#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:16:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179474 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/71/4337101.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_4337101
loop_
_publ_author_name
'Liang, Min-Xia'
'Ruan, Chan-Zi'
'Sun, Di'
'Kong, Xiang-Jian'
'Ren, Yan-Ping'
'Long, La-Sheng'
'Huang, Rong-Bin'
'Zheng, Lan-Sun'
_publ_section_title
;
 Solvothermal Synthesis of Four Polyoxometalate-Based Coordination
 Polymers Including Diverse Ag(I)···π Interactions.
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              897
_journal_page_last               902
_journal_paper_doi               10.1021/ic4022596
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C70 H50 Ag20 N40 O117 P5 W30'
_chemical_formula_weight         11151.25
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.73(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.927(5)
_cell_length_b                   22.684(5)
_cell_length_c                   33.277(7)
_cell_measurement_temperature    173(2)
_cell_volume                     17001(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_av_sigmaI/netI    0.0555
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            58033
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    22.602
_exptl_absorpt_correction_T_max  0.2650
_exptl_absorpt_correction_T_min  0.2109
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    4.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             19684
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.870
_refine_diff_density_min         -2.202
_refine_diff_density_rms         0.413
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.739
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1277
_refine_ls_number_reflns         14538
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.739
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0577
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1900P)²+810.3227P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1706
_refine_ls_wR_factor_ref         0.1865
_reflns_number_gt                12002
_reflns_number_total             14538
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4022596_si_002.cif
_cod_data_source_block           P4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        17001(6)
_cod_original_sg_symbol_H-M      C2/C
_cod_database_code               4337101
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
W1 W 0.35066(3) 0.65176(3) -0.23099(2) 0.03381(18) Uani 1 1 d .
W2 W 0.43076(3) 0.92244(3) -0.11690(2) 0.03779(19) Uani 1 1 d .
W3 W 0.34903(3) 0.90060(3) -0.28605(2) 0.03518(18) Uani 1 1 d .
W4 W 0.43098(3) 0.76628(3) -0.08079(2) 0.03750(19) Uani 1 1 d .
W5 W 0.42664(3) 0.60930(3) -0.11715(2) 0.03778(19) Uani 1 1 d .
W6 W 0.65113(3) 0.64668(3) -0.15610(2) 0.03505(18) Uani 1 1 d .
W7 W 0.35381(3) 0.80677(3) -0.19265(2) 0.03440(18) Uani 1 1 d .
W8 W 0.57872(3) 0.92159(3) -0.08386(2) 0.0403(2) Uani 1 1 d .
W9 W 0.65564(3) 0.80362(3) -0.12164(2) 0.03524(18) Uani 1 1 d .
W10 W 0.42702(3) 1.01801(3) -0.21033(2) 0.03922(19) Uani 1 1 d .
W11 W 0.57807(3) 0.76474(4) -0.04656(2) 0.0410(2) Uani 1 1 d .
W12 W 0.42511(3) 1.01916(3) -0.32329(2) 0.0408(2) Uani 1 1 d .
W13 W 0.57321(3) 0.60507(4) -0.08197(2) 0.0409(2) Uani 1 1 d .
W14 W 0.42594(4) 0.50691(3) -0.21240(3) 0.0444(2) Uani 1 1 d .
W15 W 0.57424(3) 0.50519(3) -0.17369(3) 0.0445(2) Uani 1 1 d .
Ag1 Ag 0.54800(9) 0.83329(8) 0.16119(6) 0.0675(5) Uani 1 1 d .
Ag2 Ag 0.57170(11) 0.99603(9) 0.00650(7) 0.0728(6) Uani 1 1 d .
Ag3 Ag 0.43201(14) 1.23790(12) 0.23291(9) 0.0431(7) Uani 0.50 1 d P
Ag4 Ag 0.75320(8) 0.97505(7) 0.28001(5) 0.0545(4) Uani 1 1 d .
Ag5 Ag 0.7500 0.7500 0.0000 0.0527(5) Uani 1 2 d S
Ag6 Ag 0.70620(7) 0.89235(6) 0.18186(5) 0.0428(3) Uani 1 1 d .
Ag7 Ag 0.80341(7) 1.13152(6) 0.26580(4) 0.0447(3) Uani 1 1 d .
Ag8 Ag 0.81102(8) 0.69426(7) -0.08229(5) 0.0483(4) Uani 1 1 d .
Ag9 Ag 0.20806(8) 0.72010(8) -0.22423(5) 0.0568(4) Uani 1 1 d .
Ag10 Ag 0.82145(8) 0.84936(9) -0.03812(6) 0.0591(4) Uani 1 1 d .
Ag11 Ag 0.72131(7) 0.97442(7) 0.09359(5) 0.0472(4) Uani 1 1 d .
P1 P 0.5011(2) 0.6378(2) -0.18818(13) 0.0340(9) Uani 1 1 d .
P2 P 0.5044(2) 0.81033(19) -0.14882(14) 0.0330(9) Uani 1 1 d .
P3 P 0.5000 0.9157(3) -0.2500 0.0347(13) Uani 1 2 d S
O2 O 0.5053(5) 0.9479(5) -0.0764(4) 0.036(3) Uani 1 1 d .
O3 O 0.3797(6) 0.4509(5) -0.2100(4) 0.039(3) Uani 1 1 d .
O4 O 0.6264(5) 0.5675(6) -0.1723(4) 0.041(3) Uani 1 1 d .
O5 O 0.3761(6) 0.6401(5) -0.1693(4) 0.037(3) Uani 1 1 d .
O6 O 0.4340(6) 0.9815(5) -0.1570(4) 0.042(3) Uani 1 1 d .
O7 O 0.3832(5) 0.9579(5) -0.0960(4) 0.035(3) Uani 1 1 d .
O8 O 0.2757(6) 0.9221(5) -0.3006(4) 0.041(3) Uani 1 1 d .
O9 O 0.6319(5) 0.8767(5) -0.1018(4) 0.034(3) Uani 1 1 d .
O10 O 0.4451(5) 0.6689(5) -0.2179(4) 0.036(3) Uani 1 1 d .
O11 O 0.7310(6) 0.8065(6) -0.0907(4) 0.044(3) Uani 1 1 d .
O12 O 0.2766(5) 0.6344(5) -0.2387(3) 0.035(3) Uani 1 1 d .
O13 O 0.4488(5) 0.7993(5) -0.1864(3) 0.035(3) Uani 1 1 d .
O14 O 0.6204(6) 0.5740(5) -0.0364(4) 0.042(3) Uani 1 1 d .
O15 O 0.5012(5) 0.6383(5) -0.1412(4) 0.035(3) Uani 1 1 d .
