#------------------------------------------------------------------------------
#$Date: 2020-03-14 04:38:46 +0200 (Sat, 14 Mar 2020) $
#$Revision: 249383 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/01/7240125.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_7240125
loop_
_publ_author_name
'Dou, Ming-Yu'
'Huang, Xianqiang'
'Yang, Guo-Yu'
_publ_section_title
;
 Two Inorganic-Organic Hybrid Silver-Polyoxometalates as Reusable Catalyst
 for One-Pot Synthesis of Propargylamines via Three-Component Coupling
 Reaction at Room Temperature
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00042F
_journal_year                    2020
_chemical_formula_sum            'C76 H112 Ag4 N20 O54 S10 Si W12'
_chemical_formula_weight         5156.23
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2019-10-17 deposited with the CCDC.	2020-03-13 downloaded from the CCDC.
;
_cell_angle_alpha                97.1360(10)
_cell_angle_beta                 108.793(2)
_cell_angle_gamma                104.501(2)
_cell_formula_units_Z            1
_cell_length_a                   14.1080(13)
_cell_length_b                   15.0509(14)
_cell_length_c                   16.3421(15)
_cell_measurement_reflns_used    2918
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.03
_cell_measurement_theta_min      2.447
_cell_volume                     3099.9(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0628
_diffrn_reflns_av_sigmaI/netI    0.1263
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15867
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    11.967
_exptl_absorpt_correction_T_max  0.2219
_exptl_absorpt_correction_T_min  0.1878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.762
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2390
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         5.641
_refine_diff_density_min         -3.712
_refine_diff_density_rms         0.387
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     825
_refine_ls_number_reflns         10734
_refine_ls_number_restraints     2522
_refine_ls_restrained_S_all      0.913
_refine_ls_R_factor_all          0.1372
_refine_ls_R_factor_gt           0.0789
_refine_ls_shift/su_max          0.187
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1163P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1943
_refine_ls_wR_factor_ref         0.2223
_reflns_number_gt                5896
_reflns_number_total             10734
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0ce00042f2.cif
_cod_data_source_block           160412f
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7240125
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.46180(19) 0.84294(13) 0.59710(13) 0.0613(6) Uani 1 1 d U . .
Ag2 Ag 0.90353(19) 0.04794(15) 0.31759(13) 0.0636(6) Uani 1 1 d U . .
W1 W 0.31014(8) 0.43165(6) 0.09703(6) 0.0401(3) Uani 1 1 d U . .
W2 W 0.40161(8) 0.66935(7) 0.08551(6) 0.0430(3) Uani 1 1 d U . .
W3 W 0.58611(8) 0.73640(6) -0.01650(6) 0.0399(3) Uani 1 1 d U . .
W4 W 0.66668(8) 0.67726(6) 0.19159(6) 0.0402(3) Uani 1 1 d U . .
W5 W 0.76376(8) 0.50464(7) 0.10937(6) 0.0431(3) Uani 1 1 d U . .
W6 W 0.57485(8) 0.44136(6) 0.20851(5) 0.0390(3) Uani 1 1 d U . .
Si1 Si 0.5000 0.5000 0.0000 0.0134(12) Uani 1 2 d SU . .
S1 S 0.2288(7) 0.6601(6) 0.2792(5) 0.077(2) Uani 1 1 d U . .
S2 S 0.2322(8) 0.9293(6) 0.1400(6) 0.092(3) Uani 1 1 d U . .
S3 S 0.8784(10) 0.6279(7) 0.5052(7) 0.117(4) Uani 1 1 d U . .
S4 S 0.9722(11) 0.2231(8) 0.1306(7) 0.106(4) Uani 0.826(16) 1 d PDU A 1
S5 S 0.2494(16) 0.2518(14) 0.2813(14) 0.119(4) Uani 0.480(15) 1 d PDU B 1
S4' S 0.902(3) 0.253(4) 0.1473(19) 0.106(4) Uani 0.174(16) 1 d PDU A 2
S5' S 0.3149(15) 0.2511(13) 0.3447(12) 0.119(4) Uani 0.520(15) 1 d PDU B 2
N1 N 0.4582(17) 0.7204(14) 0.4981(13) 0.053(3) Uani 1 1 d U . .
N2 N 0.5820(16) 0.9042(13) 0.5163(12) 0.046(3) Uani 1 1 d U . .
N3 N 0.6166(15) 1.0314(12) 0.4467(11) 0.041(3) Uani 1 1 d U . .
N4 N 0.5631(16) 1.0880(13) 0.2850(12) 0.049(3) Uani 1 1 d U . .
N5 N 0.6577(15) 1.0580(13) 0.5967(11) 0.047(4) Uani 1 1 d U . .
H5A H 0.6821 1.1173 0.6000 0.057 Uiso 1 1 calc R . .
H5B H 0.6592 1.0379 0.6439 0.057 Uiso 1 1 calc R . .
N6 N 0.8413(17) 0.1609(14) 0.3544(13) 0.055(4) Uani 1 1 d U . .
N7 N 0.8578(16) 0.0270(14) 0.4539(12) 0.050(3) Uani 1 1 d U . .
N8 N 0.9326(15) -0.0088(13) 0.5914(11) 0.044(3) Uani 1 1 d U . .
N9 N 1.0648(16) 0.0545(13) 0.7690(12) 0.051(4) Uani 1 1 d U . .
N10 N 0.8664(16) -0.1231(12) 0.4630(12) 0.050(5) Uani 1 1 d U . .
H10A H 0.8843 -0.1635 0.4927 0.060 Uiso 1 1 calc R . .
H10B H 0.8358 -0.1397 0.4063 0.060 Uiso 1 1 calc R . .
O1 O 0.393(2) 0.5197(19) 0.0085(18) 0.038(4) Uani 0.50 1 d PU . .
O2 O 0.461(2) 0.431(2) 0.0619(19) 0.045(4) Uani 0.50 1 d PU . .
O3 O 0.595(2) 0.526(2) 0.0951(19) 0.048(3) Uani 0.50 1 d PU . .
O4 O 0.533(2) 0.6110(19) 0.0519(17) 0.038(3) Uani 0.50 1 d PU . .
O5 O 0.2217(14) 0.4032(12) 0.1416(10) 0.061(4) Uani 1 1 d U . .
