#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/87/7208792.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_7208792
loop_
_publ_author_name
'Zhu, Min'
'Su, Sheng-Qun'
'Song, Xue-Zhi'
'Hao, Zhao-Min'
'Song, Shu-Yan'
'Zhang, Hong-Jie'
_publ_section_title
;
 A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy]
 complexes through combinational effects of POM and isomeric ligands
;
_journal_issue                   20
_journal_name_full               CrystEngComm
_journal_page_first              6452
_journal_paper_doi               10.1039/c2ce25979f
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C112 H162.2 Ag7 N32 Na2 O147.6 P4 W36'
_chemical_formula_weight         11861.61
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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-97
_cell_angle_alpha                95.9410(10)
_cell_angle_beta                 100.6390(10)
_cell_angle_gamma                115.4790(10)
_cell_formula_units_Z            1
_cell_length_a                   15.0870(8)
_cell_length_b                   15.3430(8)
_cell_length_c                   26.0420(14)
_cell_measurement_reflns_used    13481
_cell_measurement_temperature    187(2)
_cell_measurement_theta_max      26.17
_cell_measurement_theta_min      0.81
_cell_volume                     5233.5(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      187(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0841
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            31508
_diffrn_reflns_theta_full        26.17
_diffrn_reflns_theta_max         26.17
_diffrn_reflns_theta_min         0.81
_exptl_absorpt_coefficient_mu    20.462
_exptl_absorpt_correction_T_max  0.046
_exptl_absorpt_correction_T_min  0.013
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick, 1996'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.638
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5091.0
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_platon_squeeze_details
;
;
_refine_diff_density_max         4.662
_refine_diff_density_min         -4.467
_refine_diff_density_rms         0.596
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1400
_refine_ls_number_reflns         20538
_refine_ls_number_restraints     198
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0870P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1459
_refine_ls_wR_factor_ref         0.1630
_reflns_number_gt                13481
_reflns_number_total             20961
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25979f.txt
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C112 H162.2 Ag7 Na2 N32 O147.6 P4 W36'
_cod_database_code               7208792
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Na1 Na 0.8592(6) 0.3339(7) -0.9387(3) 0.039(2) Uani 1 1 d .
W1 W 0.23823(6) -0.02246(6) -0.86484(3) 0.02195(18) Uani 1 1 d .
W2 W 0.42753(6) 0.33959(6) -0.87568(3) 0.02064(17) Uani 1 1 d .
W3 W 0.17313(6) 0.16101(6) -0.86101(3) 0.02107(17) Uani 1 1 d .
W4 W 0.13393(6) 0.01611(6) -0.65048(3) 0.02508(19) Uani 1 1 d .
W5 W 0.79854(6) 0.48181(6) -0.68953(3) 0.0284(2) Uani 1 1 d .
W6 W 0.62423(5) 0.12076(6) -0.75507(3) 0.02051(17) Uani 1 1 d .
W7 W 0.40641(6) 0.07822(6) -0.62366(3) 0.02146(17) Uani 1 1 d .
W8 W 0.68702(6) 0.52608(6) -0.80187(3) 0.02514(19) Uani 1 1 d .
W9 W 0.21374(6) 0.31107(6) -0.73096(3) 0.02139(18) Uani 1 1 d .
W10 W 0.58321(6) 0.45762(6) -0.63382(3) 0.02328(18) Uani 1 1 d .
W11 W 0.36962(5) -0.05992(5) -0.74200(3) 0.02004(17) Uani 1 1 d .
W12 W 0.46563(6) 0.49044(6) -0.74729(3) 0.02224(18) Uani 1 1 d .
W13 W 0.33144(6) 0.27619(6) -0.61833(3) 0.02091(17) Uani 1 1 d .
W14 W 0.49264(6) 0.15552(6) -0.87891(3) 0.02128(17) Uani 1 1 d .
W15 W 0.75515(6) 0.34333(6) -0.80957(3) 0.02433(19) Uani 1 1 d .
W16 W 0.02180(6) 0.04886(6) -0.76660(3) 0.02413(18) Uani 1 1 d .
W17 W 0.65929(6) 0.25960(6) -0.63774(3) 0.02320(18) Uani 1 1 d .
W18 W 0.09438(6) -0.13106(6) -0.76792(3) 0.02444(19) Uani 1 1 d .
Ag1 Ag 0.98701(16) 0.29802(18) -0.81793(10) 0.0666(7) Uani 1 1 d .
Ag2 Ag -0.0348(2) -0.2484(2) -0.65513(15) 0.1016(10) Uani 1 1 d .
Ag3 Ag 0.93518(12) 0.18269(12) -0.98837(7) 0.0362(4) Uani 1 1 d .
Ag4 Ag 1.0000 0.0000 -1.0000 0.0308(5) Uani 1 2 d S
P1 P 0.5491(3) 0.3088(3) -0.75545(18) 0.0142(9) Uani 1 1 d .
P2 P 0.2819(3) 0.1193(3) -0.73955(18) 0.0137(9) Uani 1 1 d .
OW1 O 0.9044(13) 0.2166(14) -0.7596(9) 0.076(6) Uani 1 1 d .
O1 O 0.3742(9) -0.1691(9) -0.7531(5) 0.025(3) Uani 1 1 d .
O2 O 0.7552(9) 0.4586(9) -0.8305(5) 0.025(3) Uani 1 1 d .
O3 O 0.3493(10) 0.4123(9) -0.7271(5) 0.027(3) Uani 1 1 d .
O4 O 0.0687(9) 0.0797(9) -0.8266(5) 0.024(3) Uani 1 1 d .
O5 O 0.0841(10) -0.1097(10) -0.6956(6) 0.034(4) Uani 1 1 d .
O6 O 0.7039(9) 0.5063(9) -0.6583(5) 0.027(3) Uani 1 1 d U
O7 O 0.7895(10) 0.5685(10) -0.7373(6) 0.033(3) Uani 1 1 d .
O8 O 0.6312(9) 0.2616(9) -0.8594(5) 0.024(3) Uani 1 1 d .
O9 O 0.4772(9) 0.2600(9) -0.8112(5) 0.025(3) Uani 1 1 d .
O10 O 0.2611(9) 0.0161(9) -0.6322(5) 0.023(3) Uani 1 1 d .
O11 O 0.0984(9) 0.1859(10) -0.7358(5) 0.028(3) Uani 1 1 d .
O12 O 0.6766(9) 0.0421(10) -0.7684(6) 0.034(4) Uani 1 1 d .
O13 O 0.4506(9) 0.3809(9) -0.6270(5) 0.027(3) Uani 1 1 d .
O14 O 0.5116(9) 0.3692(9) -0.7232(5) 0.023(3) Uani 1 1 d .
O15 O 0.5937(9) 0.5397(9) -0.7668(5) 0.025(3) Uani 1 1 d .
O16 O 0.3288(9) -0.0404(9) -0.8105(5) 0.024(3) Uani 1 1 d .
O17 O 0.6880(9) 0.1735(9) -0.6808(5) 0.024(3) Uani 1 1 d U
O18 O 0.2955(10) 0.2340(9) -0.8773(5) 0.029(3) Uani 1 1 d .
O19 O 0.3577(8) 0.0721(8) -0.8807(5) 0.018(3) Uani 1 1 d .