O16 O 0.3783(5) 0.7673(5) -0.1386(4) 0.036(3) Uani 1 1 d .
O17 O 0.3806(6) 1.0746(6) -0.2087(4) 0.044(3) Uani 1 1 d .
O18 O 0.5588(5) 0.6666(5) -0.1896(3) 0.032(2) Uani 1 1 d .
O19 O 0.6280(5) 0.6359(5) -0.1080(4) 0.035(3) Uani 1 1 d .
O20 O 0.3749(5) 0.9597(5) -0.2401(3) 0.031(2) Uani 1 1 d .
O21 O 0.4994(5) 0.9567(5) -0.2879(3) 0.033(2) Uani 1 1 d .
O22 O 0.4329(5) 1.0414(5) -0.2661(4) 0.038(3) Uani 1 1 d .
O23 O 0.3765(6) 0.5781(5) -0.0965(4) 0.040(3) Uani 1 1 d .
O24 O 0.5002(5) 0.4643(5) -0.1849(4) 0.036(3) Uani 1 1 d .
O25 O 0.6239(6) 0.9600(6) -0.0401(4) 0.041(3) Uani 1 1 d .
O26 O 0.4999(5) 0.5720(5) -0.2019(3) 0.032(2) Uani 1 1 d .
O27 O 0.5049(5) 0.8757(5) -0.1347(3) 0.034(3) Uani 1 1 d .
O28 O 0.3449(6) 0.6613(5) -0.2876(3) 0.038(3) Uani 1 1 d .
O29 O 0.6276(6) 0.7575(6) 0.0047(4) 0.042(3) Uani 1 1 d .
O30 O 0.5057(6) 0.7615(6) -0.0348(4) 0.039(3) Uani 1 1 d .
O31 O 0.2788(5) 0.8065(6) -0.2007(4) 0.040(3) Uani 1 1 d .
O32 O 0.6214(6) 0.4488(6) -0.1505(4) 0.045(3) Uani 1 1 d .
O33 O 0.6301(5) 0.7674(5) -0.0785(4) 0.033(3) Uani 1 1 d .
O34 O 0.5682(5) 0.5366(5) -0.1205(4) 0.038(3) Uani 1 1 d .
O35 O 0.5610(5) 0.7993(5) -0.1598(4) 0.033(2) Uani 1 1 d .
O36 O 0.4337(6) 0.5376(5) -0.1522(4) 0.038(3) Uani 1 1 d .
O37 O 0.3752(6) 1.0746(6) -0.3480(4) 0.047(3) Uani 1 1 d .
O38 O 0.3761(6) 0.8784(6) -0.1629(4) 0.038(3) Uani 1 1 d .
O39 O 0.7266(6) 0.6297(6) -0.1327(4) 0.040(3) Uani 1 1 d .
O40 O 0.3823(7) 0.7624(6) -0.0528(4) 0.046(3) Uani 1 1 d .
O41 O 0.3497(5) 0.7324(5) -0.2213(4) 0.033(3) Uani 1 1 d .
O42 O 0.4990(5) 1.0582(5) -0.3179(4) 0.038(3) Uani 1 1 d .
O43 O 0.5053(5) 0.7705(5) -0.1105(3) 0.035(3) Uani 1 1 d .
O44 O 0.3728(6) 0.9586(5) -0.3191(4) 0.039(3) Uani 1 1 d .
O45 O 0.5007(6) 0.5803(5) -0.0765(3) 0.037(3) Uani 1 1 d .
O46 O 0.5697(5) 0.6807(5) -0.0592(4) 0.038(3) Uani 1 1 d .
O47 O 0.6586(6) 0.8439(5) -0.1707(4) 0.038(3) Uani 1 1 d .
O48 O 0.4286(5) 0.9804(5) -0.3734(4) 0.035(3) Uani 1 1 d .
O49 O 0.6558(5) 0.7298(5) -0.1471(4) 0.034(3) Uani 1 1 d .
O50 O 0.4366(5) 0.6822(5) -0.0900(4) 0.037(3) Uani 1 1 d .
O51 O 0.5755(6) 0.8497(6) -0.0503(4) 0.043(3) Uani 1 1 d .
O52 O 0.3752(5) 0.5698(5) -0.2317(4) 0.035(3) Uani 1 1 d .
O53 O 0.4323(5) 0.4921(5) -0.2669(4) 0.038(3) Uani 1 1 d .
O54 O 0.4345(6) 0.8497(5) -0.0862(4) 0.038(3) Uani 1 1 d .
O55 O 0.3491(6) 0.8428(5) -0.2458(4) 0.039(3) Uani 1 1 d .
O56 O 0.4432(5) 0.8773(5) -0.2634(4) 0.036(3) Uani 1 1 d .
O4W O 0.5000 0.8432(14) 0.2500 0.123(14) Uani 1 2 d S
O2W O 0.2718(6) 0.6896(7) -0.1506(5) 0.053(3) Uani 1 1 d .
O3W O 0.1334(9) 0.6620(10) -0.2154(7) 0.101(8) Uani 1 1 d .
O1W O 0.7432(10) 0.9327(8) 0.3369(5) 0.081(6) Uani 1 1 d .
N1 N 0.5387(11) 0.7458(9) 0.1838(7) 0.067(6) Uani 1 1 d .
N2 N 0.5609(12) 0.7326(9) 0.2260(7) 0.075(6) Uani 1 1 d .
N3 N 0.5544(9) 0.6770(9) 0.2309(6) 0.063(5) Uani 1 1 d .
N4 N 0.5231(8) 0.6539(7) 0.1933(5) 0.043(4) Uani 1 1 d .
N5 N 0.8245(8) 0.7363(6) -0.1382(5) 0.043(4) Uani 1 1 d .
N6 N 0.7738(8) 1.0693(7) 0.2147(5) 0.048(4) Uani 1 1 d .
N7 N 0.7586(8) 1.0163(8) 0.2213(5) 0.049(4) Uani 1 1 d .
N8 N 0.7417(7) 0.9840(7) 0.1860(5) 0.043(4) Uani 1 1 d .
N9 N 0.7456(7) 1.0193(7) 0.1549(5) 0.043(4) Uani 1 1 d .
N10 N 0.5655(7) 0.8841(8) 0.1107(5) 0.048(4) Uani 1 1 d .
N11 N 0.8243(7) 0.7976(7) -0.1885(5) 0.043(4) Uani 1 1 d .
N12 N 0.8057(8) 0.7438(7) -0.2061(5) 0.043(4) Uani 1 1 d .
N14 N 0.6230(8) 0.8939(7) 0.1159(6) 0.053(4) Uani 1 1 d .