O6 O 0.3135(14) 0.3102(12) 0.0481(11) 0.068(3) Uani 1 1 d U . .
O7 O 0.4385(14) 0.4457(11) 0.1963(11) 0.062(3) Uani 1 1 d U . .
O8 O 0.3581(14) 0.5667(11) 0.1308(11) 0.060(3) Uani 1 1 d U . .
O9 O 0.3556(15) 0.7490(12) 0.1276(11) 0.064(4) Uani 1 1 d U . .
O10 O 0.4754(13) 0.7408(12) 0.0233(10) 0.060(3) Uani 1 1 d U . .
O11 O 0.5339(13) 0.6915(11) 0.1755(10) 0.056(3) Uani 1 1 d U . .
O12 O 0.6305(12) 0.8434(11) -0.0231(10) 0.052(4) Uani 1 1 d U . .
O13 O 0.6695(13) 0.7435(12) 0.1035(10) 0.058(3) Uani 1 1 d U . .
O14 O 0.7454(15) 0.7608(12) 0.2828(10) 0.067(5) Uani 1 1 d U . .
O15 O 0.7642(14) 0.6234(11) 0.1711(11) 0.062(3) Uani 1 1 d U . .
O16 O 0.6252(13) 0.5729(11) 0.2414(11) 0.058(3) Uani 1 1 d U . .
O17 O 0.8902(15) 0.5081(12) 0.1635(13) 0.076(5) Uani 1 1 d U . .
O18 O 0.7068(15) 0.3887(12) 0.0295(12) 0.076(4) Uani 1 1 d U . .
O19 O 0.7766(14) 0.5695(12) 0.0201(10) 0.063(4) Uani 1 1 d U . .
O20 O 0.6915(14) 0.4480(12) 0.1822(11) 0.063(3) Uani 1 1 d U . .
O21 O 0.6103(14) 0.4111(11) 0.3082(9) 0.054(4) Uani 1 1 d U . .
O22 O 0.5121(15) 0.3199(12) 0.1353(12) 0.072(3) Uani 1 1 d U . .
O23 O 0.1999(16) 0.7313(13) 0.3286(12) 0.077(5) Uani 1 1 d U . .
O24 O 0.2953(19) 0.9932(16) 0.2323(15) 0.105(7) Uani 1 1 d U . .
O25 O 0.9346(17) 0.7244(12) 0.5483(13) 0.089(6) Uani 1 1 d U . .
O26 O 0.877(2) 0.1507(17) 0.1220(16) 0.117(5) Uani 1 1 d U . .
O27 O 0.276(2) 0.3469(16) 0.3434(15) 0.109(5) Uani 1 1 d U . .
O28 O 0.944(2) 0.5599(18) 0.0079(19) 0.152(8) Uani 1 1 d U . .
H28C H 0.9264 0.5474 0.0513 0.182 Uiso 1 1 d R . .
H28D H 0.9791 0.5244 -0.0018 0.182 Uiso 0.50 1 d PR . .
H28B H 0.8889 0.5500 -0.0379 0.182 Uiso 0.50 1 d PR . .
O29 O 0.722(2) 0.2244(17) 0.1053(15) 0.127(5) Uani 1 1 d U . .
H29F H 0.7143 0.2710 0.0821 0.152 Uiso 1 1 d R . .
H29G H 0.7825 0.2205 0.1120 0.152 Uiso 1 1 d R . .
C1 C 0.505(2) 0.7436(16) 0.4407(15) 0.047(3) Uani 1 1 d U . .
C2 C 0.505(2) 0.6669(17) 0.3782(15) 0.053(3) Uani 1 1 d U . .
H2 H 0.5363 0.6791 0.3370 0.063 Uiso 1 1 calc R . .
C3 C 0.459(2) 0.5782(18) 0.3803(17) 0.060(4) Uani 1 1 d U . .
H3 H 0.4540 0.5290 0.3369 0.073 Uiso 1 1 calc R . .
C4 C 0.420(2) 0.5581(18) 0.4458(16) 0.056(4) Uani 1 1 d U . .
H4 H 0.3956 0.4971 0.4524 0.067 Uiso 1 1 calc R . .
C5 C 0.421(2) 0.6367(17) 0.5006(16) 0.053(4) Uani 1 1 d U . .
H5 H 0.3915 0.6260 0.5430 0.064 Uiso 1 1 calc R . .
C6 C 0.552(2) 0.8463(17) 0.4438(15) 0.048(3) Uani 1 1 d U . .
C7 C 0.5602(19) 0.8730(16) 0.3638(14) 0.045(3) Uani 1 1 d U . .
H7 H 0.5472 0.8289 0.3132 0.054 Uiso 1 1 calc R . .
C8 C 0.5891(19) 0.9688(15) 0.3682(14) 0.040(3) Uani 1 1 d U . .
C9 C 0.6178(19) 0.9979(16) 0.5189(14) 0.042(4) Uani 1 1 d U . .
C10 C 0.5889(19) 1.0073(16) 0.2937(14) 0.044(3) Uani 1 1 d U . .
C11 C 0.6105(19) 0.9633(16) 0.2233(14) 0.048(4) Uani 1 1 d U . .
H11 H 0.6269 0.9074 0.2270 0.057 Uiso 1 1 calc R . .
C12 C 0.609(2) 0.9994(17) 0.1484(16) 0.054(4) Uani 1 1 d U . .
H12 H 0.6249 0.9699 0.1035 0.065 Uiso 1 1 calc R . .
C13 C 0.581(2) 1.0837(17) 0.1442(16) 0.054(4) Uani 1 1 d U . .
H13 H 0.5784 1.1106 0.0957 0.065 Uiso 1 1 calc R . .
C14 C 0.5573(19) 1.1259(16) 0.2128(14) 0.047(4) Uani 1 1 d U . .
H14 H 0.5375 1.1802 0.2093 0.056 Uiso 1 1 calc R . .
C15 C 0.836(2) 0.1780(18) 0.4367(16) 0.054(4) Uani 1 1 d U . .
C16 C 0.808(2) 0.2540(18) 0.4684(17) 0.059(4) Uani 1 1 d U . .
H16 H 0.8016 0.2625 0.5237 0.071 Uiso 1 1 calc R . .
