# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1060863'
loop_
_audit_author_name
_audit_author_address
'Konstantin Domasevitch'
;Taras Shevchenko National University of Kyiv
Ukraine
;
_audit_update_record             
;
2021-07-20 deposited with the CCDC.	2022-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'poly[[tetrakis[2-(1,2,4-triazol-4-yl)acetato)]tetrasilver(I)] dihydrate]]'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H16 Ag4 N12 O8, 2(H2 O)'
_chemical_formula_sum            'C16 H20 Ag4 N12 O10'
_chemical_formula_weight         971.92

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.2514(2)
_cell_length_b                   7.4533(3)
_cell_length_c                   12.9171(4)
_cell_angle_alpha                78.290(2)
_cell_angle_beta                 81.497(3)
_cell_angle_gamma                71.575(2)
_cell_volume                     645.92(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    11151
_cell_measurement_theta_min      2.921
_cell_measurement_theta_max      28.326

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.499
_exptl_crystal_F_000             468
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    3.065
_shelx_estimated_absorpt_T_min   0.552
_shelx_estimated_absorpt_T_max   0.594
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6512
_exptl_absorpt_correction_T_max  0.7210
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'


_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX2 area-detector diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_number            11151
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.921
_diffrn_reflns_theta_max         28.326
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3202
_reflns_number_gt                2714
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;


_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 2.1e (Brandenburg, 1999)'
_computing_publication_material  'WinGX 1.70.01 (Farrugia, 1999)'

#------------------------------- Refinement data-----------------------#  


_refine_special_details          
;
The refinement was standard. All non-hydrogen atoms were refined 
anisotropically. The hydrogen atoms of water molecule were located in a 
difference map and then refined with fixed bond lengths at 
O---H = 0.85 Å and Uiso(H) = 1.5Ueq(O).
CH hydrogen atoms were positioned with idealized geometry and were 
refined with triazole C---H = 0.93 Å and methylene C---H = 0.97 Å 
and Uiso(H) = 1.2Ueq(C-atom).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0211P)²+0.1011P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3202
_refine_ls_number_parameters     190
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0232
_refine_ls_wR_factor_ref         0.0559
_refine_ls_wR_factor_gt          0.0530
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.09930(3) 0.23174(3) 0.20130(2) 0.03709(7) Uani 1 1 d . . . . .
Ag2 Ag 0.32916(3) 0.44213(3) -0.03688(2) 0.03027(7) Uani 1 1 d . . . . .
O1 O 1.1723(2) -0.4234(3) 0.12048(15) 0.0347(4) Uani 1 1 d . . . . .
O2 O 0.9497(3) -0.2654(3) 0.00794(14) 0.0334(4) Uani 1 1 d . . . . .
O3 O -0.7268(4) 0.1399(4) 0.39957(19) 0.0694(9) Uani 1 1 d . . . . .
O4 O -0.8139(4) 0.1899(4) 0.56633(18) 0.0605(7) Uani 1 1 d . . . . .
N1 N 0.4035(3) 0.0998(3) 0.15747(17) 0.0316(5) Uani 1 1 d . . . . .
N2 N 0.4956(3) 0.1741(3) 0.06562(16) 0.0256(4) Uani 1 1 d . . . . .
N3 N 0.7136(3) -0.0566(3) 0.15346(16) 0.0244(4) Uani 1 1 d . . . . .
N4 N -0.2024(3) 0.3106(3) 0.26272(17) 0.0301(5) Uani 1 1 d . . . . .
N5 N -0.3541(3) 0.4323(3) 0.20679(16) 0.0269(4) Uani 1 1 d . . . . .
N6 N -0.4673(3) 0.3530(3) 0.36978(16) 0.0249(4) Uani 1 1 d . . . . .
C1 C 0.5370(4) -0.0375(4) 0.2084(2) 0.0353(6) Uani 1 1 d . . . . .
H1 H 0.5136 -0.1115 0.2732 0.042 Uiso 1 1 calc R U . . .
C2 C 0.6796(3) 0.0770(3) 0.0658(2) 0.0267(5) Uani 1 1 d . . . . .
H2 H 0.7751 0.0975 0.0122 0.032 Uiso 1 1 calc R U . . .
C3 C 0.9008(3) -0.1928(4) 0.1837(2) 0.0289(6) Uani 1 1 d . . . . .
H3A H 0.8770 -0.2834 0.2457 0.035 Uiso 1 1 calc R U . . .
H3B H 0.9799 -0.1234 0.2030 0.035 Uiso 1 1 calc R U . . .
C4 C 1.0144(3) -0.3035(3) 0.09508(19) 0.0229(5) Uani 1 1 d . . . . .
C5 C -0.2745(4) 0.2657(4) 0.3595(2) 0.0339(6) Uani 1 1 d . . . . .
H5 H -0.2026 0.1846 0.4138 0.041 Uiso 1 1 calc R U . . .
C6 C -0.5111(3) 0.4543(4) 0.2734(2) 0.0299(6) Uani 1 1 d . . . . .
H6 H -0.6355 0.5294 0.2564 0.036 Uiso 1 1 calc R U . . .
C7 C -0.5998(4) 0.3445(4) 0.4675(2) 0.0305(6) Uani 1 1 d . . . . .
H7A H -0.6857 0.4729 0.4718 0.037 Uiso 1 1 calc R U . . .
H7B H -0.5224 0.3046 0.5278 0.037 Uiso 1 1 calc R U . . .
C8 C -0.7243(4) 0.2115(4) 0.4771(2) 0.0351(6) Uani 1 1 d . . . . .
O1W O 0.1898(3) 0.8219(3) 0.37772(19) 0.0541(6) Uani 1 1 d . . . . .
H1W H 0.0842 0.7964 0.4031 0.081 Uiso 1 1 d R U . . .
H2W H 0.1849 0.9289 0.3932 0.081 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.150(2) . ?
Ag1 N1 2.154(2) . ?
Ag1 O1 2.754(2) 1_465 ?
Ag1 O3 2.884(3) 1_655 ?
Ag2 N5 2.209(2) 2_565 ?
Ag2 N2 2.253(2) . ?
Ag2 O1 2.4191(18) 1_465 ?
Ag2 O2 2.6877(19) 2_655 ?
Ag2 Ag2 3.1897(4) 2_665 ?
O1 C4 1.250(3) . ?
O2 C4 1.229(3) . ?
O3 C8 1.231(3) . ?
O4 C8 1.243(3) . ?
N1 C1 1.306(3) . ?
N1 N2 1.376(3) . ?
N2 C2 1.301(3) . ?
N3 C2 1.343(3) . ?
N3 C1 1.349(3) . ?
N3 C3 1.466(3) . ?
N4 C5 1.302(3) . ?
N4 N5 1.376(3) . ?
N5 C6 1.309(3) . ?
N6 C5 1.342(3) . ?
N6 C6 1.343(3) . ?
N6 C7 1.472(3) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 C4 1.531(3) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.515(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
O1W H1W 0.8500 . ?
O1W H2W 0.8500 . ?