N15 N 0.6257(7) 0.9194(7) 0.0822(5) 0.043(4) Uani 1 1 d .
N16 N 0.5720(7) 0.9288(7) 0.0538(5) 0.045(4) Uani 1 1 d .
N17 N 0.7271(7) 0.9217(7) 0.0410(5) 0.043(4) Uani 1 1 d .
N18 N 0.7193(7) 0.8621(7) 0.0391(5) 0.041(3) Uani 1 1 d .
N19 N 0.7380(7) 0.8399(6) 0.0098(5) 0.037(3) Uani 1 1 d .
N20 N 0.7604(7) 0.8833(7) -0.0088(5) 0.045(4) Uani 1 1 d .
N22 N 0.8066(8) 0.7082(7) -0.1760(6) 0.051(4) Uani 1 1 d .
C1 C 0.5141(10) 0.6979(10) 0.1640(7) 0.054(5) Uani 1 1 d .
C2 C 0.4837(11) 0.6872(9) 0.1165(7) 0.057(6) Uani 1 1 d .
C3 C 0.4812(11) 0.6330(12) 0.1009(7) 0.064(6) Uani 1 1 d .
H3A H 0.4957 0.6010 0.1200 0.077 Uiso 1 1 calc R
C4 C 0.4576(12) 0.6222(11) 0.0570(7) 0.066(6) Uani 1 1 d .
H4A H 0.4549 0.5833 0.0458 0.079 Uiso 1 1 calc R
C5 C 0.4377(12) 0.6726(12) 0.0293(8) 0.067(7) Uani 1 1 d .
H5A H 0.4225 0.6681 -0.0009 0.080 Uiso 1 1 calc R
C6 C 0.4411(14) 0.7252(13) 0.0472(7) 0.077(8) Uani 1 1 d .
H6A H 0.4262 0.7582 0.0291 0.093 Uiso 1 1 calc R
C7 C 0.4650(12) 0.7349(9) 0.0906(6) 0.055(6) Uani 1 1 d .
H7A H 0.4684 0.7736 0.1021 0.066 Uiso 1 1 calc R
C8 C 0.8358(8) 0.7933(9) -0.1478(5) 0.039(4) Uani 1 1 d .
C9 C 0.8598(10) 0.8393(9) -0.1150(6) 0.047(5) Uani 1 1 d .
C10 C 0.8485(11) 0.8971(10) -0.1274(7) 0.058(6) Uani 1 1 d .
H10A H 0.8315 0.9075 -0.1560 0.070 Uiso 1 1 d R
C11 C 0.8701(10) 0.9406(10) -0.0955(7) 0.054(5) Uani 1 1 d .
H11A H 0.8603 0.9797 -0.1034 0.065 Uiso 1 1 d R
C12 C 0.9043(12) 0.9248(11) -0.0532(7) 0.061(6) Uani 1 1 d .
H12A H 0.9186 0.9545 -0.0321 0.073 Uiso 1 1 calc R
C13 C 0.9162(9) 0.8697(10) -0.0433(7) 0.051(5) Uani 1 1 d .
H13A H 0.9521 0.8606 -0.0180 0.061 Uiso 1 1 calc R
C14 C 0.8940(8) 0.8247(9) -0.0742(6) 0.044(4) Uani 1 1 d .
H14A H 0.9137 0.7852 -0.0690 0.053 Uiso 1 1 calc R
C15 C 0.7675(8) 1.0693(8) 0.1732(6) 0.041(4) Uani 1 1 d .
C16 C 0.7819(9) 1.1245(9) 0.1526(6) 0.046(4) Uani 1 1 d .
C17 C 0.7449(9) 1.1374(9) 0.1122(7) 0.052(5) Uani 1 1 d .
H17A H 0.7119 1.1128 0.0983 0.063 Uiso 1 1 calc R
C18 C 0.8091(13) 1.2231(9) 0.1126(9) 0.067(7) Uani 1 1 d .
H18A H 0.8198 1.2554 0.0986 0.081 Uiso 1 1 calc R
C19 C 0.8428(10) 1.2088(11) 0.1531(8) 0.060(6) Uani 1 1 d .
H19A H 0.8756 1.2329 0.1683 0.072 Uiso 1 1 calc R
C20 C 0.8292(9) 1.1578(8) 0.1728(7) 0.045(4) Uani 1 1 d .
H20A H 0.8541 1.1472 0.2008 0.055 Uiso 1 1 calc R
C21 C 0.4465(11) 0.8976(9) 0.0073(7) 0.053(5) Uani 1 1 d .
H21A H 0.4714 0.8968 -0.0097 0.063 Uiso 1 1 calc R
C22 C 0.3829(9) 0.8945(8) -0.0116(6) 0.046(5) Uani 1 1 d .
H22A H 0.3648 0.8936 -0.0417 0.055 Uiso 1 1 calc R
C25 C 0.7567(11) 1.1888(12) 0.0910(7) 0.061(6) Uani 1 1 d .
H25A H 0.7307 1.1999 0.0635 0.073 Uiso 1 1 calc R
C26 C 0.5353(10) 0.9043(8) 0.0721(5) 0.044(4) Uani 1 1 d .
C27 C 0.4707(9) 0.9020(8) 0.0531(6) 0.042(4) Uani 1 1 d .
C28 C 0.3478(9) 0.8928(10) 0.0144(6) 0.049(5) Uani 1 1 d .
H28A H 0.3059 0.8916 0.0013 0.059 Uiso 1 1 calc R
C29 C 0.3701(10) 0.8927(9) 0.0554(8) 0.054(5) Uani 1 1 d .
H29A H 0.3449 0.8885 0.0719 0.064 Uiso 1 1 calc R
C30 C 0.4335(9) 0.8991(9) 0.0764(6) 0.042(4) Uani 1 1 d .
H30A H 0.4507 0.9056 0.1057 0.050 Uiso 1 1 d R
C31 C 0.8109(10) 1.0874(10) 0.0220(8) 0.056(5) Uani 1 1 d .
H31A H 0.8283 1.1145 0.0437 0.068 Uiso 1 1 d R
C32 C 0.8013(10) 1.1006(12) -0.0191(9) 0.065(7) Uani 1 1 d .
H32A H 0.8133 1.1381 -0.0259 0.078 Uiso 1 1 calc R
C33 C 0.7745(12) 1.0612(14) -0.0521(10) 0.077(8) Uani 1 1 d .
H33A H 0.7659 1.0727 -0.0810 0.093 Uiso 1 1 calc R
C35 C 0.7694(10) 0.9936(10) 0.0003(6) 0.050(5) Uani 1 1 d .
C36 C 0.7526(9) 0.9330(8) 0.0096(5) 0.042(4) Uani 1 1 d .