C17 C 0.788(2) 0.3189(19) 0.4115(16) 0.061(5) Uani 1 1 d U . .
H17 H 0.7710 0.3715 0.4306 0.073 Uiso 1 1 calc R . .
C18 C 0.794(2) 0.303(2) 0.3288(18) 0.071(5) Uani 1 1 d U . .
H18 H 0.7868 0.3459 0.2932 0.085 Uiso 1 1 calc R . .
C19 C 0.812(2) 0.219(2) 0.2999(19) 0.075(4) Uani 1 1 d U . .
H19 H 0.8041 0.2020 0.2407 0.090 Uiso 1 1 calc R . .
C20 C 0.872(2) 0.1179(17) 0.4970(15) 0.047(3) Uani 1 1 d U . .
C21 C 0.9124(19) 0.1441(17) 0.5849(15) 0.050(4) Uani 1 1 d U . .
H21 H 0.9172 0.2031 0.6140 0.060 Uiso 1 1 calc R . .
C22 C 0.9481(19) 0.0803(16) 0.6323(14) 0.046(4) Uani 1 1 d U . .
C23 C 0.886(2) -0.0341(16) 0.5053(15) 0.049(4) Uani 1 1 d U . .
C24 C 1.005(2) 0.1067(16) 0.7349(14) 0.046(4) Uani 1 1 d U . .
C25 C 0.9940(19) 0.1818(16) 0.7832(14) 0.049(4) Uani 1 1 d U . .
H25 H 0.9534 0.2170 0.7551 0.059 Uiso 1 1 calc R . .
C26 C 1.045(2) 0.2049(19) 0.8749(16) 0.064(5) Uani 1 1 d U . .
H26 H 1.0345 0.2526 0.9099 0.076 Uiso 1 1 calc R . .
C27 C 1.112(2) 0.1539(17) 0.9128(16) 0.057(5) Uani 1 1 d U . .
H27 H 1.1489 0.1677 0.9736 0.069 Uiso 1 1 calc R . .
C28 C 1.120(2) 0.0810(16) 0.8553(14) 0.050(4) Uani 1 1 d U . .
H28 H 1.1677 0.0495 0.8794 0.060 Uiso 1 1 calc R . .
C29 C 0.161(3) 0.555(2) 0.298(2) 0.090(8) Uani 1 1 d U . .
H29A H 0.1774 0.5607 0.3601 0.135 Uiso 1 1 calc R . .
H29B H 0.1815 0.5045 0.2745 0.135 Uiso 1 1 calc R . .
H29C H 0.0866 0.5431 0.2682 0.135 Uiso 1 1 calc R . .
C30 C 0.141(3) 0.636(2) 0.1674(19) 0.094(8) Uani 1 1 d U . .
H30A H 0.0725 0.5992 0.1617 0.140 Uiso 1 1 calc R . .
H30B H 0.1665 0.6023 0.1296 0.140 Uiso 1 1 calc R . .
H30C H 0.1379 0.6945 0.1504 0.140 Uiso 1 1 calc R . .
C31 C 0.314(3) 0.938(2) 0.077(2) 0.083(7) Uani 1 1 d U . .
H31A H 0.3610 1.0011 0.0926 0.124 Uiso 1 1 calc R . .
H31B H 0.2715 0.9222 0.0149 0.124 Uiso 1 1 calc R . .
H31C H 0.3546 0.8951 0.0891 0.124 Uiso 1 1 calc R . .
C32 C 0.168(3) 0.999(3) 0.087(3) 0.114(10) Uani 1 1 d U . .
H32A H 0.1469 1.0343 0.1276 0.171 Uiso 1 1 calc R . .
H32B H 0.1069 0.9607 0.0375 0.171 Uiso 1 1 calc R . .
H32C H 0.2139 1.0416 0.0671 0.171 Uiso 1 1 calc R . .
C33 C 0.741(3) 0.620(2) 0.459(2) 0.093(7) Uani 1 1 d U . .
H33A H 0.7191 0.6420 0.5057 0.140 Uiso 1 1 calc R . .
H33B H 0.6995 0.5562 0.4307 0.140 Uiso 1 1 calc R . .
H33C H 0.7313 0.6590 0.4164 0.140 Uiso 1 1 calc R . .
C34 C 0.894(3) 0.609(2) 0.404(2) 0.108(9) Uani 1 1 d U . .
H34A H 0.8913 0.6631 0.3785 0.162 Uiso 1 1 calc R . .
H34B H 0.8391 0.5546 0.3642 0.162 Uiso 1 1 calc R . .
H34C H 0.9612 0.5994 0.4126 0.162 Uiso 1 1 calc R . .
C35 C 1.028(3) 0.308(2) 0.2349(14) 0.112(6) Uani 1 1 d DU . .
H35A H 0.9731 0.3204 0.2516 0.168 Uiso 0.826(16) 1 calc PR A 1
H35B H 1.0721 0.3649 0.2291 0.168 Uiso 0.826(16) 1 calc PR A 1
H35C H 1.0702 0.2828 0.2796 0.168 Uiso 0.826(16) 1 calc PR A 1
H35D H 1.0110 0.3396 0.2799 0.168 Uiso 0.174(16) 1 d PR A 2
H35E H 1.0798 0.3520 0.2211 0.168 Uiso 0.174(16) 1 d PR A 2
H35F H 1.0568 0.2595 0.2560 0.168 Uiso 0.174(16) 1 d PR A 2
C36 C 0.933(3) 0.302(2) 0.0605(19) 0.110(6) Uani 1 1 d DU . .
H36A H 0.9942 0.3434 0.0566 0.165 Uiso 0.826(16) 1 calc PR A 1
H36B H 0.8975 0.3375 0.0854 0.165 Uiso 0.826(16) 1 calc PR A 1
H36C H 0.8864 0.2654 0.0023 0.165 Uiso 0.826(16) 1 calc PR A 1
H36D H 1.0024 0.3459 0.0824 0.165 Uiso 0.174(16) 1 d PR A 2
H36E H 0.8818 0.3341 0.0433 0.165 Uiso 0.174(16) 1 d PR A 2
H36F H 0.9247 0.2559 0.0101 0.165 Uiso 0.174(16) 1 d PR A 2
C37 C 0.198(2) 0.1591(19) 0.3294(19) 0.108(7) Uani 1 1 d DU . .
