(4) . .
W10 O11 W6 91.3(3) . .
W9 O11 W6 90.9(2) . .
W10 O8 W6 122.3(4) . .
W12 O5 Pb1 151.7(4) . 1_655
W1 O4 W8 122.4(4) . .
C7 O7D Pb2 124.4(7) . .
W6 O2 W9 123.2(4) . .
C6 O6D Pb1 124.1(8) . .
C5 O5D Pb1 123.9(8) . .
C4 O4D Pb2 144.9(8) . .
W11 O1 W12 122.1(4) . .
C3 O3D Pb2 120.4(7) . .
C2 O2D Pb2 131.3(8) . .
C1 O1D Pb1 123.1(8) . .
C8 O8D Pb1 136.4(8) . .
C10 O10D Pb1 130.5(9) . .
C9 O9D Pb2 123.7(10) . .
C7 N7 C71 120.8(10) . .
C7 N7 C72 121.0(10) . .
C71 N7 C72 118.1(10) . .
C4 N4 C42 121.8(11) . .
C4 N4 C41 119.4(11) . .
C42 N4 C41 118.7(10) . .
C8 N8 C81 122.1(11) . .
C8 N8 C82 118.2(11) . .
C81 N8 C82 119.7(10) . .
C3 N3 C32 122.1(11) . .
C3 N3 C31 119.0(11) . .
C32 N3 C31 118.4(11) . .
C1 N1 C12 122.1(13) . .
C1 N1 C11 121.4(11) . .
C12 N1 C11 116.5(11) . .
C5 N5 C52 120.7(11) . .
C5 N5 C51 122.3(12) . .
C52 N5 C51 117.0(10) . .
C6 N6 C62 121.1(13) . .
C6 N6 C61 122.7(13) . .
C62 N6 C61 116.2(12) . .
O3D C3 N3 125.8(12) . .
O3D C3 H3A 117.1 . .
N3 C3 H3A 117.1 . .
N7 C71 H71A 109.5 . .
N7 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
N7 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
O4D C4 N4 126.2(13) . .
O4D C4 H4A 116.9 . .
N4 C4 H4A 116.9 . .
O5D C5 N5 124.6(13) . .
O5D C5 H5A 117.7 . .
N5 C5 H5A 117.7 . .
N8 C81 H81A 109.5 . .
N8 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
N8 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
O7D C7 N7 122.7(11) . .
O7D C7 H7A 118.7 . .
N7 C7 H7A 118.7 . .
N1 C11 H11A 109.5 . .
N1 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
N1 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N8 C82 H82A 109.5 . .
N8 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
N8 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
O8D C8 N8 123.8(13) . .
O8D C8 H8A 118.1 . .
N8 C8 H8A 118.1 . .
N7 C72 H72A 109.5 . .
N7 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
N7 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
O6D C6 N6 126.5(13) . .
O6D C6 H6A 116.8 . .
N6 C6 H6A 116.8 . .
N3 C31 H31A 109.5 . .
N3 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
N3 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
O1D C1 N1 125.1(14) . .
O1D C1 H1A 117.4 . .
N1 C1 H1A 117.4 . .
N4 C41 H41A 109.5 . .
N4 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
N4 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C1S N1S C2S 121.6(12) . .
C1S N1S C3S 121.7(11) . .
C2S N1S C3S 116.5(11) . .
C2 N2 C22 119.4(10) . .
C2 N2 C21 122.1(12) . .
C22 N2 C21 118.3(11) . .
C10 N10 C101 123.3(14) . .
C10 N10 C102 121.8(14) . .
C101 N10 C102 114.8(12) . .
C9 N9 C91 124.2(13) . .
C9 N9 C92 118.7(13) . .
C91 N9 C92 117.1(12) . .
O1S C1S N1S 125.7(13) . .
O1S C1S H1SA 117.1 . .
N1S C1S H1SA 117.1 . .
O2D C2 N2 125.9(12) . .
O2D C2 H2A 117.1 . .
N2 C2 H2A 117.1 . .