O20 O 0.1503(10) 0.3788(10) -0.7379(6) 0.033(3) Uani 1 1 d .
O21 O -0.0066(9) -0.0851(9) -0.7858(5) 0.026(3) Uani 1 1 d .
O22 O 0.2254(9) -0.1197(8) -0.7451(5) 0.023(3) Uani 1 1 d .
O23 O 0.7576(10) 0.3658(10) -0.6620(5) 0.031(3) Uani 1 1 d .
O24 O 0.5384(10) 0.5349(9) -0.6738(5) 0.028(3) Uani 1 1 d .
O25 O 0.6568(9) 0.3860(8) -0.7612(5) 0.018(3) Uani 1 1 d .
O26 O 0.0876(10) -0.0157(10) -0.5965(6) 0.033(3) Uani 1 1 d .
O27 O 0.5375(9) 0.1037(9) -0.8225(5) 0.027(3) Uani 1 1 d .
O28 O 0.0248(9) 0.0284(9) -0.6935(6) 0.027(3) Uani 1 1 d .
O29 O 0.6335(10) 0.5313(9) -0.5725(5) 0.028(3) Uani 1 1 d .
O30 O 0.4013(9) 0.2024(9) -0.6090(5) 0.022(3) Uani 1 1 d .
O31 O 0.5675(9) 0.2335(8) -0.7254(5) 0.021(3) Uani 1 1 d .
O32 O 0.2096(9) 0.1548(9) -0.6278(5) 0.024(3) Uani 1 1 d .
O33 O 0.4105(9) 0.4083(9) -0.8167(5) 0.020(3) Uani 1 1 d .
O34 O 0.2468(9) 0.3268(9) -0.6556(5) 0.025(3) Uani 1 1 d .
O35 O 0.1753(9) 0.0448(9) -0.7334(5) 0.021(3) Uani 1 1 d .
O36 O 0.4529(9) 0.2429(9) -0.9135(5) 0.025(3) Uani 1 1 d .
O37 O 0.3964(8) -0.0361(9) -0.6662(5) 0.025(3) Uani 1 1 d .
O38 O 0.7372(10) 0.2734(11) -0.5772(6) 0.040(4) Uani 1 1 d .
O39 O 0.8448(8) 0.4274(9) -0.7418(5) 0.024(3) Uani 1 1 d .
O40 O 0.5035(10) 0.0919(10) -0.9333(6) 0.035(3) Uani 1 1 d .
O41 O 0.5385(9) 0.1540(9) -0.6332(5) 0.024(3) Uani 1 1 d .
O42 O 0.1620(9) 0.0383(9) -0.8967(5) 0.024(3) Uani 1 1 d .
O43 O -0.0996(9) 0.0378(9) -0.7841(6) 0.030(3) Uani 1 1 d .
O44 O 0.3392(9) 0.3224(9) -0.5542(5) 0.029(3) Uani 1 1 d .
O45 O 0.7244(9) 0.2356(9) -0.7721(5) 0.022(3) Uani 1 1 d .
O46 O 0.5052(9) 0.0264(9) -0.7381(5) 0.023(3) Uani 1 1 d .
O47 O 0.4408(10) 0.5867(9) -0.7561(6) 0.029(3) Uani 1 1 d .
O48 O 0.2723(8) 0.1147(9) -0.7989(5) 0.019(3) Uani 1 1 d U
O49 O 0.1354(9) -0.0931(9) -0.8317(5) 0.025(3) Uani 1 1 d .
O50 O 0.2051(9) 0.2642(9) -0.8030(5) 0.021(3) Uani 1 1 d .
O51 O 0.6091(9) 0.3498(9) -0.6213(5) 0.022(3) Uani 1 1 d .
O52 O 0.5658(8) 0.4320(8) -0.8555(5) 0.018(3) Uani 1 1 d .
O53 O 0.0925(9) 0.1793(10) -0.9088(5) 0.028(3) Uani 1 1 d .
O54 O 0.7264(10) 0.6262(10) -0.8297(6) 0.032(3) Uani 1 1 d .
O55 O 0.4428(10) 0.0621(10) -0.5607(6) 0.030(3) Uani 1 1 d .
O56 O 0.3580(9) 0.0859(9) -0.7153(5) 0.022(3) Uani 1 1 d .
O57 O 0.9107(10) 0.5578(11) -0.6448(6) 0.041(4) Uani 1 1 d .
O58 O 0.3861(9) 0.3838(9) -0.9276(5) 0.025(3) Uani 1 1 d .
O59 O 0.0234(11) -0.2539(10) -0.7898(6) 0.040(4) Uani 1 1 d .
O60 O 0.8401(10) 0.3333(10) -0.8416(6) 0.032(3) Uani 1 1 d .
O61 O 0.2054(10) -0.1182(9) -0.9166(5) 0.027(3) Uani 1 1 d .
O62 O 0.3040(8) 0.2216(9) -0.7105(5) 0.020(3) Uani 1 1 d .
N1 N -0.1997(18) -0.2078(18) -0.5352(10) 0.070(7) Uani 1 1 d U
N4 N -0.023(2) -0.131(2) -0.5229(12) 0.089(7) Uani 1 1 d U
N5 N 0.0671(14) -0.4719(15) -0.6999(9) 0.048(5) Uani 1 1 d .
N6 N 0.9378(13) 0.6104(13) -1.1313(8) 0.043(5) Uani 1 1 d U
N7 N 0.2248(11) -0.3750(12) -0.6901(7) 0.032(4) Uani 1 1 d .
N8 N 0.1033(14) -0.2463(14) -0.6091(8) 0.042(5) Uani 1 1 d .
N9 N 0.6864(12) -0.0049(12) -0.9323(7) 0.030(4) Uani 1 1 d U
N10 N 0.2610(12) -0.2151(12) -0.5777(7) 0.035(4) Uani 1 1 d .
N11 N 0.8233(13) 0.0953(12) -0.9501(7) 0.030(4) Uani 1 1 d .
N12 N 0.9598(14) 0.7209(13) -0.9762(7) 0.038(4) Uani 1 1 d .
N13 N 0.8178(13) 0.6034(12) -0.9681(8) 0.034(4) Uani 1 1 d .
N14 N 0.8886(11) -0.0953(11) -0.9661(7) 0.024(4) Uani 1 1 d .
N15 N 0.7396(12) -0.1889(13) -0.9530(7) 0.032(4) Uani 1 1 d .
N16 N 0.8182(12) 0.5090(12) -1.0996(7) 0.032(4) Uani 1 1 d .
C4 C -0.121(2) -0.142(3) -0.5490(14) 0.099(13) Uani 1 1 d .
H4 H -0.1284 -0.1053 -0.5742 0.118 Uiso 1 1 calc R
C5 C -0.388(2) -0.0626(19) -0.6209(13) 0.064(4) Uani 1 1 d .
H5 H -0.4199 -0.0578 -0.6538 0.077 Uiso 1 1 calc R
C6 C -0.164(3) -0.259(2) -0.5048(14) 0.084(10) Uani 1 1 d U
H6 H -0.2028 -0.3160 -0.4934 0.101 Uiso 1 1 calc R
C7 C -0.066(2) -0.213(2) -0.4954(14) 0.078(7) Uani 1 1 d U
H7 H -0.0249 -0.2307 -0.4724 0.094 Uiso 1 1 calc R
C8 C -0.4002(19) -0.223(2) -0.6622(11) 0.067(8) Uani 1 1 d .