H37A H 0.2543 0.1534 0.3786 0.162 Uiso 0.480(15) 1 calc PR B 1
H37B H 0.1670 0.1008 0.2857 0.162 Uiso 0.480(15) 1 calc PR B 1
H37C H 0.1458 0.1734 0.3497 0.162 Uiso 0.480(15) 1 calc PR B 1
H37D H 0.1903 0.1511 0.3845 0.162 Uiso 0.520(15) 1 d PR B 2
H37E H 0.2032 0.1021 0.3000 0.162 Uiso 0.520(15) 1 d PR B 2
H37F H 0.1383 0.1734 0.2923 0.162 Uiso 0.520(15) 1 d PR B 2
C38 C 0.356(2) 0.231(2) 0.2523(17) 0.098(5) Uani 1 1 d DU . .
H38A H 0.3488 0.2432 0.1948 0.146 Uiso 0.480(15) 1 calc PR B 1
H38B H 0.3538 0.1666 0.2515 0.146 Uiso 0.480(15) 1 calc PR B 1
H38C H 0.4217 0.2719 0.2953 0.146 Uiso 0.480(15) 1 calc PR B 1
H38D H 0.3566 0.1670 0.2408 0.146 Uiso 0.520(15) 1 d PR B 2
H38E H 0.4258 0.2730 0.2687 0.146 Uiso 0.520(15) 1 d PR B 2
H38F H 0.3099 0.2428 0.2000 0.146 Uiso 0.520(15) 1 d PR B 2
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
_geom_angle_publ_flag
N4 Ag1 N1 156.0(7) 2_676 . ?
N4 Ag1 N3 72.6(6) 2_676 2_676 ?
N1 Ag1 N3 123.6(6) . 2_676 ?
N4 Ag1 N2 131.8(7) 2_676 . ?
N1 Ag1 N2 70.9(7) . . ?
N3 Ag1 N2 84.7(6) 2_676 . ?
N9 Ag2 N6 157.8(7) 2_756 . ?
N9 Ag2 N7 127.8(7) 2_756 . ?
N6 Ag2 N7 70.4(7) . . ?
N9 Ag2 N8 71.2(7) 2_756 2_756 ?
N6 Ag2 N8 128.8(7) . 2_756 ?
N7 Ag2 N8 81.5(6) . 2_756 ?
O5 W1 O19 100.7(8) . 2_665 ?
O5 W1 O8 102.8(8) . . ?
O19 W1 O8 92.7(7) 2_665 . ?
O5 W1 O6 101.7(8) . . ?
O19 W1 O6 86.5(8) 2_665 . ?
O8 W1 O6 155.2(8) . . ?
O5 W1 O7 101.1(8) . . ?
O19 W1 O7 158.1(8) 2_665 . ?
O8 W1 O7 82.4(7) . . ?
O6 W1 O7 89.1(7) . . ?
O5 W1 O2 158.3(10) . . ?
O19 W1 O2 95.2(9) 2_665 . ?
O8 W1 O2 90.9(9) . . ?
O6 W1 O2 64.5(9) . . ?
O7 W1 O2 63.7(9) . . ?
O5 W1 O1 153.9(9) . . ?
O19 W1 O1 62.1(8) 2_665 . ?
O8 W1 O1 61.4(8) . . ?
O6 W1 O1 96.9(8) . . ?
O7 W1 O1 97.3(9) . . ?
O2 W1 O1 47.8(10) . . ?
O9 W2 O8 103.1(8) . . ?
O9 W2 O11 102.0(8) . . ?
O8 W2 O11 85.1(7) . . ?
O9 W2 O10 100.9(8) . . ?
O8 W2 O10 155.9(8) . . ?
O11 W2 O10 87.1(7) . . ?
O9 W2 O18 103.1(9) . 2_665 ?
O8 W2 O18 91.9(7) . 2_665 ?
O11 W2 O18 154.7(8) . 2_665 ?
O10 W2 O18 85.5(8) . 2_665 ?
O9 W2 O1 156.4(10) . . ?
O8 W2 O1 63.5(8) . . ?
O11 W2 O1 96.2(9) . . ?
O10 W2 O1 94.8(9) . . ?
O18 W2 O1 60.4(9) 2_665 . ?
O9 W2 O4 156.0(9) . . ?
O8 W2 O4 92.3(9) . . ?
O11 W2 O4 60.5(8) . . ?
O10 W2 O4 64.1(9) . . ?
O18 W2 O4 94.6(9) 2_665 . ?
O1 W2 O4 47.7(10) . . ?
O12 W3 O10 102.1(7) . . ?
O12 W3 O13 100.1(7) . . ?
O10 W3 O13 87.1(7) . . ?
O12 W3 O6 97.5(8) . 2_665 ?
O10 W3 O6 160.1(8) . 2_665 ?
O13 W3 O6 86.5(8) . 2_665 ?
O12 W3 O22 101.4(8) . 2_665 ?
O10 W3 O22 91.0(8) . 2_665 ?
O13 W3 O22 158.3(8) . 2_665 ?
O6 W3 O22 88.1(8) 2_665 2_665 ?
O12 W3 O4 156.8(8) . . ?
O10 W3 O4 64.9(8) . . ?
O13 W3 O4 61.5(8) . . ?
O6 W3 O4 95.5(9) 2_665 . ?
O22 W3 O4 98.2(9) 2_665 . ?
O12 W3 O2 155.2(9) . 2_665 ?
O10 W3 O2 97.9(9) . 2_665 ?
O13 W3 O2 95.2(9) . 2_665 ?
O6 W3 O2 64.0(9) 2_665 2_665 ?
O22 W3 O2 63.6(9) 2_665 2_665 ?
O4 W3 O2 47.5(9) . 2_665 ?
O14 W4 O13 101.2(8) . . ?
O14 W4 O15 99.9(9) . . ?
O13 W4 O15 91.2(8) . . ?
O14 W4 O11 102.4(8) . . ?
O13 W4 O11 86.9(7) . . ?
O15 W4 O11 157.5(7) . . ?
O14 W4 O16 101.5(7) . . ?