C37 C 0.7980(10) 1.0325(9) 0.0320(7) 0.054(5) Uani 1 1 d .
H37A H 0.8053 1.0232 0.0606 0.064 Uiso 1 1 d R
C39 C 0.7611(11) 1.0078(12) -0.0427(9) 0.068(6) Uani 1 1 d .
H39A H 0.7461 0.9792 -0.0645 0.081 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'
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
O12 W1 O28 98.8(5) . .
O12 W1 O41 100.2(5) . .
O28 W1 O41 93.4(5) . .
O12 W1 O5 93.7(5) . .
O28 W1 O5 166.9(5) . .
O41 W1 O5 88.2(5) . .
O12 W1 O52 94.5(5) . .
O28 W1 O52 91.1(5) . .
O41 W1 O52 163.8(5) . .
O5 W1 O52 84.0(5) . .
O12 W1 O10 176.0(5) . .
O28 W1 O10 84.3(5) . .
O41 W1 O10 82.1(5) . .
O5 W1 O10 83.1(5) . .
O52 W1 O10 82.9(5) . .
O7 W2 O6 98.2(5) . .
O7 W2 O2 99.1(5) . .
O6 W2 O2 91.9(5) . .
O7 W2 O38 101.5(5) . .
O6 W2 O38 89.2(5) . .
O2 W2 O38 158.9(5) . .
O7 W2 O54 96.0(5) . .
O6 W2 O54 164.8(5) . .
O2 W2 O54 91.1(5) . .
O38 W2 O54 82.8(5) . .
O7 W2 O27 171.4(5) . .
O6 W2 O27 85.8(5) . .
O2 W2 O27 73.0(4) . .
O38 W2 O27 86.1(5) . .
O54 W2 O27 80.8(5) . .
O8 W3 O55 98.9(6) . .
O8 W3 O47 98.7(6) . 2_654
O55 W3 O47 92.5(5) . 2_654
O8 W3 O44 96.6(6) . .
O55 W3 O44 163.7(5) . .
O47 W3 O44 90.1(5) 2_654 .
O8 W3 O20 92.7(5) . .
O55 W3 O20 89.9(5) . .
O47 W3 O20 167.8(5) 2_654 .
O44 W3 O20 84.4(5) . .
O8 W3 O56 175.8(5) . .
O55 W3 O56 80.4(5) . .
O47 W3 O56 85.5(5) 2_654 .
O44 W3 O56 83.9(5) . .
O20 W3 O56 83.2(5) . .
O40 W4 O54 99.3(6) . .
O40 W4 O16 102.0(6) . .
O54 W4 O16 85.9(5) . .
O40 W4 O30 100.5(6) . .
O54 W4 O30 94.1(5) . .
O16 W4 O30 157.1(5) . .
O40 W4 O50 97.4(6) . .
O54 W4 O50 162.3(5) . .
O16 W4 O50 84.9(5) . .
O30 W4 O50 88.6(5) . .
O40 W4 O43 173.1(6) . .
O54 W4 O43 81.6(5) . .
O16 W4 O43 84.8(5) . .
O30 W4 O43 72.6(5) . .
O50 W4 O43 82.5(5) . .
O23 W5 O50 99.4(5) . .
O23 W5 O5 101.7(6) . .
O50 W5 O5 93.2(5) . .
O23 W5 O45 100.2(6) . .
O50 W5 O45 91.5(5) . .
O5 W5 O45 156.5(5) . .
O23 W5 O36 95.9(5) . .
O50 W5 O36 164.6(5) . .
O5 W5 O36 85.4(5) . .
O45 W5 O36 84.1(5) . .
O23 W5 O15 171.5(5) . .
O50 W5 O15 85.9(5) . .
O5 W5 O15 84.6(5) . .
O45 W5 O15 72.9(5) . .
O36 W5 O15 78.7(5) . .
O39 W6 O19 98.6(5) . .
O39 W6 O4 95.4(6) . .
O19 W6 O4 88.1(5) . .
O39 W6 O49 98.7(5) . .
O19 W6 O49 90.7(5) . .
O4 W6 O49 165.9(5) . .
O39 W6 O28 95.0(5) . 2_654
O19 W6 O28 166.4(5) . 2_654
O4 W6 O28 90.0(5) . 2_654
O49 W6 O28 87.9(5) . 2_654
O39 W6 O18 175.7(5) . .
O19 W6 O18 85.5(5) . .
O4 W6 O18 83.4(5) . .
O49 W6 O18 82.5(5) . .
O28 W6 O18 80.8(5) 2_654 .
O31 W7 O38 100.4(6) . .
O31 W7 O16 96.8(5) . .
O38 W7 O16 88.1(5) . .
O31 W7 O55 97.1(6) . .
O38 W7 O55 92.1(5) . .
O16 W7 O55 165.9(5) . .
O31 W7 O41 92.5(6) . .
O38 W7 O41 167.1(5) . .
O16 W7 O41 90.2(5) . .
O55 W7 O41 86.5(5) . .
O31 W7 O13 174.3(5) . .
O38 W7 O13 85.3(5) . .
O16 W7 O13 84.1(5) . .
O55 W7 O13 81.8(5) . .
O41 W7 O13 81.9(5) . .
O25 W8 O9 104.1(5) . .
O25 W8 O48 98.6(6) . 2_654
O9 W8 O48 92.4(5) . 2_654
O25 W8 O2 94.1(5) . .
O9 W8 O2 160.6(5) . .
O48 W8 O2 91.3(5) 2_654 .
O25 W8 O51 94.1(6) . .
O9 W8 O51 83.9(5) . .
O48 W8 O51 167.3(5) 2_654 .
O2 W8 O51 88.4(5) . .
O25 W8 O27 167.8(5) . .
O9 W8 O27 87.4(5) . .
O48 W8 O27 85.0(5) 2_654 .
O2 W8 O27 74.0(5) . .
O51 W8 O27 82.7(5) . .
O11 W9 O49 98.1(6) . .
O11 W9 O47 99.2(6) . .
O49 W9 O47 92.0(5) . .
O11 W9 O33 95.7(6) . .
O49 W9 O33 90.3(5) . .
O47 W9 O33 164.5(5) . .
O11 W9 O9 97.5(6) . .
O49 W9 O9 164.0(5) . .
O47 W9 O9 89.0(5) . .
O33 W9 O9 84.7(5) . .
O11 W9 O35 179.2(6) . .
O49 W9 O35 81.8(5) . .
O47 W9 O35 81.6(5) . .
O33 W9 O35 83.5(5) . .
O9 W9 O35 82.6(5) . .
O17 W10 O20 103.0(6) . .
O17 W10 O6 98.7(5) . .