H8A H -0.4330 -0.2878 -0.6544 0.080 Uiso 1 1 calc R
H8B H -0.4500 -0.2151 -0.6883 0.080 Uiso 1 1 calc R
C9 C -0.296(2) -0.081(2) -0.5205(13) 0.064(4) Uani 1 1 d .
H9 H -0.2641 -0.0854 -0.4874 0.077 Uiso 1 1 calc R
C10 C -0.312(2) -0.004(2) -0.5246(13) 0.064(4) Uani 1 1 d .
H10 H -0.2955 0.0422 -0.4936 0.077 Uiso 1 1 calc R
C11 C -0.303(2) -0.236(2) -0.5538(13) 0.077(9) Uani 1 1 d U
H11A H -0.3376 -0.2679 -0.5281 0.092 Uiso 1 1 calc R
H11B H -0.3293 -0.2845 -0.5870 0.092 Uiso 1 1 calc R
C12 C 0.848(2) 0.0854(18) -0.8995(10) 0.053(7) Uani 1 1 d U
H12 H 0.9129 0.1154 -0.8764 0.064 Uiso 1 1 calc R
C13 C -0.350(2) 0.012(2) -0.5698(13) 0.064(4) Uani 1 1 d .
H13 H -0.3541 0.0708 -0.5704 0.077 Uiso 1 1 calc R
C14 C 0.5196(18) -0.212(2) -0.8281(10) 0.053(7) Uani 1 1 d U
H14 H 0.4988 -0.2043 -0.7972 0.064 Uiso 1 1 calc R
C15 C 0.5404(18) -0.2950(19) -0.8410(10) 0.054(7) Uani 1 1 d U
H15 H 0.5285 -0.3438 -0.8209 0.065 Uiso 1 1 calc R
C16 C 0.1725(17) -0.3562(16) -0.7312(10) 0.044(6) Uani 1 1 d U
H16 H 0.1985 -0.3093 -0.7516 0.053 Uiso 1 1 calc R
C17 C 0.5304(14) -0.1444(16) -0.8616(9) 0.040(6) Uani 1 1 d .
H17 H 0.5135 -0.0938 -0.8540 0.048 Uiso 1 1 calc R
C18 C 0.0751(17) -0.4191(16) -0.7366(10) 0.044(6) Uani 1 1 d .
H18 H 0.0209 -0.4244 -0.7628 0.052 Uiso 1 1 calc R
C19 C 0.2037(18) -0.2678(18) -0.5478(10) 0.048(5) Uani 1 1 d U
H19 H 0.2270 -0.2887 -0.5183 0.058 Uiso 1 1 calc R
C20 C 0.6271(14) -0.2494(18) -0.9640(10) 0.045(6) Uani 1 1 d .
H20A H 0.6096 -0.3189 -0.9723 0.054 Uiso 1 1 calc R
H20B H 0.5941 -0.2340 -0.9948 0.054 Uiso 1 1 calc R
C21 C 0.7576(16) 0.0211(17) -0.8880(10) 0.048(7) Uani 1 1 d .
H21 H 0.7498 0.0012 -0.8559 0.057 Uiso 1 1 calc R
C22 C 0.1580(17) -0.4438(16) -0.6714(10) 0.039(6) Uani 1 1 d .
H22 H 0.1742 -0.4685 -0.6419 0.047 Uiso 1 1 calc R
C23 C 0.7280(17) 0.0403(15) -0.9701(9) 0.034(5) Uani 1 1 d .
H23 H 0.6929 0.0325 -1.0050 0.041 Uiso 1 1 calc R
C24 C 0.8394(17) 0.5717(16) -1.1330(10) 0.040(5) Uani 1 1 d U
H24 H 0.7925 0.5861 -1.1540 0.048 Uiso 1 1 calc R
C25 C 0.4233(18) -0.4331(18) -0.5604(11) 0.051(7) Uani 1 1 d .
H25 H 0.4335 -0.4883 -0.5577 0.061 Uiso 1 1 calc R
C26 C 0.4404(16) -0.3670(17) -0.5136(9) 0.041(6) Uani 1 1 d .
H26 H 0.4590 -0.3782 -0.4798 0.049 Uiso 1 1 calc R
C27 C 0.3908(14) -0.4170(16) -0.6117(10) 0.037(5) Uani 1 1 d .
H27 H 0.3826 -0.4604 -0.6420 0.045 Uiso 1 1 calc R
C28 C -0.324(2) -0.152(2) -0.5629(14) 0.064(4) Uani 1 1 d .
C29 C 0.9814(16) 0.6869(17) -0.9293(9) 0.042(6) Uani 1 1 d .
H29 H 1.0445 0.7099 -0.9055 0.050 Uiso 1 1 calc R
C30 C 0.9780(16) 0.5752(16) -1.0946(9) 0.038(6) Uani 1 1 d .
H30 H 1.0468 0.5925 -1.0841 0.046 Uiso 1 1 calc R
C31 C 0.3392(14) -0.3247(16) -0.6715(9) 0.035(5) Uani 1 1 d .
H31A H 0.3665 -0.3530 -0.6955 0.042 Uiso 1 1 calc R
H31B H 0.3654 -0.2550 -0.6721 0.042 Uiso 1 1 calc R
C32 C 0.5779(15) -0.0794(15) -0.9404(9) 0.036(5) Uani 1 1 d U
H32A H 0.5392 -0.0457 -0.9320 0.044 Uiso 1 1 calc R
H32B H 0.5500 -0.1126 -0.9777 0.044 Uiso 1 1 calc R
C33 C 0.7079(15) 0.3021(14) -1.0628(9) 0.032(5) Uani 1 1 d .
H33 H 0.7134 0.2813 -1.0964 0.039 Uiso 1 1 calc R
C34 C 0.5895(15) -0.2300(16) -0.9172(8) 0.031(5) Uani 1 1 d .
C35 C -0.365(2) -0.145(2) -0.6107(13) 0.064(4) Uani 1 1 d .
C36 C 0.4278(16) -0.2839(17) -0.5208(9) 0.046(6) Uani 1 1 d .
H36 H 0.4436 -0.2359 -0.4910 0.055 Uiso 1 1 calc R
C37 C 0.7002(15) 0.2403(15) -1.0271(9) 0.032(5) Uani 1 1 d U
H37 H 0.6759 0.1699 -1.0409 0.039 Uiso 1 1 calc R
C38 C 0.3684(16) -0.1818(14) -0.5716(10) 0.041(6) Uani 1 1 d .
H38A H 0.4064 -0.1334 -0.5385 0.049 Uiso 1 1 calc R
H38B H 0.3887 -0.1506 -0.6009 0.049 Uiso 1 1 calc R
C39 C 0.8085(14) -0.1822(15) -0.9092(8) 0.029(5) Uani 1 1 d .
H39 H 0.7967 -0.2111 -0.8798 0.035 Uiso 1 1 calc R
C40 C 0.3708(14) -0.3369(14) -0.6176(9) 0.029(5) Uani 1 1 d .