O13 W4 O16 157.3(7) . . ?
O15 W4 O16 86.6(7) . . ?
O11 W4 O16 86.7(7) . . ?
O14 W4 O4 157.3(10) . . ?
O13 W4 O4 63.3(8) . . ?
O15 W4 O4 97.0(8) . . ?
O11 W4 O4 62.2(8) . . ?
O16 W4 O4 94.6(8) . . ?
O14 W4 O3 157.5(10) . . ?
O13 W4 O3 95.5(9) . . ?
O15 W4 O3 64.5(9) . . ?
O11 W4 O3 93.4(9) . . ?
O16 W4 O3 63.2(9) . . ?
O4 W4 O3 45.2(10) . . ?
O17 W5 O18 103.0(9) . . ?
O17 W5 O19 102.0(8) . . ?
O18 W5 O19 92.1(8) . . ?
O17 W5 O15 100.2(8) . . ?
O18 W5 O15 156.7(8) . . ?
O19 W5 O15 84.7(8) . . ?
O17 W5 O20 102.6(8) . . ?
O18 W5 O20 87.8(8) . . ?
O19 W5 O20 154.7(8) . . ?
O15 W5 O20 85.4(7) . . ?
O17 W5 O1 158.7(9) . 2_665 ?
O18 W5 O1 62.6(9) . 2_665 ?
O19 W5 O1 65.0(9) . 2_665 ?
O15 W5 O1 95.4(8) . 2_665 ?
O20 W5 O1 92.9(9) . 2_665 ?
O17 W5 O3 156.1(10) . . ?
O18 W5 O3 94.9(9) . . ?
O19 W5 O3 92.8(9) . . ?
O15 W5 O3 62.3(9) . . ?
O20 W5 O3 62.1(9) . . ?
O1 W5 O3 45.1(10) 2_665 . ?
O21 W6 O20 101.0(8) . . ?
O21 W6 O16 102.1(7) . . ?
O20 W6 O16 86.4(7) . . ?
O21 W6 O22 98.5(8) . . ?
O20 W6 O22 88.7(8) . . ?
O16 W6 O22 159.3(8) . . ?
O21 W6 O7 99.5(8) . . ?
O20 W6 O7 159.5(8) . . ?
O16 W6 O7 89.7(7) . . ?
O22 W6 O7 88.0(8) . . ?
O21 W6 O2 155.6(9) . . ?
O20 W6 O2 96.2(9) . . ?
O16 W6 O2 96.1(9) . . ?
O22 W6 O2 64.5(9) . . ?
O7 W6 O2 64.2(9) . . ?
O21 W6 O3 157.1(9) . . ?
O20 W6 O3 63.4(10) . . ?
O16 W6 O3 62.2(9) . . ?
O22 W6 O3 97.7(9) . . ?
O7 W6 O3 97.1(10) . . ?
O2 W6 O3 47.3(10) . . ?
O3 Si1 O3 180(2) . 2_665 ?
O3 Si1 O2 72.4(15) . . ?
O3 Si1 O2 107.6(15) 2_665 . ?
O3 Si1 O2 107.6(15) . 2_665 ?
O3 Si1 O2 72.4(15) 2_665 2_665 ?
O2 Si1 O2 180(2) . 2_665 ?
O3 Si1 O4 67.2(15) . . ?
O3 Si1 O4 112.8(15) 2_665 . ?
O2 Si1 O4 108.6(13) . . ?
O2 Si1 O4 71.4(13) 2_665 . ?
O3 Si1 O4 112.8(15) . 2_665 ?
O3 Si1 O4 67.2(15) 2_665 2_665 ?
O2 Si1 O4 71.4(13) . 2_665 ?
O2 Si1 O4 108.6(13) 2_665 2_665 ?
O4 Si1 O4 180.0(10) . 2_665 ?
O3 Si1 O1 112.1(15) . . ?
O3 Si1 O1 67.9(15) 2_665 . ?
O2 Si1 O1 72.5(14) . . ?
O2 Si1 O1 107.5(14) 2_665 . ?
O4 Si1 O1 72.0(14) . . ?
O4 Si1 O1 108.0(14) 2_665 . ?
O3 Si1 O1 67.9(15) . 2_665 ?
O3 Si1 O1 112.1(15) 2_665 2_665 ?
O2 Si1 O1 107.5(14) . 2_665 ?
O2 Si1 O1 72.5(14) 2_665 2_665 ?
O4 Si1 O1 108.0(14) . 2_665 ?
O4 Si1 O1 72.0(14) 2_665 2_665 ?
O1 Si1 O1 180(3) . 2_665 ?
O23 S1 C29 102.5(14) . . ?
O23 S1 C30 105.5(15) . . ?
C29 S1 C30 93.0(16) . . ?
O24 S2 C32 101.5(17) . . ?
O24 S2 C31 108.8(15) . . ?
C32 S2 C31 92.5(17) . . ?
O25 S3 C34 107.0(15) . . ?
O25 S3 C33 106.3(15) . . ?
C34 S3 C33 95.7(17) . . ?
O26 S4 C35 112.9(17) . . ?
O26 S4 C36 107.5(17) . . ?
C35 S4 C36 97.4(17) . . ?
O27 S5 C37 109.1(19) . . ?
O27 S5 C38 115.6(18) . . ?
C37 S5 C38 109.8(17) . . ?
O27 S5 H37F 107.2 . . ?
C37 S5 H37F 31.1 . . ?
C38 S5 H37F 131.7 . . ?
O27 S5 H38F 120.1 . . ?
C37 S5 H38F 126.8 . . ?
C38 S5 H38F 30.9 . . ?
H37F S5 H38F 131.4 . . ?
O26 S4' C36 108(3) . . ?
O26 S4' C35 112(3) . . ?
C36 S4' C35 97.7(18) . . ?
O26 S4' H29G 77.8 . . ?
C36 S4' H29G 103.6 . . ?
C35 S4' H29G 152.3 . . ?
O27 S5' C37 103.4(18) . . ?
O27 S5' C38 108.9(17) . . ?
C37 S5' C38 110.0(17) . . ?
C5 N1 C1 122(2) . . ?
C5 N1 Ag1 122.2(15) . . ?
C1 N1 Ag1 115.8(16) . . ?