O20 W10 O6 91.1(5) . .
O17 W10 O42 97.4(6) . 2_654
O20 W10 O42 159.4(5) . 2_654
O6 W10 O42 88.5(5) . 2_654
O17 W10 O22 94.6(5) . .
O20 W10 O22 86.5(5) . .
O6 W10 O22 166.7(5) . .
O42 W10 O22 89.2(5) 2_654 .
O17 W10 O21 169.3(5) . 2_654
O20 W10 O21 86.4(5) . 2_654
O6 W10 O21 86.1(5) . 2_654
O42 W10 O21 73.0(5) 2_654 2_654
O22 W10 O21 80.7(4) . 2_654
O29 W11 O33 101.3(6) . .
O29 W11 O30 99.3(6) . .
O33 W11 O30 159.3(5) . .
O29 W11 O51 98.8(6) . .
O33 W11 O51 86.9(5) . .
O30 W11 O51 92.3(6) . .
O29 W11 O46 96.1(6) . .
O33 W11 O46 87.1(5) . .
O30 W11 O46 88.4(5) . .
O51 W11 O46 164.7(5) . .
O29 W11 O43 173.4(5) . .
O33 W11 O43 85.0(5) . .
O30 W11 O43 74.4(5) . .
O51 W11 O43 83.3(5) . .
O46 W11 O43 82.1(5) . .
O37 W12 O44 101.1(6) . .
O37 W12 O42 100.0(6) . .
O44 W12 O42 158.9(5) . .
O37 W12 O48 98.4(6) . .
O44 W12 O48 87.4(5) . .
O42 W12 O48 89.1(5) . .
O37 W12 O22 95.7(6) . .
O44 W12 O22 87.9(5) . .
O42 W12 O22 90.5(5) . .
O48 W12 O22 165.8(5) . .
O37 W12 O21 172.3(6) . .
O44 W12 O21 86.0(5) . .
O42 W12 O21 72.9(5) . .
O48 W12 O21 84.7(5) . .
O22 W12 O21 81.5(5) . .
O14 W13 O45 98.4(6) . .
O14 W13 O46 97.2(5) . .
O45 W13 O46 93.7(5) . .
O14 W13 O19 101.7(6) . .
O45 W13 O19 159.3(5) . .
O46 W13 O19 88.8(5) . .
O14 W13 O34 97.3(5) . .
O45 W13 O34 88.4(5) . .
O46 W13 O34 164.9(5) . .
O19 W13 O34 84.1(5) . .
O14 W13 O15 172.3(6) . .
O45 W13 O15 74.3(5) . .
O46 W13 O15 85.6(5) . .
O19 W13 O15 85.5(5) . .
O34 W13 O15 80.6(4) . .
O3 W14 O52 103.5(6) . .
O3 W14 O53 100.1(5) . .
O52 W14 O53 93.4(5) . .
O3 W14 O24 96.3(5) . .
O52 W14 O24 158.8(5) . .
O53 W14 O24 90.4(5) . .
O3 W14 O36 93.0(5) . .
O52 W14 O36 84.9(5) . .
O53 W14 O36 166.8(5) . .
O24 W14 O36 86.7(5) . .
O3 W14 O26 167.2(5) . .
O52 W14 O26 86.4(5) . .
O53 W14 O26 87.3(5) . .
O24 W14 O26 73.0(4) . .
O36 W14 O26 79.6(4) . .
O32 W15 O4 102.8(6) . .
O32 W15 O24 98.7(6) . .
O4 W15 O24 158.6(5) . .
O32 W15 O53 99.1(5) . 2_654
O4 W15 O53 88.0(5) . 2_654
O24 W15 O53 88.7(5) . 2_654
O32 W15 O34 96.0(5) . .
O4 W15 O34 87.4(5) . .
O24 W15 O34 90.3(5) . .
O53 W15 O34 164.9(5) 2_654 .
O32 W15 O26 170.7(5) . .
O4 W15 O26 86.0(5) . .
O24 W15 O26 72.7(4) . .
O53 W15 O26 84.3(4) 2_654 .
O34 W15 O26 81.0(4) . .
N1 Ag1 N10 144.9(7) . .
N16 Ag2 O25 110.2(6) . .
N16 Ag2 C21 140.6(7) . 5_675
O25 Ag2 C21 107.8(6) . 5_675
N16 Ag2 C22 134.0(6) . 5_675
O25 Ag2 C22 93.8(6) . 5_675
C21 Ag2 C22 32.0(7) 5_675 5_675
N16 Ag2 Ag2 83.3(4) . 5_675
O25 Ag2 Ag2 131.7(3) . 5_675
C21 Ag2 Ag2 79.2(6) 5_675 5_675
C22 Ag2 Ag2 109.6(5) 5_675 5_675
N7 Ag4 O1W 177.2(8) . .
N7 Ag4 O8 87.3(5) . 5_675
O1W Ag4 O8 92.8(5) . 5_675
N19 Ag5 N19 180.000(1) . 7_665
N19 Ag5 Ag10 118.9(4) . 7_665
N19 Ag5 Ag10 61.1(4) 7_665 7_665
N19 Ag5 Ag10 61.1(4) . .
N19 Ag5 Ag10 118.9(4) 7_665 .
Ag10 Ag5 Ag10 180.00(5) 7_665 .
N8 Ag6 N22 164.9(6) . 7_665
N8 Ag6 N14 102.8(6) . .
N22 Ag6 N14 83.8(6) 7_665 .
N11 Ag7 N6 172.0(6) 6_576 .
N11 Ag7 O3 110.7(5) 6_576 8_566
N6 Ag7 O3 77.1(5) . 8_566
N5 Ag8 N18 165.0(5) . 7_665
N5 Ag8 O39 90.1(5) . .
N18 Ag8 O39 75.0(5) 7_665 .
N12 Ag9 O3W 114.1(7) 2_654 .
N12 Ag9 O2W 152.3(6) 2_654 .
O3W Ag9 O2W 87.7(6) . .
N12 Ag9 O31 89.1(5) 2_654 .
O3W Ag9 O31 149.8(7) . .
O2W Ag9 O31 77.8(4) . .
N20 Ag10 C13 140.6(7) . .
N20 Ag10 C14 172.0(6) . .
C13 Ag10 C14 33.8(7) . .
N20 Ag10 O11 84.0(5) . .
C13 Ag10 O11 130.7(6) . .
C14 Ag10 O11 99.1(5) . .
N20 Ag10 Ag5 63.6(4) . .
C13 Ag10 Ag5 141.7(5) . .
C14 Ag10 Ag5 124.4(5) . .
O11 Ag10 Ag5 64.1(3) . .
N17 Ag11 N9 161.4(6) . .