C41 C 0.1107(16) -0.2852(17) -0.5662(9) 0.035(4) Uani 1 1 d U
H41 H 0.0571 -0.3197 -0.5517 0.042 Uiso 1 1 calc R
C42 C 0.7107(16) 0.5238(15) -0.9832(9) 0.035(5) Uani 1 1 d .
H42A H 0.6714 0.5379 -1.0120 0.042 Uiso 1 1 calc R
H42B H 0.6816 0.5232 -0.9528 0.042 Uiso 1 1 calc R
C43 C 0.9070(15) 0.5115(16) -1.0744(10) 0.042(6) Uani 1 1 d .
H43 H 0.9163 0.4765 -1.0486 0.050 Uiso 1 1 calc R
C44 C 0.8894(17) 0.6122(15) -0.9257(9) 0.037(5) Uani 1 1 d .
H44 H 0.8796 0.5755 -0.8992 0.045 Uiso 1 1 calc R
C45 C 0.5787(14) -0.2964(16) -0.8849(9) 0.035(5) Uani 1 1 d .
H45 H 0.5982 -0.3450 -0.8930 0.042 Uiso 1 1 calc R
C46 C 0.5673(14) -0.1534(14) -0.9070(8) 0.027(4) Uani 1 1 d U
C47 C 0.1991(16) -0.2040(15) -0.6159(9) 0.037(5) Uani 1 1 d U
H47 H 0.2178 -0.1721 -0.6435 0.044 Uiso 1 1 calc R
C48 C 0.3927(14) -0.2698(15) -0.5709(10) 0.035(6) Uani 1 1 d .
C49 C 0.6931(15) 0.3612(15) -0.9628(9) 0.034(5) Uani 1 1 d .
H49 H 0.6631 0.3709 -0.9337 0.041 Uiso 1 1 calc R
C50 C 0.6895(15) 0.2697(14) -0.9769(9) 0.032(5) Uani 1 1 d U
H50 H 0.6448 0.2168 -0.9618 0.038 Uiso 1 1 calc R
C51 C 0.7892(15) -0.1367(13) -0.9880(9) 0.029(5) Uani 1 1 d U
H51 H 0.7583 -0.1315 -1.0211 0.034 Uiso 1 1 calc R
C52 C 0.7094(14) 0.4498(14) -1.0955(9) 0.030(5) Uani 1 1 d .
H52A H 0.6814 0.4942 -1.0872 0.036 Uiso 1 1 calc R
H52B H 0.6677 0.4056 -1.1295 0.036 Uiso 1 1 calc R
C53 C 0.8608(17) 0.6684(13) -0.9968(8) 0.030(5) Uani 1 1 d .
H53 H 0.8255 0.6761 -1.0278 0.035 Uiso 1 1 calc R
C54 C 0.9016(14) -0.1212(14) -0.9188(8) 0.028(4) Uani 1 1 d U
H54 H 0.9645 -0.1011 -0.8953 0.033 Uiso 1 1 calc R
C55 C 0.7081(13) 0.3913(13) -1.0528(8) 0.022(4) Uani 1 1 d U
C56 C 0.7029(13) 0.4235(13) -1.0006(8) 0.021(4) Uani 1 1 d .
N3 N -0.3163(16) -0.2149(18) -0.6853(10) 0.099(6) Uani 1 1 d GU
C2 C -0.2597(19) -0.2616(17) -0.6667(10) 0.103(7) Uani 1 1 d GU
H2A H -0.2724 -0.3022 -0.6420 0.124 Uiso 1 1 calc R
N2 N -0.1807(17) -0.2372(19) -0.6914(11) 0.108(6) Uani 1 1 d GU
C3 C -0.1886(18) -0.1754(19) -0.7253(11) 0.106(7) Uani 1 1 d GU
H3A H -0.1453 -0.1480 -0.7468 0.127 Uiso 1 1 calc R
C1 C -0.272(2) -0.1616(19) -0.7215(11) 0.111(7) Uani 1 1 d GU
H1A H -0.2951 -0.1234 -0.7400 0.133 Uiso 1 1 calc R
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'
H H 0.0000 0.0000 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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
C30 Na1 C50 167.7(8) 2_763 .
C30 Na1 O60 88.1(7) 2_763 .
C50 Na1 O60 94.8(7) . .
C30 Na1 C49 137.4(9) 2_763 .
C50 Na1 C49 31.1(6) . .
O60 Na1 C49 88.3(6) . .
C30 Na1 C37 148.2(8) 2_763 .
C50 Na1 C37 30.8(7) . .
O60 Na1 C37 123.7(6) . .
C49 Na1 C37 53.1(7) . .
C30 Na1 N6 24.1(6) 2_763 2_763
C50 Na1 N6 165.8(7) . 2_763
O60 Na1 N6 72.8(5) . 2_763
C49 Na1 N6 150.1(7) . 2_763
C37 Na1 N6 156.5(7) . 2_763
C30 Na1 Ag3 81.7(7) 2_763 .
C50 Na1 Ag3 107.3(6) . .
O60 Na1 Ag3 117.2(4) . .
C49 Na1 Ag3 136.1(6) . .
C37 Na1 Ag3 83.3(5) . .
N6 Na1 Ag3 73.8(4) 2_763 .
C30 Na1 Ag1 59.5(6) 2_763 .
C50 Na1 Ag1 129.4(6) . .
O60 Na1 Ag1 43.7(3) . .
C49 Na1 Ag1 132.0(6) . .
C37 Na1 Ag1 143.7(5) . .
N6 Na1 Ag1 36.5(4) 2_763 .
Ag3 Na1 Ag1 79.72(18) . .
O61 W1 O49 96.0(6) . .
O61 W1 O42 100.1(6) . .
O49 W1 O42 91.4(5) . .
O61 W1 O16 102.9(6) . .
O49 W1 O16 86.4(5) . .
O42 W1 O16 157.0(6) . .
O61 W1 O19 98.2(6) . .
O49 W1 O19 165.1(5) . .
O42 W1 O19 90.5(5) . .
O16 W1 O19 86.1(5) . .
O61 W1 O48 174.1(5) . .
O49 W1 O48 84.1(5) . .
O42 W1 O48 74.0(5) . .
O16 W1 O48 83.0(5) . .
O19 W1 O48 82.2(4) . .
O58 W2 O52 99.6(6) . .
O58 W2 O33 102.3(5) . .
O52 W2 O33 88.0(5) . .
O58 W2 O36 100.2(6) . .
O52 W2 O36 92.5(5) . .
O33 W2 O36 157.0(5) . .
O58 W2 O18 96.5(6) . .
O52 W2 O18 163.6(5) . .
O33 W2 O18 85.5(5) . .
O36 W2 O18 87.8(5) . .
O58 W2 O9 173.0(5) . .
O52 W2 O9 84.2(5) . .
O33 W2 O9 83.6(5) . .
O36 W2 O9 73.6(5) . .
O18 W2 O9 80.1(5) . .
O53 W3 O18 100.1(6) . .
O53 W3 O50 101.4(6) . .
O18 W3 O50 90.8(5) . .
O53 W3 O42 100.4(6) . .
O18 W3 O42 91.9(5) . .
O50 W3 O42 157.2(5) . .