C6 N2 C9 118.8(18) . . ?
C6 N2 Ag1 107.5(15) . . ?
C9 N2 Ag1 121.4(13) . . ?
C9 N3 C8 118.6(19) . . ?
C9 N3 Ag1 124.1(14) . 2_676 ?
C8 N3 Ag1 104.3(13) . 2_676 ?
C14 N4 C10 123.0(19) . . ?
C14 N4 Ag1 122.7(15) . 2_676 ?
C10 N4 Ag1 114.2(13) . 2_676 ?
C9 N5 H5A 120.0 . . ?
C9 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C19 N6 C15 118(2) . . ?
C19 N6 Ag2 122.7(18) . . ?
C15 N6 Ag2 119.6(16) . . ?
C23 N7 C20 117.6(18) . . ?
C23 N7 Ag2 124.3(15) . . ?
C20 N7 Ag2 104.8(14) . . ?
C23 N8 C22 119(2) . . ?
C23 N8 Ag2 125.2(16) . 2_756 ?
C22 N8 Ag2 103.9(14) . 2_756 ?
C28 N9 C24 117(2) . . ?
C28 N9 Ag2 121.4(17) . 2_756 ?
C24 N9 Ag2 120.7(14) . 2_756 ?
C23 N10 H10A 120.0 . . ?
C23 N10 H10B 120.0 . . ?
H10A N10 H10B 120.0 . . ?
Si1 O1 W5 125.3(14) . 2_665 ?
Si1 O1 W2 120.7(14) . . ?
W5 O1 W2 97.1(10) 2_665 . ?
Si1 O1 W1 117.7(14) . . ?
W5 O1 W1 95.1(10) 2_665 . ?
W2 O1 W1 93.8(9) . . ?
Si1 O2 W1 122.0(16) . . ?
Si1 O2 W6 120.6(15) . . ?
W1 O2 W6 96.5(10) . . ?
Si1 O2 W3 120.4(14) . 2_665 ?
W1 O2 W3 95.9(11) . 2_665 ?
W6 O2 W3 95.1(11) . 2_665 ?
Si1 O3 O4 57.4(13) . . ?
Si1 O3 W4 124.1(17) . . ?
O4 O3 W4 66.7(13) . . ?
Si1 O3 W5 121.7(16) . . ?
O4 O3 W5 132.5(17) . . ?
W4 O3 W5 95.3(11) . . ?
Si1 O3 W6 119.7(15) . . ?
O4 O3 W6 130.0(18) . . ?
W4 O3 W6 95.2(10) . . ?
W5 O3 W6 93.6(11) . . ?
Si1 O4 O3 55.4(13) . . ?
Si1 O4 W4 123.5(15) . . ?
O3 O4 W4 68.1(13) . . ?
Si1 O4 W3 120.6(13) . . ?
O3 O4 W3 132.1(17) . . ?
W4 O4 W3 96.1(10) . . ?
Si1 O4 W2 119.5(14) . . ?
O3 O4 W2 130.9(16) . . ?
W4 O4 W2 96.2(9) . . ?
W3 O4 W2 94.4(10) . . ?
W3 O6 W1 135.3(10) 2_665 . ?
W6 O7 W1 135.2(9) . . ?
W2 O8 W1 139.7(9) . . ?
W3 O10 W2 136.5(10) . . ?
W4 O11 W2 140.7(9) . . ?
W4 O13 W3 138.9(9) . . ?
W4 O15 W5 137.7(9) . . ?
W6 O16 W4 139.2(9) . . ?
W5 O18 W2 138.6(11) . 2_665 ?
W5 O19 W1 136.8(9) . 2_665 ?
W6 O20 W5 140.7(11) . . ?
W6 O22 W3 136.8(11) . 2_665 ?
S4 O26 S4' 51.9(19) . . ?
S5 O27 S5' 41.8(12) . . ?
H28C O28 H28D 108.2 . . ?
H28C O28 H28B 109.8 . . ?
H28D O28 H28B 109.8 . . ?
H29F O29 H29G 108.3 . . ?
N1 C1 C2 117(2) . . ?
N1 C1 C6 119.1(19) . . ?
C2 C1 C6 124.1(19) . . ?
C3 C2 C1 119(2) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 122(2) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C3 C4 C5 114(2) . . ?
C3 C4 H4 122.9 . . ?
C5 C4 H4 122.9 . . ?
N1 C5 C4 126(2) . . ?
N1 C5 H5 117.0 . . ?
C4 C5 H5 117.0 . . ?
N2 C6 C7 123(2) . . ?
N2 C6 C1 118.0(19) . . ?
C7 C6 C1 119(2) . . ?
C8 C7 C6 115(2) . . ?
C8 C7 H7 122.4 . . ?
C6 C7 H7 122.4 . . ?
N3 C8 C7 120.3(18) . . ?
N3 C8 C10 116.7(19) . . ?
C7 C8 C10 123.0(19) . . ?
N5 C9 N3 119(2) . . ?
N5 C9 N2 118.4(18) . . ?
N3 C9 N2 123(2) . . ?
N4 C10 C11 116.7(19) . . ?
N4 C10 C8 120.7(19) . . ?
C11 C10 C8 123(2) . . ?
C12 C11 C10 123(2) . . ?
C12 C11 H11 118.3 . . ?
C10 C11 H11 118.3 . . ?
C11 C12 C13 117(2) . . ?
C11 C12 H12 121.7 . . ?
C13 C12 H12 121.7 . . ?
C14 C13 C12 120(2) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
N4 C14 C13 120(2) . . ?
N4 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
N6 C15 C16 123(2) . . ?
N6 C15 C20 118(2) . . ?
C16 C15 C20 119(2) . . ?
C15 C16 C17 117(2) . . ?
C15 C16 H16 121.5 . . ?
C17 C16 H16 121.5 . . ?
C18 C17 C16 120(3) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 118(3) . . ?
C17 C18 H18 120.9 . . ?
C19 C18 H18 120.9 . . ?
N6 C19 C18 123(3) . . ?
N6 C19 H19 118.4 . . ?
C18 C19 H19 118.5 . . ?
C21 C20 N7 121(2) . . ?
C21 C20 C15 125(2) . . ?