N5 C51 H51A 109.5 . .
N5 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
N5 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
N1S C2S H2SA 109.5 . .
N1S C2S H2SB 109.5 . .
H2SA C2S H2SB 109.5 . .
N1S C2S H2SC 109.5 . .
H2SA C2S H2SC 109.5 . .
H2SB C2S H2SC 109.5 . .
N1 C12 H12A 109.5 . .
N1 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N1 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N2 C21 H21A 109.5 . .
N2 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
N2 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N4 C42 H42A 109.5 . .
N4 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
N4 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
N1S C3S H3SA 109.5 . .
N1S C3S H3SB 109.5 . .
H3SA C3S H3SB 109.5 . .
N1S C3S H3SC 109.5 . .
H3SA C3S H3SC 109.5 . .
H3SB C3S H3SC 109.5 . .
N2 C22 H22A 109.5 . .
N2 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
N2 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N3 C32 H32A 109.5 . .
N3 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
N3 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
O9D C9 N9 125.8(15) . .
O9D C9 H9A 117.1 . .
N9 C9 H9A 117.1 . .
N9 C91 H91A 109.5 . .
N9 C91 H91B 109.5 . .
H91A C91 H91B 109.5 . .
N9 C91 H91C 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
N10 C101 H10A 109.5 . .
N10 C101 H10B 109.5 . .
H10A C101 H10B 109.5 . .
N10 C101 H10C 109.5 . .
H10A C101 H10C 109.5 . .
H10B C101 H10C 109.5 . .
N6 C61 H61A 109.5 . .
N6 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
N6 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
N6 C62 H62A 109.5 . .
N6 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
N6 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
O10D C10 N10 122.1(16) . .
O10D C10 H10D 118.9 . .
N10 C10 H10D 118.9 . .
N5 C52 H52A 109.5 . .
N5 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
N5 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
N9 C92 H92A 109.5 . .
N9 C92 H92B 109.5 . .
H92A C92 H92B 109.5 . .
N9 C92 H92C 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
N10 C102 H10E 109.5 . .
N10 C102 H10F 109.5 . .
H10E C102 H10F 109.5 . .
N10 C102 H10G 109.5 . .
H10E C102 H10G 109.5 . .
H10F C102 H10G 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb2 O7D 2.390(8) .
Pb2 O4D 2.444(8) .
Pb2 O2D 2.472(9) .
Pb2 O9D 2.568(11) .
Pb2 O35 2.662(8) 1_565
Pb2 O3D 2.686(8) .
Pb1 O5D 2.435(8) .
Pb1 O10D 2.506(10) .
Pb1 O8D 2.525(9) .
Pb1 O6D 2.544(9) .
Pb1 O1D 2.703(9) .
Pb1 O5 2.709(8) 1_455
W1 O15 1.692(8) .
W1 O32 1.889(7) .
W1 O25 1.908(8) .
W1 O4 1.918(7) .
W1 O22 1.942(7) .
W1 O34 2.355(7) .
W2 O23 1.695(8) .
W2 O36 1.892(6) .
W2 O28 1.916(8) .
W2 O39 1.918(8) .
W2 O13 1.941(7) .
W2 O17 2.332(7) .
W3 O6 1.694(8) .
W3 O37 1.889(8) .
W3 O31 1.912(7) .
W3 O19 1.922(7) .
W3 O39 1.930(7) .
W3 O17 2.343(7) .
W4 O27 1.707(7) .
W4 O22 1.896(7) .
W4 O40 1.898(8) .
W4 O26 1.906(9) .
W4 O30 1.934(7) .
W4 O34 2.346(7) .
W5 O10 1.687(8) .
W5 O21 1.893(7) .
W5 O25 1.901(8) .
W5 O18 1.919(7) .
W5 O33 1.932(8) .
W5 O20 2.367(7) .
W6 O7 1.689(9) .
W6 O2 1.908(7) .
W6 O36 1.910(6) .
W6 O29 1.911(8) .
W6 O8 1.947(8) .