O53 W3 O4 96.1(5) . .
O18 W3 O4 163.7(5) . .
O50 W3 O4 84.5(5) . .
O42 W3 O4 86.6(5) . .
O53 W3 O48 173.0(5) . .
O18 W3 O48 83.9(5) . .
O50 W3 O48 84.2(5) . .
O42 W3 O48 73.6(5) . .
O4 W3 O48 80.2(4) . .
O26 W4 O10 102.2(6) . .
O26 W4 O32 101.2(6) . .
O10 W4 O32 85.2(5) . .
O26 W4 O28 100.7(6) . .
O10 W4 O28 157.0(5) . .
O32 W4 O28 91.2(5) . .
O26 W4 O5 101.7(6) . .
O10 W4 O5 87.3(6) . .
O32 W4 O5 157.0(5) . .
O28 W4 O5 87.3(6) . .
O26 W4 O35 171.9(6) . .
O10 W4 O35 83.7(5) . .
O32 W4 O35 84.6(5) . .
O28 W4 O35 73.4(5) . .
O5 W4 O35 72.9(5) . .
O57 W5 O23 101.6(6) . .
O57 W5 O39 100.3(6) . .
O23 W5 O39 90.7(6) . .
O57 W5 O6 102.1(6) . .
O23 W5 O6 86.7(6) . .
O39 W5 O6 157.5(5) . .
O57 W5 O7 100.9(6) . .
O23 W5 O7 157.5(6) . .
O39 W5 O7 86.2(5) . .
O6 W5 O7 87.7(5) . .
O57 W5 O25 171.2(6) . .
O23 W5 O25 84.7(5) . .
O39 W5 O25 73.3(4) . .
O6 W5 O25 84.2(5) . .
O7 W5 O25 73.0(5) . .
O12 W6 O27 103.2(6) . .
O12 W6 O17 100.6(6) . .
O27 W6 O17 156.2(5) . .
O12 W6 O45 97.2(5) . .
O27 W6 O45 87.0(5) . .
O17 W6 O45 90.1(5) . .
O12 W6 O46 97.6(6) . .
O27 W6 O46 86.7(5) . .
O17 W6 O46 90.1(5) . .
O45 W6 O46 164.9(5) . .
O12 W6 O31 172.4(6) . .
O27 W6 O31 84.4(5) . .
O17 W6 O31 71.8(5) . .
O45 W6 O31 82.5(4) . .
O46 W6 O31 83.2(5) . .
O55 W7 O37 101.3(6) . .
O55 W7 O41 97.8(6) . .
O37 W7 O41 89.9(5) . .
O55 W7 O10 98.7(6) . .
O37 W7 O10 91.1(5) . .
O41 W7 O10 162.9(5) . .
O55 W7 O30 101.8(6) . .
O37 W7 O30 156.9(5) . .
O41 W7 O30 86.4(5) . .
O10 W7 O30 85.9(5) . .
O55 W7 O56 173.8(6) . .
O37 W7 O56 72.5(5) . .
O41 W7 O56 81.5(5) . .
O10 W7 O56 82.5(5) . .
O30 W7 O56 84.3(5) . .
O54 W8 O15 103.1(6) . .
O54 W8 O7 102.4(6) . .
O15 W8 O7 92.7(5) . .
O54 W8 O2 100.5(6) . .
O15 W8 O2 155.8(5) . .
O7 W8 O2 87.0(6) . .
O54 W8 O52 102.2(6) . .
O15 W8 O52 83.7(5) . .
O7 W8 O52 155.3(5) . .
O2 W8 O52 86.5(5) . .
O54 W8 O25 171.1(5) . .
O15 W8 O25 84.5(5) . .
O7 W8 O25 72.3(5) . .
O2 W8 O25 72.4(4) . .
O52 W8 O25 83.0(4) . .
O20 W9 O34 99.9(6) . .
O20 W9 O50 102.0(6) . .
O34 W9 O50 158.1(5) . .
O20 W9 O11 97.5(6) . .
O34 W9 O11 89.2(5) . .
O50 W9 O11 86.7(5) . .
O20 W9 O3 99.3(6) . .
O34 W9 O3 90.3(5) . .
O50 W9 O3 87.4(5) . .
O11 W9 O3 163.0(5) . .
O20 W9 O62 173.3(6) . .
O34 W9 O62 73.4(5) . .
O50 W9 O62 84.7(5) . .
O11 W9 O62 82.6(5) . .
O3 W9 O62 81.1(5) . .
O29 W10 O13 98.4(6) . .
O29 W10 O51 101.3(6) . .
O13 W10 O51 87.2(5) . .
O29 W10 O24 101.1(6) . .
O13 W10 O24 91.0(6) . .
O51 W10 O24 157.5(5) . .
O29 W10 O6 97.5(6) . .
O13 W10 O6 163.7(6) . .
O51 W10 O6 86.2(5) . .
O24 W10 O6 89.5(5) . .
O29 W10 O14 173.7(5) . .
O13 W10 O14 83.0(5) . .
O51 W10 O14 84.9(5) . .
O24 W10 O14 72.6(5) . .
O6 W10 O14 81.6(5) . .
O1 W11 O16 104.3(6) . .
O1 W11 O46 99.1(6) . .
O16 W11 O46 90.5(5) . .
O1 W11 O37 99.3(6) . .
O16 W11 O37 155.7(6) . .
O46 W11 O37 91.1(5) . .
O1 W11 O22 95.0(5) . .
O16 W11 O22 84.5(5) . .
O46 W11 O22 165.8(5) . .
O37 W11 O22 88.1(5) . .
O1 W11 O56 172.0(5) . .
O16 W11 O56 82.7(5) . .
O46 W11 O56 84.5(5) . .
O37 W11 O56 73.4(5) . .
O22 W11 O56 81.8(4) . .
O47 W12 O3 98.4(6) . .
O47 W12 O33 103.0(6) . .
O3 W12 O33 90.3(5) . .
O47 W12 O24 99.4(6) . .
O3 W12 O24 89.0(6) . .
O33 W12 O24 157.5(5) . .
O47 W12 O15 97.9(6) . .
O3 W12 O15 163.7(5) . .
O33 W12 O15 85.0(5) . .
O24 W12 O15 89.3(5) . .
O47 W12 O14 172.2(6) . .
O3 W12 O14 82.0(5) . .
O33 W12 O14 84.8(5) . .
O24 W12 O14 72.9(5) . .
O15 W12 O14 82.0(5) . .
O44 W13 O30 102.6(6) . .
O44 W13 O13 98.3(6) . .
O30 W13 O13 88.9(5) . .
O44 W13 O32 96.7(5) . .
O30 W13 O32 86.7(5) . .
O13 W13 O32 165.0(6) . .
O44 W13 O34 99.1(6) . .
O30 W13 O34 158.0(5) . .
O13 W13 O34 91.5(5) . .
O32 W13 O34 87.2(5) . .
O44 W13 O62 171.7(5) . .
O30 W13 O62 85.6(5) . .
O13 W13 O62 83.0(5) . .
O32 W13 O62 82.4(5) . .
O34 W13 O62 72.6(4) . .
O40 W14 O19 99.1(6) . .
O40 W14 O27 102.3(6) . .
O19 W14 O27 90.0(5) . .