N7 C20 C15 114.0(19) . . ?
C20 C21 C22 118(2) . . ?
C20 C21 H21 121.0 . . ?
C22 C21 H21 121.0 . . ?
N8 C22 C21 122(2) . . ?
N8 C22 C24 116(2) . . ?
C21 C22 C24 122(2) . . ?
N8 C23 N10 120(2) . . ?
N8 C23 N7 123(2) . . ?
N10 C23 N7 117(2) . . ?
N9 C24 C25 125(2) . . ?
N9 C24 C22 115.9(19) . . ?
C25 C24 C22 119(2) . . ?
C24 C25 C26 119(2) . . ?
C24 C25 H25 120.4 . . ?
C26 C25 H25 120.4 . . ?
C25 C26 C27 118(3) . . ?
C25 C26 H26 121.1 . . ?
C27 C26 H26 121.1 . . ?
C26 C27 C28 118(2) . . ?
C26 C27 H27 121.2 . . ?
C28 C27 H27 121.2 . . ?
N9 C28 C27 124(2) . . ?
N9 C28 H28 118.0 . . ?
C27 C28 H28 118.0 . . ?
S1 C29 H29A 109.5 . . ?
S1 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
S1 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
S1 C30 H30A 109.5 . . ?
S1 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
S1 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
S2 C31 H31A 109.5 . . ?
S2 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
S2 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
S2 C32 H32A 109.5 . . ?
S2 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
S2 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
S3 C33 H33A 109.5 . . ?
S3 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
S3 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
S3 C34 H34A 109.5 . . ?
S3 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
S3 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
S4 C35 S4' 41.6(19) . . ?
S4 C35 H35A 109.5 . . ?
S4' C35 H35A 68.6 . . ?
S4 C35 H35B 109.5 . . ?
S4' C35 H35B 117.1 . . ?
H35A C35 H35B 109.5 . . ?
S4 C35 H35C 109.5 . . ?
S4' C35 H35C 131.1 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
S4 C35 H35D 143.1 . . ?
S4' C35 H35D 102.4 . . ?
H35A C35 H35D 33.9 . . ?
H35B C35 H35D 93.4 . . ?
H35C C35 H35D 88.3 . . ?
S4 C35 H35E 97.7 . . ?
S4' C35 H35E 116.5 . . ?
H35A C35 H35E 126.0 . . ?
H35B C35 H35E 16.9 . . ?
H35C C35 H35E 103.6 . . ?
H35D C35 H35E 109.5 . . ?
S4 C35 H35F 83.1 . . ?
S4' C35 H35F 109.2 . . ?
H35A C35 H35F 119.2 . . ?
H35B C35 H35F 121.8 . . ?
H35C C35 H35F 26.4 . . ?
H35D C35 H35F 109.5 . . ?
H35E C35 H35F 109.5 . . ?
S4' C36 S4 41.5(19) . . ?
S4' C36 H36A 135.2 . . ?
S4 C36 H36A 109.5 . . ?
S4' C36 H36B 69.7 . . ?
S4 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
S4' C36 H36C 112.7 . . ?
S4 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
S4' C36 H36D 111.8 . . ?
S4 C36 H36D 93.6 . . ?
H36A C36 H36D 23.7 . . ?
H36B C36 H36D 100.1 . . ?
H36C C36 H36D 132.7 . . ?
S4' C36 H36E 101.2 . . ?
S4 C36 H36E 142.4 . . ?
H36A C36 H36E 102.6 . . ?
H36B C36 H36E 39.0 . . ?
H36C C36 H36E 76.5 . . ?
H36D C36 H36E 109.5 . . ?
S4' C36 H36F 115.0 . . ?
S4 C36 H36F 89.0 . . ?
H36A C36 H36F 91.7 . . ?
H36B C36 H36F 144.1 . . ?
H36C C36 H36F 34.7 . . ?
H36D C36 H36F 109.5 . . ?
H36E C36 H36F 109.5 . . ?
S5' C37 S5 37.4(9) . . ?
S5' C37 H37A 72.3 . . ?
S5 C37 H37A 109.5 . . ?
S5' C37 H37B 127.2 . . ?
S5 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
S5' C37 H37C 119.6 . . ?
S5 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
S5' C37 H37D 112.5 . . ?
S5 C37 H37D 139.1 . . ?
H37A C37 H37D 58.0 . . ?
H37B C37 H37D 111.4 . . ?
H37C C37 H37D 53.8 . . ?
S5' C37 H37E 107.0 . . ?
S5 C37 H37E 107.2 . . ?
H37A C37 H37E 83.8 . . ?
H37B C37 H37E 29.2 . . ?
H37C C37 H37E 133.4 . . ?
H37D C37 H37E 109.5 . . ?
S5' C37 H37F 108.8 . . ?
S5 C37 H37F 74.0 . . ?
H37A C37 H37F 165.1 . . ?
H37B C37 H37F 82.0 . . ?
H37C C37 H37F 56.5 . . ?
H37D C37 H37F 109.5 . . ?
H37E C37 H37F 109.5 . . ?
S5 C38 S5' 37.2(9) . . ?
S5 C38 H38A 109.5 . . ?
S5' C38 H38A 144.1 . . ?
S5 C38 H38B 109.5 . . ?
S5' C38 H38B 98.1 . . ?
H38A C38 H38B 109.5 . . ?
S5 C38 H38C 109.5 . . ?
S5' C38 H38C 81.1 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
S5 C38 H38D 117.6 . . ?
S5' C38 H38D 109.5 . . ?
H38A C38 H38D 98.5 . . ?
H38B C38 H38D 11.5 . . ?
H38C C38 H38D 111.7 . . ?
S5 C38 H38E 128.1 . . ?
S5' C38 H38E 107.4 . . ?
H38A C38 H38E 82.9 . . ?
H38B C38 H38E 113.1 . . ?
H38C C38 H38E 27.7 . . ?
H38D C38 H38E 109.5 . . ?
S5 C38 H38F 74.9 . . ?
S5' C38 H38F 111.5 . . ?
H38A C38 H38F 35.2 . . ?
H38B C38 H38F 116.5 . . ?
H38C C38 H38F 129.1 . . ?
H38D C38 H38F 109.5 . . ?