N17 Ag11 N15 84.7(6) . .
N9 Ag11 N15 108.3(6) . .
O10 P1 O18 112.3(7) . .
O10 P1 O15 110.2(7) . .
O18 P1 O15 109.1(6) . .
O10 P1 O26 109.0(6) . .
O18 P1 O26 108.9(7) . .
O15 P1 O26 107.0(6) . .
O13 P2 O35 112.2(7) . .
O13 P2 O27 108.8(7) . .
O35 P2 O27 108.1(7) . .
O13 P2 O43 110.3(7) . .
O35 P2 O43 109.3(7) . .
O27 P2 O43 108.0(7) . .
O56 P3 O56 111.5(9) . 2_654
O56 P3 O21 109.7(6) . 2_654
O56 P3 O21 109.5(6) 2_654 2_654
O56 P3 O21 109.5(6) . .
O56 P3 O21 109.7(6) 2_654 .
O21 P3 O21 106.9(9) 2_654 .
W2 O2 W8 118.7(6) . .
W14 O3 Ag7 160.0(7) . 8_465
W15 O4 W6 148.8(8) . .
W5 O5 W1 153.5(8) . .
W2 O6 W10 160.0(7) . .
W3 O8 Ag4 121.2(6) . 5_675
W8 O9 W9 151.6(6) . .
P1 O10 W1 131.5(7) . .
W9 O11 Ag10 155.7(7) . .
P2 O13 W7 130.9(7) . .
P1 O15 W13 127.8(7) . .
P1 O15 W5 127.6(7) . .
W13 O15 W5 93.1(4) . .
W7 O16 W4 147.1(7) . .
P1 O18 W6 131.7(7) . .
W6 O19 W13 150.5(7) . .
W10 O20 W3 151.2(6) . .
P3 O21 W10 126.3(6) . 2_654
P3 O21 W12 125.7(7) . .
W10 O21 W12 94.8(4) 2_654 .
W12 O22 W10 147.8(7) . .
W15 O24 W14 118.9(6) . .
W8 O25 Ag2 113.3(6) . .
P1 O26 W14 127.7(7) . .
P1 O26 W15 125.6(6) . .
W14 O26 W15 95.3(4) . .
P2 O27 W8 126.4(6) . .
P2 O27 W2 126.1(6) . .
W8 O27 W2 94.1(4) . .
W1 O28 W6 162.1(7) . 2_654
W11 O30 W4 120.0(6) . .
W7 O31 Ag9 127.0(7) . .
W11 O33 W9 150.2(6) . .
W15 O34 W13 149.2(7) . .
P2 O35 W9 132.4(7) . .
W5 O36 W14 145.5(6) . .
W7 O38 W2 149.6(7) . .
W6 O39 Ag8 128.6(6) . .
W1 O41 W7 161.3(7) . .
W12 O42 W10 119.3(6) . 2_654
P2 O43 W11 126.9(7) . .
P2 O43 W4 125.1(7) . .
W11 O43 W4 93.1(4) . .
W12 O44 W3 150.4(7) . .
W13 O45 W5 118.9(6) . .
W13 O46 W11 163.8(7) . .
W3 O47 W9 164.0(7) 2_654 .
W8 O48 W12 161.6(7) 2_654 .
W9 O49 W6 160.8(7) . .
W5 O50 W4 160.7(7) . .
W11 O51 W8 147.8(7) . .
W14 O52 W1 154.0(7) . .
W14 O53 W15 159.2(7) . 2_654
W4 O54 W2 154.7(7) . .
W3 O55 W7 160.6(7) . .
P3 O56 W3 131.7(7) . .
C1 N1 N2 106.8(18) . .
C1 N1 Ag1 132.3(17) . .
N2 N1 Ag1 120.9(16) . .
N3 N2 N1 109(2) . .
N2 N3 N4 108.6(19) . .
N3 N4 C1 106.8(17) . .
N22 N5 C8 104.7(15) . .
N22 N5 Ag8 119.5(12) . .
C8 N5 Ag8 134.0(12) . .
N7 N6 C15 103.5(16) . .
N7 N6 Ag7 121.0(12) . .
C15 N6 Ag7 135.4(13) . .
N6 N7 N8 112.5(16) . .
N6 N7 Ag4 130.2(13) . .
N8 N7 Ag4 117.2(14) . .
N7 N8 N9 105.9(16) . .
N7 N8 Ag6 124.4(13) . .
N9 N8 Ag6 129.5(11) . .
N8 N9 C15 106.3(15) . .
N8 N9 Ag11 112.2(11) . .
C15 N9 Ag11 141.2(14) . .
C26 N10 N14 105.5(17) . .
C26 N10 Ag1 137.9(14) . .
N14 N10 Ag1 116.1(12) . .
C8 N11 N12 107.9(15) . .
C8 N11 Ag7 135.6(13) . 6_575
N12 N11 Ag7 113.6(11) . 6_575
N22 N12 N11 108.1(16) . .
N22 N12 Ag9 126.9(13) . 2_654
N11 N12 Ag9 124.1(11) . 2_654
N15 N14 N10 108.2(17) . .
N15 N14 Ag6 122.1(14) . .
N10 N14 Ag6 127.5(13) . .
N14 N15 N16 111.8(17) . .
N14 N15 Ag11 113.8(13) . .
N16 N15 Ag11 129.7(12) . .
N15 N16 C26 103.5(15) . .
N15 N16 Ag2 112.9(12) . .
C26 N16 Ag2 140.3(14) . .
C36 N17 N18 103.6(15) . .
C36 N17 Ag11 131.7(13) . .
N18 N17 Ag11 122.8(12) . .
N19 N18 N17 110.1(15) . .
N19 N18 Ag8 122.0(12) . 7_665
N17 N18 Ag8 127.6(12) . 7_665
N18 N19 N20 110.3(14) . .
N18 N19 Ag5 126.3(12) . .
N20 N19 Ag5 122.3(11) . .
C36 N20 N19 105.3(14) . .
C36 N20 Ag10 137.4(14) . .
N19 N20 Ag10 112.2(11) . .
N12 N22 N5 110.4(16) . .
N12 N22 Ag6 126.3(13) . 7_665
N5 N22 Ag6 122.7(12) . 7_665
N1 C1 N4 108.4(18) . .
N1 C1 C2 129.3(19) . .
N4 C1 C2 122.2(18) . .
C3 C2 C7 122(2) . .
C3 C2 C1 120(2) . .
C7 C2 C1 118.1(19) . .
C2 C3 C4 121(2) . .
C2 C3 H3A 119.3 . .
C4 C3 H3A 119.3 . .
C3 C4 C5 117(2) . .
C3 C4 H4A 121.4 . .