O40 W14 O36 98.7(6) . .
O19 W14 O36 91.1(5) . .
O27 W14 O36 158.5(6) . .
O40 W14 O8 96.6(6) . .
O19 W14 O8 164.3(5) . .
O27 W14 O8 85.8(5) . .
O36 W14 O8 87.4(5) . .
O40 W14 O9 171.8(6) . .
O19 W14 O9 83.3(4) . .
O27 W14 O9 85.4(5) . .
O36 W14 O9 73.4(5) . .
O8 W14 O9 81.3(5) . .
O60 W15 O8 102.0(6) . .
O60 W15 O2 99.2(6) . .
O8 W15 O2 91.8(5) . .
O60 W15 O45 102.3(6) . .
O8 W15 O45 86.5(5) . .
O2 W15 O45 158.3(5) . .
O60 W15 O39 101.0(6) . .
O8 W15 O39 156.8(5) . .
O2 W15 O39 87.2(5) . .
O45 W15 O39 86.0(5) . .
O60 W15 O25 170.3(5) . .
O8 W15 O25 85.1(5) . .
O2 W15 O25 73.7(5) . .
O45 W15 O25 84.5(4) . .
O39 W15 O25 72.4(5) . .
O43 W16 O4 102.9(6) . .
O43 W16 O11 100.8(6) . .
O4 W16 O11 86.6(5) . .
O43 W16 O21 100.5(6) . .
O4 W16 O21 92.4(5) . .
O11 W16 O21 158.4(5) . .
O43 W16 O28 98.0(6) . .
O4 W16 O28 158.8(5) . .
O11 W16 O28 86.4(5) . .
O21 W16 O28 86.9(5) . .
O43 W16 O35 170.1(5) . .
O4 W16 O35 85.9(5) . .
O11 W16 O35 84.0(5) . .
O21 W16 O35 74.4(5) . .
O28 W16 O35 73.5(4) . .
O38 W17 O41 99.7(6) . .
O38 W17 O17 99.8(6) . .
O41 W17 O17 91.2(5) . .
O38 W17 O51 101.8(7) . .
O41 W17 O51 90.6(5) . .
O17 W17 O51 157.7(5) . .
O38 W17 O23 97.2(6) . .
O41 W17 O23 163.1(5) . .
O17 W17 O23 86.9(6) . .
O51 W17 O23 84.9(5) . .
O38 W17 O31 172.0(6) . .
O41 W17 O31 83.4(5) . .
O17 W17 O31 72.7(5) . .
O51 W17 O31 85.5(5) . .
O23 W17 O31 80.0(5) . .
O59 W18 O22 101.8(6) . .
O59 W18 O5 103.5(7) . .
O22 W18 O5 91.9(5) . .
O59 W18 O49 100.6(6) . .
O22 W18 O49 84.9(5) . .
O5 W18 O49 155.9(6) . .
O59 W18 O21 101.4(6) . .
O22 W18 O21 156.5(5) . .
O5 W18 O21 86.2(5) . .
O49 W18 O21 87.4(5) . .
O59 W18 O35 172.0(6) . .
O22 W18 O35 85.1(5) . .
O5 W18 O35 71.9(5) . .
O49 W18 O35 84.0(5) . .
O21 W18 O35 72.0(5) . .
N6 Ag1 OW1 172.9(7) 2_763 .
N6 Ag1 O60 91.2(6) 2_763 .
OW1 Ag1 O60 84.3(5) . .
N6 Ag1 Na1 55.5(5) 2_763 .
OW1 Ag1 Na1 123.2(5) . .
O60 Ag1 Na1 46.2(3) . .
N8 Ag2 N2 171.0(8) . .
N8 Ag2 O5 86.4(6) . .
N2 Ag2 O5 95.6(7) . .
N12 Ag3 N11 174.2(7) 2_763 .
N12 Ag3 Na1 98.3(5) 2_763 .
N11 Ag3 Na1 76.0(5) . .
N12 Ag3 Ag4 98.2(5) 2_763 .
N11 Ag3 Ag4 87.5(4) . .
Na1 Ag3 Ag4 159.91(15) . .
N14 Ag4 N14 180.0(8) 2_753 .
N14 Ag4 Ag3 84.0(4) 2_753 .
N14 Ag4 Ag3 96.0(4) . .
N14 Ag4 Ag3 96.0(4) 2_753 2_753
N14 Ag4 Ag3 84.0(4) . 2_753
Ag3 Ag4 Ag3 180.000(1) . 2_753
O9 P1 O14 110.7(7) . .
O9 P1 O31 112.4(7) . .
O14 P1 O31 112.2(7) . .
O9 P1 O25 108.8(7) . .
O14 P1 O25 105.7(7) . .
O31 P1 O25 106.7(6) . .
O56 P2 O48 111.4(7) . .
O56 P2 O62 113.0(7) . .
O48 P2 O62 111.4(7) . .
O56 P2 O35 107.4(7) . .
O48 P2 O35 106.8(7) . .
O62 P2 O35 106.4(7) . .
W15 O2 W8 123.5(6) . .
W12 O3 W9 161.0(8) . .
W16 O4 W3 151.5(7) . .
W4 O5 W18 125.1(6) . .
W4 O5 Ag2 110.7(6) . .
W18 O5 Ag2 122.8(7) . .
W10 O6 W5 149.7(7) . .
W8 O7 W5 123.6(7) . .
W15 O8 W14 151.9(7) . .
P1 O9 W14 126.7(7) . .
P1 O9 W2 127.0(7) . .
W14 O9 W2 90.4(5) . .
W4 O10 W7 151.3(7) . .
W16 O11 W9 149.1(7) . .
W10 O13 W13 163.3(8) . .
P1 O14 W12 128.8(7) . .
P1 O14 W10 128.0(7) . .
W12 O14 W10 90.9(4) . .
W8 O15 W12 153.4(8) . .
W11 O16 W1 152.9(7) . .
W17 O17 W6 124.2(6) . .
W3 O18 W2 162.3(8) . .
W14 O19 W1 163.3(7) . .
W16 O21 W18 123.3(6) . .
W18 O22 W11 152.2(7) . .
W5 O23 W17 151.8(8) . .
W10 O24 W12 123.3(6) . .
P1 O25 W5 124.6(6) . .
P1 O25 W15 123.7(6) . .
W5 O25 W15 91.8(4) . .
P1 O25 W8 125.2(6) . .
W5 O25 W8 91.0(4) . .
W15 O25 W8 90.4(4) . .
W14 O27 W6 151.2(7) . .
W4 O28 W16 122.1(6) . .
W13 O30 W7 150.1(7) . .
P1 O31 W17 128.8(7) . .
P1 O31 W6 127.5(7) . .
W17 O31 W6 91.1(4) . .
W4 O32 W13 151.2(7) . .
W2 O33 W12 149.7(7) . .
W9 O34 W13 122.6(6) . .
P2 O35 W16 125.2(6) . .
P2 O35 W4 125.2(7) . .
W16 O35 W4 91.0(4) . .
P2 O35 W18 124.4(6) . .
W16 O35 W18 90.3(4) . .
W4 O35 W18 90.0(4) . .
W2 O36 W14 122.6(7) . .
W11 O37 W7 123.9(6) . .