W6 O11 2.370(8) .
W7 O38 1.705(7) .
W7 O21 1.900(7) .
W7 O13 1.919(8) .
W7 O32 1.922(7) .
W7 O19 1.942(8) .
W7 O17 2.344(7) .
W8 O35 1.711(7) .
W8 O16 1.868(8) .
W8 O30 1.895(7) .
W8 O37 1.915(7) .
W8 O4 1.924(8) .
W8 O34 2.328(7) .
W9 O3 1.711(7) .
W9 O26 1.903(9) .
W9 O24 1.913(8) .
W9 O2 1.924(8) .
W9 O12 1.929(8) .
W9 O11 2.360(7) .
W10 O9 1.697(8) .
W10 O31 1.896(6) .
W10 O8 1.900(8) .
W10 O12 1.915(7) .
W10 O16 1.936(8) .
W10 O11 2.340(7) .
W11 O14 1.687(7) .
W11 O24 1.894(7) .
W11 O18 1.899(7) .
W11 O1 1.912(8) .
W11 O40 1.927(8) .
W11 O20 2.352(6) .
W12 O5 1.716(8) .
W12 O28 1.899(7) .
W12 O29 1.902(7) .
W12 O33 1.903(8) .
W12 O1 1.943(7) .
W12 O20 2.341(8) .
Si1 O11 1.610(8) .
Si1 O20 1.629(8) .
Si1 O34 1.639(8) .
Si1 O17 1.646(7) .
O35 Pb2 2.662(8) 1_545
O5 Pb1 2.709(8) 1_655
O7D C7 1.246(13) .
O6D C6 1.230(16) .
O5D C5 1.252(14) .
O4D C4 1.224(13) .
O3D C3 1.225(14) .
O2D C2 1.250(15) .
O1D C1 1.226(15) .
O8D C8 1.247(15) .
O10D C10 1.27(2) .
O9D C9 1.236(18) .
N7 C7 1.325(14) .
N7 C71 1.456(13) .
N7 C72 1.468(14) .
N4 C4 1.325(14) .
N4 C42 1.461(15) .
N4 C41 1.492(15) .
N8 C8 1.334(15) .
N8 C81 1.447(15) .
N8 C82 1.455(15) .
N3 C3 1.333(15) .
N3 C32 1.443(16) .
N3 C31 1.447(14) .
N1 C1 1.321(16) .
N1 C12 1.459(15) .
N1 C11 1.472(16) .
N5 C5 1.317(14) .
N5 C52 1.428(17) .
N5 C51 1.465(15) .
N6 C6 1.342(16) .
N6 C62 1.431(17) .
N6 C61 1.461(18) .
C3 H3A 0.9500 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C4 H4A 0.9500 .
C5 H5A 0.9500 .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
C7 H7A 0.9500 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C8 H8A 0.9500 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C6 H6A 0.9500 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C1 H1A 0.9500 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
N1S C1S 1.332(16) .
N1S C2S 1.429(14) .
N1S C3S 1.450(17) .
O1S C1S 1.224(16) .
N2 C2 1.304(15) .
N2 C22 1.452(16) .
N2 C21 1.453(14) .
N10 C10 1.286(17) .
N10 C101 1.434(16) .
N10 C102 1.467(19) .
N9 C9 1.331(17) .
N9 C91 1.445(17) .
N9 C92 1.456(18) .
C1S H1SA 0.9500 .
C2 H2A 0.9500 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C2S H2SA 0.9800 .
C2S H2SB 0.9800 .
C2S H2SC 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C3S H3SA 0.9800 .
C3S H3SB 0.9800 .
C3S H3SC 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C9 H9A 0.9500 .
C91 H91A 0.9800 .
C91 H91B 0.9800 .
C91 H91C 0.9800 .
C101 H10A 0.9800 .
C101 H10B 0.9800 .
C101 H10C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C10 H10D 0.9500 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
C102 H10E 0.9800 .
C102 H10F 0.9800 .
C102 H10G 0.9800 .