C5 C4 H4A 121.4 . .
C6 C5 C4 118(2) . .
C6 C5 H5A 121.0 . .
C4 C5 H5A 121.0 . .
C7 C6 C5 124(2) . .
C7 C6 H6A 118.1 . .
C5 C6 H6A 118.1 . .
C6 C7 C2 118(2) . .
C6 C7 H7A 121.1 . .
C2 C7 H7A 121.1 . .
N11 C8 N5 108.9(16) . .
N11 C8 C9 127.7(17) . .
N5 C8 C9 123.3(15) . .
C10 C9 C14 121.4(19) . .
C10 C9 C8 117.7(18) . .
C14 C9 C8 120.9(18) . .
C9 C10 C11 117(2) . .
C9 C10 H10A 121.5 . .
C11 C10 H10A 120.9 . .
C12 C11 C10 121(2) . .
C12 C11 H11A 121.7 . .
C10 C11 H11A 117.6 . .
C13 C12 C11 120(2) . .
C13 C12 H12A 120.0 . .
C11 C12 H12A 120.0 . .
C12 C13 C14 121(2) . .
C12 C13 Ag10 94.2(16) . .
C14 C13 Ag10 77.3(11) . .
C12 C13 H13A 117.7 . .
C14 C13 H13A 117.7 . .
Ag10 C13 H13A 117.7 . .
C9 C14 C13 119.8(19) . .
C9 C14 Ag10 98.2(13) . .
C13 C14 Ag10 68.9(11) . .
C9 C14 H14A 118.7 . .
C13 C14 H14A 118.7 . .
Ag10 C14 H14A 118.7 . .
N6 C15 N9 111.6(17) . .
N6 C15 C16 120.2(17) . .
N9 C15 C16 128.1(18) . .
C20 C16 C17 122(2) . .
C20 C16 C15 121.2(18) . .
C17 C16 C15 116.8(18) . .
C25 C17 C16 119(2) . .
C25 C17 H17A 120.5 . .
C16 C17 H17A 120.5 . .
C19 C18 C25 119(2) . .
C19 C18 H18A 120.3 . .
C25 C18 H18A 120.3 . .
C18 C19 C20 120(2) . .
C18 C19 H19A 119.9 . .
C20 C19 H19A 119.9 . .
C16 C20 C19 121(2) . .
C16 C20 H20A 119.6 . .
C19 C20 H20A 119.6 . .
C27 C21 C22 117.0(19) . .
C27 C21 Ag2 96.4(12) . 5_675
C22 C21 Ag2 82.7(12) . 5_675
C27 C21 H21A 121.5 . .
C22 C21 H21A 121.5 . .
Ag2 C21 H21A 90.9 5_675 .
C28 C22 C21 120.1(18) . .
C28 C22 Ag2 107.5(14) . 5_675
C21 C22 Ag2 65.3(11) . 5_675
C28 C22 H22A 120.0 . .
C21 C22 H22A 120.0 . .
Ag2 C22 H22A 96.7 5_675 .
C17 C25 C18 118(2) . .
C17 C25 H25A 120.8 . .
C18 C25 H25A 120.8 . .
N10 C26 N16 110.8(18) . .
N10 C26 C27 124.0(18) . .
N16 C26 C27 125.2(16) . .
C30 C27 C21 119.3(19) . .
C30 C27 C26 123.7(17) . .
C21 C27 C26 116.7(18) . .
C29 C28 C22 122(2) . .
C29 C28 H28A 118.8 . .
C22 C28 H28A 118.8 . .
C28 C29 C30 120(2) . .
C28 C29 H29A 119.8 . .
C30 C29 H29A 119.8 . .
C27 C30 C29 120.5(18) . .
C27 C30 H30A 116.2 . .
C29 C30 H30A 122.9 . .
C32 C31 C37 119(2) . .
C32 C31 H31A 121.3 . .
C37 C31 H31A 119.7 . .
C31 C32 C33 122(2) . .
C31 C32 H32A 118.8 . .
C33 C32 H32A 118.8 . .
C39 C33 C32 119(3) . .
C39 C33 H33A 120.5 . .
C32 C33 H33A 120.5 . .
C37 C35 C39 120(2) . .
C37 C35 C36 122.2(18) . .
C39 C35 C36 117.7(19) . .
N20 C36 N17 110.7(16) . .
N20 C36 C35 126.6(17) . .
N17 C36 C35 122.7(17) . .
C35 C37 C31 120(2) . .
C35 C37 H37A 121.0 . .
C31 C37 H37A 118.8 . .
C33 C39 C35 119(3) . .
C33 C39 H39A 120.4 . .
C35 C39 H39A 120.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O12 1.748(12) .
W1 O28 1.854(10) .
W1 O41 1.858(11) .
W1 O5 1.952(11) .
W1 O52 1.952(12) .
W1 O10 2.186(11) .
W2 O7 1.719(12) .
W2 O6 1.911(13) .
W2 O2 1.926(12) .
W2 O38 1.924(12) .
W2 O54 1.928(11) .
W2 O27 2.308(12) .
W3 O8 1.725(13) .
W3 O55 1.874(12) .
W3 O47 1.893(12) 2_654
W3 O44 1.920(12) .
W3 O20 1.971(11) .
W3 O56 2.187(11) .
W4 O40 1.722(13) .
W4 O54 1.905(12) .
W4 O16 1.911(12) .
W4 O30 1.924(12) .
W4 O50 1.944(12) .
W4 O43 2.311(13) .
W5 O23 1.723(13) .
W5 O50 1.861(12) .
W5 O5 1.883(11) .
W5 O45 1.945(12) .
W5 O36 2.042(12) .
W5 O15 2.284(12) .
W6 O39 1.751(12) .
W6 O19 1.878(11) .
W6 O4 1.910(13) .
W6 O49 1.908(11) .
W6 O28 1.937(11) 2_654
W6 O18 2.159(11) .
W7 O31 1.722(12) .
W7 O38 1.883(12) .
W7 O16 1.915(11) .
W7 O55 1.918(12) .
W7 O41 1.925(11) .
W7 O13 2.218(12) .
W8 O25 1.729(12) .
W8 O9 1.878(12) .
W8 O48 1.915(11) 2_654
W8 O2 1.950(12) .
W8 O51 1.993(13) .
W8 O27 2.247(11) .
W9 O11 1.750(13) .
W9 O49 1.876(11) .
W9 O47 1.893(12) .
W9 O33 1.924(11) .
W9 O9 1.938(11) .
W9 O35 2.193(11) .
W10 O17 1.711(13) .
W10 O20 1.858(11) .
W10 O6 1.913(13) .
W10 O42 1.930(12) 2_654
W10 O22 1.981(12) .