W5 O39 W15 122.5(6) . .
W17 O41 W7 162.8(8) . .
W1 O42 W3 122.0(7) . .
W6 O45 W15 148.8(6) . .
W11 O46 W6 161.9(7) . .
P2 O48 W3 129.7(7) . .
P2 O48 W1 127.4(7) . .
W3 O48 W1 90.0(4) . .
W1 O49 W18 149.7(7) . .
W3 O50 W9 151.8(7) . .
W17 O51 W10 152.1(7) . .
W2 O52 W8 151.1(7) . .
P2 O56 W11 129.8(7) . .
P2 O56 W7 126.8(7) . .
W11 O56 W7 90.0(4) . .
W15 O60 Ag1 135.4(7) . .
W15 O60 Na1 134.4(7) . .
Ag1 O60 Na1 90.1(5) . .
P2 O62 W9 128.0(7) . .
P2 O62 W13 127.6(7) . .
W9 O62 W13 91.0(4) . .
C4 N1 C6 107(3) . .
C4 N1 C11 130(3) . .
C6 N1 C11 122(3) . .
C4 N4 C7 93(2) . .
C22 N5 C18 106.8(19) . .
C30 N6 C24 106.1(18) . .
C30 N6 Ag1 127.0(14) . 2_763
C24 N6 Ag1 126.8(15) . 2_763
C30 N6 Na1 42.3(11) . 2_763
C24 N6 Na1 143.3(15) . 2_763
Ag1 N6 Na1 88.1(6) 2_763 2_763
C22 N7 C16 107.2(18) . .
C22 N7 C31 128.9(19) . .
C16 N7 C31 123.8(17) . .
C41 N8 C47 104.8(19) . .
C41 N8 Ag2 125.8(14) . .
C47 N8 Ag2 129.3(15) . .
C21 N9 C23 109.5(18) . .
C21 N9 C32 124.6(17) . .
C23 N9 C32 125.8(18) . .
C47 N10 C19 106.1(19) . .
C47 N10 C38 126.4(19) . .
C19 N10 C38 127(2) . .
C23 N11 C12 109.1(18) . .
C23 N11 Ag3 128.7(14) . .
C12 N11 Ag3 122.0(15) . .
C53 N12 C29 105.6(17) . .
C53 N12 Ag3 126.9(14) . 2_763
C29 N12 Ag3 126.9(14) . 2_763
C53 N13 C44 108.9(18) . .
C53 N13 C42 126.2(19) . .
C44 N13 C42 124.4(17) . .
C51 N14 C54 107.2(15) . .
C51 N14 Ag4 124.5(14) . .
C54 N14 Ag4 128.2(13) . .
C39 N15 C51 109.9(16) . .
C39 N15 C20 125.2(17) . .
C51 N15 C20 124.7(18) . .
C24 N16 C43 107.5(17) . .
C24 N16 C52 120.8(17) . .
C43 N16 C52 131.6(16) . .
N1 C4 N4 116(3) . .
C35 C5 C13 109(3) . .
C7 C6 N1 106(3) . .
C6 C7 N4 117(3) . .
N3 C8 C35 113(2) . .
C10 C9 C28 121(3) . .
C13 C10 C9 124(3) . .
N1 C11 C28 113(3) . .
N11 C12 C21 107(2) . .
C10 C13 C5 122(3) . .
C17 C14 C15 121(2) . .
C45 C15 C14 116(2) . .
N7 C16 C18 105(2) . .
C14 C17 C46 120(2) . .
N5 C18 C16 110(2) . .
C41 C19 N10 109(2) . .
N15 C20 C34 111.3(19) . .
N9 C21 C12 105(2) . .
N5 C22 N7 110(2) . .
N11 C23 N9 109.1(19) . .
N6 C24 N16 110(2) . .
C26 C25 C27 121(2) . .
C36 C26 C25 116(2) . .
C40 C27 C25 121(2) . .
C35 C28 C9 120(3) . .
C35 C28 C11 123(3) . .
C9 C28 C11 117(3) . .
C44 C29 N12 106.7(18) . .
N6 C30 C43 111(2) . .
N6 C30 Na1 113.6(15) . 2_763
C43 C30 Na1 131.1(17) . 2_763
C40 C31 N7 109.9(15) . .
C46 C32 N9 112.2(15) . .
C55 C33 C37 125(2) . .
C45 C34 C46 122(2) . .
C45 C34 C20 114(2) . .
C46 C34 C20 124(2) . .
C28 C35 C5 124(3) . .
C28 C35 C8 124(3) . .
C5 C35 C8 111(3) . .
C48 C36 C26 123(2) . .
C33 C37 C50 117.9(19) . .
C33 C37 Na1 109.8(14) . .
C50 C37 Na1 56.8(12) . .
N10 C38 C48 110.3(15) . .
N15 C39 C54 103.2(17) . .
C48 C40 C27 117(2) . .
C48 C40 C31 125.1(19) . .
C27 C40 C31 118(2) . .
C19 C41 N8 110(2) . .
N13 C42 C56 112.3(15) . .
C30 C43 N16 105.4(19) . .
N13 C44 C29 106.9(19) . .
C34 C45 C15 123(2) . .
C34 C46 C17 118.2(19) . .
C34 C46 C32 125(2) . .
C17 C46 C32 117.2(19) . .
N10 C47 N8 109.8(19) . .
C36 C48 C40 122(2) . .
C36 C48 C38 116(2) . .
C40 C48 C38 122(2) . .
C50 C49 C56 120(2) . .
C50 C49 Na1 58.0(11) . .
C56 C49 Na1 110.1(12) . .
C49 C50 C37 120.4(19) . .
C49 C50 Na1 90.9(13) . .
C37 C50 Na1 92.4(14) . .
N14 C51 N15 108.3(18) . .
C55 C52 N16 109.8(15) . .
N12 C53 N13 111.9(18) . .
N14 C54 C39 111.4(17) . .
C33 C55 C56 116.6(17) . .
C33 C55 C52 121.2(19) . .
C56 C55 C52 122.1(16) . .
C55 C56 C49 119.9(17) . .
C55 C56 C42 121.9(16) . .
C49 C56 C42 118.2(18) . .
C2 N3 C1 108.0 . .
C2 N3 C8 119(2) . .
C1 N3 C8 133(2) . .
N3 C2 N2 108.0 . .
C2 N2 C3 108.0 . .
C2 N2 Ag2 121.7(15) . .
C3 N2 Ag2 126.1(16) . .
C1 C3 N2 108.0 . .
C3 C1 N3 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Na1 C30 2.18(2) 2_763
Na1 C50 2.28(2) .
Na1 O60 2.598(16) .
Na1 C49 2.69(2) .
Na1 C37 2.73(2) .
Na1 N6 2.97(2) 2_763
Na1 Ag3 3.252(9) .
Na1 Ag1 3.598(8) .
W1 O61 1.715(13) .
W1 O49 1.888(12) .
W1 O42 1.901(12) .
W1 O16 1.906(12) .
W1 O19 1.916(11) .
W1 O48 2.374(13) .
W2 O58 1.710(12) .
W2 O52 1.880(11) .
W2 O33 1.892(12) .
W2 O36 1.909(13) .
W2 O18 1.943(13) .
W2 O9 2.370(13) .