H38E C38 H38F 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N4 2.244(18) 2_676 ?
Ag1 N1 2.28(2) . ?
Ag1 N3 2.487(18) 2_676 ?
Ag1 N2 2.537(17) . ?
Ag2 N9 2.189(19) 2_756 ?
Ag2 N6 2.20(2) . ?
Ag2 N7 2.544(19) . ?
Ag2 N8 2.57(2) 2_756 ?
W1 O5 1.633(16) . ?
W1 O19 1.906(16) 2_665 ?
W1 O8 1.920(16) . ?
W1 O6 1.921(16) . ?
W1 O7 1.945(17) . ?
W1 O2 2.37(3) . ?
W1 O1 2.45(3) . ?
W2 O9 1.675(16) . ?
W2 O8 1.847(17) . ?
W2 O11 1.885(17) . ?
W2 O10 1.915(16) . ?
W2 O18 1.925(17) 2_665 ?
W2 O1 2.39(3) . ?
W2 O4 2.42(3) . ?
W3 O12 1.606(17) . ?
W3 O10 1.887(18) . ?
W3 O13 1.907(16) . ?
W3 O6 1.908(18) 2_665 ?
W3 O22 1.918(17) 2_665 ?
W3 O4 2.39(3) . ?
W3 O2 2.40(3) 2_665 ?
W4 O14 1.675(15) . ?
W4 O13 1.856(16) . ?
W4 O15 1.857(19) . ?
W4 O11 1.877(18) . ?
W4 O16 1.907(17) . ?
W4 O4 2.34(3) . ?
W4 O3 2.37(3) . ?
W5 O17 1.70(2) . ?
W5 O18 1.857(17) . ?
W5 O19 1.885(15) . ?
W5 O15 1.938(17) . ?
W5 O20 1.945(17) . ?
W5 O1 2.33(3) 2_665 ?
W5 O3 2.42(3) . ?
W6 O21 1.698(15) . ?
W6 O20 1.812(18) . ?
W6 O16 1.870(16) . ?
W6 O22 1.876(16) . ?
W6 O7 1.888(18) . ?
W6 O2 2.38(3) . ?
W6 O3 2.43(3) . ?
Si1 O3 1.62(3) . ?
Si1 O3 1.62(3) 2_665 ?
Si1 O2 1.65(3) . ?
Si1 O2 1.65(3) 2_665 ?
Si1 O4 1.65(3) . ?
Si1 O4 1.65(3) 2_665 ?
Si1 O1 1.65(3) . ?
Si1 O1 1.65(3) 2_665 ?
S1 O23 1.476(18) . ?
S1 C29 1.74(3) . ?
S1 C30 1.78(3) . ?
S2 O24 1.53(2) . ?
S2 C32 1.69(4) . ?
S2 C31 1.77(3) . ?
S3 O25 1.429(19) . ?
S3 C34 1.74(4) . ?
S3 C33 1.81(4) . ?
S4 O26 1.46(3) . ?
S4 C35 1.800(9) . ?
S4 C36 1.808(9) . ?
S5 O27 1.53(3) . ?
S5 C37 1.795(9) . ?
S5 C38 1.798(9) . ?
S5 H37F 1.7867 . ?
S5 H38F 1.8039 . ?
S4' O26 1.46(6) . ?
S4' C36 1.799(10) . ?
S4' C35 1.801(10) . ?
S4' H29G 1.5150 . ?
S5' O27 1.67(3) . ?
S5' C37 1.789(9) . ?
S5' C38 1.799(9) . ?
N1 C5 1.25(3) . ?
N1 C1 1.34(3) . ?
N2 C6 1.25(3) . ?
N2 C9 1.36(3) . ?
N3 C9 1.34(2) . ?
N3 C8 1.37(2) . ?
N3 Ag1 2.487(18) 2_676 ?
N4 C14 1.36(3) . ?
N4 C10 1.36(3) . ?
N4 Ag1 2.244(18) 2_676 ?
N5 C9 1.32(3) . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
N6 C19 1.36(3) . ?
N6 C15 1.37(3) . ?
N7 C23 1.37(3) . ?
N7 C20 1.39(3) . ?
N8 C23 1.30(3) . ?
N8 C22 1.35(3) . ?
N8 Ag2 2.566(19) 2_756 ?
N9 C28 1.32(3) . ?
N9 C24 1.34(3) . ?
N9 Ag2 2.189(19) 2_756 ?
N10 C23 1.35(3) . ?
N10 H10A 0.8600 . ?
N10 H10B 0.8600 . ?
O1 W5 2.33(3) 2_665 ?
O2 W3 2.40(3) 2_665 ?
O3 O4 1.81(4) . ?
O6 W3 1.908(17) 2_665 ?
O18 W2 1.925(17) 2_665 ?
O19 W1 1.906(16) 2_665 ?
O22 W3 1.918(17) 2_665 ?
O28 H28C 0.8500 . ?
O28 H28D 0.8500 . ?
O28 H28B 0.8500 . ?
O29 H29F 0.8500 . ?
O29 H29G 0.8501 . ?
C1 C2 1.45(3) . ?
C1 C6 1.51(3) . ?
C2 C3 1.34(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.38(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.39(3) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.45(3) . ?
C7 C8 1.38(3) . ?
C7 H7 0.9300 . ?
C8 C10 1.41(3) . ?
C10 C11 1.41(3) . ?
C11 C12 1.40(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.42(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.39(3) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.40(3) . ?
C15 C20 1.47(3) . ?
C16 C17 1.45(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.38(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.40(4) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.33(3) . ?
C21 C22 1.40(3) . ?
C21 H21 0.9300 . ?
C22 C24 1.56(3) . ?
C24 C25 1.36(3) . ?
C25 C26 1.39(3) . ?
C25 H25 0.9300 . ?
C26 C27 1.40(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.41(3) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C35 H35D 0.9599 . ?
C35 H35E 0.9599 . ?
C35 H35F 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C36 H36D 0.9600 . ?
C36 H36E 0.9600 . ?
C36 H36F 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C37 H37D 0.9601 . ?
C37 H37E 0.9600 . ?
C37 H37F 0.9601 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C38 H38D 0.9600 . ?
C38 H38E 0.9601 . ?
C38 H38F 0.9600 . ?