W10 O21 2.260(12) 2_654
W11 O29 1.726(12) .
W11 O33 1.891(11) .
W11 O30 1.902(13) .
W11 O51 1.932(13) .
W11 O46 1.948(12) .
W11 O43 2.253(11) .
W12 O37 1.738(13) .
W12 O44 1.895(12) .
W12 O42 1.930(12) .
W12 O48 1.910(11) .
W12 O22 1.916(12) .
W12 O21 2.266(12) .
W13 O14 1.707(12) .
W13 O45 1.891(13) .
W13 O46 1.888(12) .
W13 O19 1.930(11) .
W13 O34 1.991(12) .
W13 O15 2.264(11) .
W14 O3 1.705(12) .
W14 O52 1.842(12) .
W14 O53 1.900(12) .
W14 O24 1.958(12) .
W14 O36 2.068(12) .
W14 O26 2.240(11) .
W15 O32 1.708(14) .
W15 O4 1.877(13) .
W15 O24 1.921(12) .
W15 O53 1.953(12) 2_654
W15 O34 1.959(12) .
W15 O26 2.282(11) .
Ag1 N1 2.159(19) .
Ag1 N10 2.191(16) .
Ag2 N16 2.190(16) .
Ag2 O25 2.437(13) .
Ag2 C21 2.47(2) 5_675
Ag2 C22 2.694(19) 5_675
Ag2 Ag2 3.315(5) 5_675
Ag3 Ag3 3.063(6) 2_655
Ag4 N7 2.210(17) .
Ag4 O1W 2.207(17) .
Ag4 O8 2.591(12) 5_675
Ag5 N19 2.100(14) .
Ag5 N19 2.100(14) 7_665
Ag5 Ag10 3.3282(19) 7_665
Ag5 Ag10 3.3282(19) .
Ag6 N8 2.232(17) .
Ag6 N22 2.301(17) 7_665
Ag6 N14 2.415(18) .
Ag7 N11 2.153(16) 6_576
Ag7 N6 2.139(17) .
Ag7 O3 2.545(12) 8_566
Ag8 N5 2.209(16) .
Ag8 N18 2.222(16) 7_665
Ag8 O39 2.598(13) .
Ag9 N12 2.293(16) 2_654
Ag9 O3W 2.32(2) .
Ag9 O2W 2.507(14) .
Ag9 O31 2.536(13) .
Ag10 N20 2.153(16) .
Ag10 C13 2.38(2) .
Ag10 C14 2.487(19) .
Ag10 O11 2.477(13) .
Ag11 N17 2.163(15) .
Ag11 N9 2.176(15) .
Ag11 N15 2.520(17) .
P1 O10 1.541(13) .
P1 O18 1.544(12) .
P1 O15 1.563(13) .
P1 O26 1.559(12) .
P2 O13 1.508(13) .
P2 O35 1.537(12) .
P2 O27 1.555(13) .
P2 O43 1.555(12) .
P3 O56 1.547(12) .
P3 O56 1.547(12) 2_654
P3 O21 1.564(11) 2_654
P3 O21 1.564(11) .
O3 Ag7 2.545(12) 8_465
O8 Ag4 2.591(12) 5_675
O21 W10 2.260(12) 2_654
O28 W6 1.937(11) 2_654
O42 W10 1.930(12) 2_654
O47 W3 1.893(12) 2_654
O48 W8 1.915(11) 2_654
O53 W15 1.953(12) 2_654
N1 C1 1.30(3) .
N1 N2 1.36(3) .
N2 N3 1.29(3) .
N3 N4 1.33(2) .
N4 C1 1.36(3) .
N5 N22 1.34(2) .
N5 C8 1.38(2) .
N6 N7 1.30(2) .
N6 C15 1.34(3) .
N7 N8 1.33(2) .
N8 N9 1.34(2) .
N9 C15 1.31(2) .
N10 C26 1.33(2) .
N10 N14 1.34(2) .
N11 C8 1.29(2) .
N11 N12 1.36(2) .
N11 Ag7 2.153(16) 6_575
N12 N22 1.28(2) .
N12 Ag9 2.293(16) 2_654
N14 N15 1.28(2) .
N15 N16 1.33(2) .
N16 C26 1.35(3) .
N17 C36 1.40(2) .
N17 N18 1.36(2) .
N18 N19 1.30(2) .
N18 Ag8 2.222(16) 7_665
N19 N20 1.37(2) .
N20 C36 1.33(3) .
N22 Ag6 2.301(17) 7_665
C1 C2 1.52(3) .
C2 C3 1.33(3) .
C2 C7 1.36(3) .
C3 C4 1.40(3) .
C3 H3A 0.9500 .
C4 C5 1.45(4) .
C4 H4A 0.9500 .
C5 C6 1.32(4) .
C5 H5A 0.9500 .
C6 C7 1.38(3) .
C6 H6A 0.9500 .
C7 H7A 0.9500 .
C8 C9 1.48(3) .
C9 C10 1.37(3) .
C9 C14 1.37(3) .
C10 C11 1.41(3) .
C10 H10A 0.9317 .
C11 C12 1.42(3) .
C11 H11A 0.9319 .
C12 C13 1.30(3) .
C12 H12A 0.9500 .
C13 C14 1.42(3) .
C13 H13A 1.0000 .
C14 H14A 1.0000 .
C15 C16 1.52(3) .
C16 C20 1.34(3) .
C16 C17 1.37(3) .
C17 C25 1.44(3) .
C17 H17A 0.9500 .
C18 C19 1.36(4) .
C18 C25 1.44(4) .
C18 H18A 0.9500 .
C19 C20 1.42(3) .
C19 H19A 0.9500 .
C20 H20A 0.9500 .
C21 C27 1.44(3) .
C21 C22 1.44(3) .
C21 Ag2 2.47(2) 5_675
C21 H21A 0.9500 .
C22 C28 1.39(3) .
C22 Ag2 2.694(19) 5_675
C22 H22A 0.9500 .
C25 H25A 0.9500 .
C26 C27 1.46(3) .
C27 C30 1.37(3) .
C28 C29 1.29(3) .
C28 H28A 0.9500 .
C29 C30 1.45(3) .
C29 H29A 0.9500 .
C30 H30A 0.9324 .
C31 C32 1.34(3) .
C31 C37 1.35(3) .
C31 H31A 0.9322 .
C32 C33 1.39(4) .
C32 H32A 0.9500 .
C33 C39 1.32(4) .
C33 H33A 0.9500 .
C35 C37 1.37(3) .
C35 C39 1.41(3) .
C35 C36 1.49(3) .
C37 H37A 0.9318 .
C39 H39A 0.9500 .