W3 O53 1.706(13) .
W3 O18 1.857(13) .
W3 O50 1.898(12) .
W3 O42 1.935(13) .
W3 O4 1.976(12) .
W3 O48 2.370(11) .
W4 O26 1.706(13) .
W4 O10 1.890(12) .
W4 O32 1.893(12) .
W4 O28 1.905(13) .
W4 O5 1.904(15) .
W4 O35 2.388(11) .
W5 O57 1.695(15) .
W5 O23 1.883(12) .
W5 O39 1.912(13) .
W5 O6 1.915(13) .
W5 O7 1.942(14) .
W5 O25 2.338(12) .
W6 O12 1.742(13) .
W6 O27 1.904(14) .
W6 O17 1.909(12) .
W6 O45 1.924(12) .
W6 O46 1.924(12) .
W6 O31 2.359(12) .
W7 O55 1.708(13) .
W7 O37 1.907(13) .
W7 O41 1.907(11) .
W7 O10 1.934(11) .
W7 O30 1.942(12) .
W7 O56 2.393(12) .
W8 O54 1.687(12) .
W8 O15 1.884(12) .
W8 O7 1.894(14) .
W8 O2 1.929(13) .
W8 O52 1.936(12) .
W8 O25 2.399(11) .
W9 O20 1.691(13) .
W9 O34 1.895(13) .
W9 O50 1.898(12) .
W9 O11 1.931(13) .
W9 O3 1.941(12) .
W9 O62 2.348(11) .
W10 O29 1.687(14) .
W10 O13 1.890(12) .
W10 O51 1.902(12) .
W10 O24 1.906(12) .
W10 O6 1.907(12) .
W10 O14 2.362(12) .
W11 O1 1.704(13) .
W11 O16 1.875(12) .
W11 O46 1.875(12) .
W11 O37 1.903(13) .
W11 O22 1.946(12) .
W11 O56 2.362(13) .
W12 O47 1.700(12) .
W12 O3 1.858(12) .
W12 O33 1.902(13) .
W12 O24 1.909(14) .
W12 O15 1.936(11) .
W12 O14 2.350(12) .
W13 O44 1.707(13) .
W13 O30 1.854(12) .
W13 O13 1.898(12) .
W13 O32 1.923(12) .
W13 O34 1.932(12) .
W13 O62 2.357(12) .
W14 O40 1.710(14) .
W14 O19 1.870(11) .
W14 O27 1.894(12) .
W14 O36 1.926(12) .
W14 O8 1.946(13) .
W14 O9 2.370(13) .
W15 O60 1.703(13) .
W15 O8 1.871(14) .
W15 O2 1.904(12) .
W15 O45 1.935(12) .
W15 O39 1.937(13) .
W15 O25 2.360(11) .
W16 O43 1.733(13) .
W16 O4 1.854(12) .
W16 O11 1.902(14) .
W16 O21 1.899(14) .
W16 O28 1.956(13) .
W16 O35 2.347(12) .
W17 O38 1.715(14) .
W17 O41 1.881(11) .
W17 O17 1.885(13) .
W17 O51 1.889(13) .
W17 O23 1.932(12) .
W17 O31 2.337(12) .
W18 O59 1.685(14) .
W18 O22 1.882(12) .
W18 O5 1.924(14) .
W18 O49 1.937(12) .
W18 O21 1.941(12) .
W18 O35 2.416(12) .
Ag1 N6 2.139(18) 2_763
Ag1 OW1 2.274(19) .
Ag1 O60 2.486(14) .
Ag2 N8 2.19(2) .
Ag2 N2 2.32(2) .
Ag2 O5 2.596(12) .
Ag3 N12 2.087(18) 2_763
Ag3 N11 2.142(17) .
Ag3 Ag4 3.3462(17) .
Ag4 N14 2.107(15) 2_753
Ag4 N14 2.107(15) .
Ag4 Ag3 3.3462(17) 2_753
P1 O9 1.530(14) .
P1 O14 1.535(13) .
P1 O31 1.550(12) .
P1 O25 1.592(11) .
P2 O56 1.513(13) .
P2 O48 1.517(12) .
P2 O62 1.535(13) .
P2 O35 1.571(12) .
N1 C4 1.33(3) .
N1 C6 1.37(4) .
N1 C11 1.39(3) .
N4 C4 1.43(4) .
N4 C7 1.48(4) .
N5 C22 1.29(3) .
N5 C18 1.31(3) .
N6 C30 1.32(3) .
N6 C24 1.33(2) .
N6 Ag1 2.139(18) 2_763
N6 Na1 2.97(2) 2_763
N7 C22 1.32(2) .
N7 C16 1.34(3) .
N7 C31 1.51(2) .
N8 C41 1.33(3) .
N8 C47 1.36(3) .
N9 C21 1.31(3) .
N9 C23 1.36(2) .
N9 C32 1.50(2) .
N10 C47 1.31(3) .
N10 C19 1.34(3) .
N10 C38 1.44(3) .
N11 C23 1.28(3) .
N11 C12 1.35(3) .
N12 C53 1.32(3) .
N12 C29 1.41(3) .
N12 Ag3 2.087(18) 2_763
N13 C53 1.32(2) .
N13 C44 1.34(3) .
N13 C42 1.49(3) .
N14 C51 1.33(2) .
N14 C54 1.34(2) .
N15 C39 1.36(3) .
N15 C51 1.38(2) .
N15 C20 1.50(2) .
N16 C24 1.34(2) .
N16 C43 1.36(3) .
N16 C52 1.53(2) .
C5 C35 1.47(4) .
C5 C13 1.50(4) .
C6 C7 1.30(4) .
C8 N3 1.46(3) .
C8 C35 1.54(4) .
C9 C10 1.32(4) .
C9 C28 1.33(4) .
C10 C13 1.30(4) .
C11 C28 1.49(4) .
C12 C21 1.41(3) .
C14 C17 1.40(3) .
C14 C15 1.46(4) .
C15 C45 1.38(3) .
C16 C18 1.34(3) .
C17 C46 1.42(3) .
C19 C41 1.29(3) .
C20 C34 1.49(3) .
C25 C26 1.41(3) .
C25 C27 1.42(3) .
C26 C36 1.39(3) .
C27 C40 1.40(3) .
C28 C35 1.33(4) .
C29 C44 1.40(3) .
C30 C43 1.34(3) .
C30 Na1 2.18(2) 2_763
C31 C40 1.46(3) .
C32 C46 1.47(3) .
C33 C55 1.36(2) .
C33 C37 1.38(3) .
C34 C45 1.36(3) .
C34 C46 1.37(3) .
C36 C48 1.39(3) .
C37 C50 1.40(3) .
C38 C48 1.54(3) .
C39 C54 1.40(2) .
C40 C48 1.39(3) .
C42 C56 1.51(3) .
C49 C50 1.39(3) .
C49 C56 1.43(2) .
C52 C55 1.50(2) .
C55 C56 1.43(3) .
N3 C2 1.387(15) .
N3 C1 1.387(15) .
C2 N2 1.387(15) .
N2 C3 1.387(15) .
C3 C1 1.387(15) .
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 0.000 0.500 0.500 375 216 ' '
2 0.500 0.500 0.000 8 10 ' '