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 169.04(9) . . ?
N4 Ag1 O1 104.33(7) . 1_465 ?
N1 Ag1 O1 86.27(7) . 1_465 ?
N4 Ag1 O3 98.41(7) . 1_655 ?
N1 Ag1 O3 76.66(8) . 1_655 ?
O1 Ag1 O3 99.93(6) 1_465 1_655 ?
N5 Ag2 N2 135.16(7) 2_565 . ?
N5 Ag2 O1 132.99(7) 2_565 1_465 ?
N2 Ag2 O1 89.98(7) . 1_465 ?
N5 Ag2 O2 107.33(7) 2_565 2_655 ?
N2 Ag2 O2 84.09(7) . 2_655 ?
O1 Ag2 O2 86.16(6) 1_465 2_655 ?
N5 Ag2 Ag2 98.45(5) 2_565 2_665 ?
N2 Ag2 Ag2 75.54(5) . 2_665 ?
O1 Ag2 Ag2 78.10(4) 1_465 2_665 ?
O2 Ag2 Ag2 154.08(4) 2_655 2_665 ?
C4 O1 Ag2 106.53(16) . 1_645 ?
C1 N1 N2 107.2(2) . . ?
C1 N1 Ag1 131.81(18) . . ?
N2 N1 Ag1 120.62(15) . . ?
C2 N2 N1 106.5(2) . . ?
C2 N2 Ag2 133.22(17) . . ?
N1 N2 Ag2 119.62(14) . . ?
C2 N3 C1 104.7(2) . . ?
C2 N3 C3 127.9(2) . . ?
C1 N3 C3 127.4(2) . . ?
C5 N4 N5 107.33(19) . . ?
C5 N4 Ag1 127.44(17) . . ?
N5 N4 Ag1 125.05(15) . . ?
C6 N5 N4 106.5(2) . . ?
C6 N5 Ag2 128.10(17) . 2_565 ?
N4 N5 Ag2 125.35(15) . 2_565 ?
C5 N6 C6 105.4(2) . . ?
C5 N6 C7 126.9(2) . . ?
C6 N6 C7 127.7(2) . . ?
N1 C1 N3 110.4(2) . . ?
N1 C1 H1 124.8 . . ?
N3 C1 H1 124.8 . . ?
N2 C2 N3 111.2(2) . . ?
N2 C2 H2 124.4 . . ?
N3 C2 H2 124.4 . . ?
N3 C3 C4 113.1(2) . . ?
N3 C3 H3A 109.0 . . ?
C4 C3 H3A 109.0 . . ?
N3 C3 H3B 109.0 . . ?
C4 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
O2 C4 O1 126.6(2) . . ?
O2 C4 C3 119.6(2) . . ?
O1 C4 C3 113.8(2) . . ?
N4 C5 N6 110.3(2) . . ?
N4 C5 H5 124.8 . . ?
N6 C5 H5 124.8 . . ?
N5 C6 N6 110.4(2) . . ?
N5 C6 H6 124.8 . . ?
N6 C6 H6 124.8 . . ?
N6 C7 C8 115.6(2) . . ?
N6 C7 H7A 108.4 . . ?
C8 C7 H7A 108.4 . . ?
N6 C7 H7B 108.4 . . ?
C8 C7 H7B 108.4 . . ?
H7A C7 H7B 107.4 . . ?
O3 C8 O4 128.1(3) . . ?
O3 C8 C7 118.8(2) . . ?
O4 C8 C7 113.1(2) . . ?
H1W O1W H2W 108.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 N1 N2 C2 0.3(3) . . . . ?
Ag1 N1 N2 C2 173.99(17) . . . . ?
C1 N1 N2 Ag2 -171.60(18) . . . . ?
Ag1 N1 N2 Ag2 2.1(3) . . . . ?
C5 N4 N5 C6 -0.1(3) . . . . ?
Ag1 N4 N5 C6 -175.63(18) . . . . ?
C5 N4 N5 Ag2 -179.20(18) . . . 2_565 ?
Ag1 N4 N5 Ag2 5.3(3) . . . 2_565 ?
N2 N1 C1 N3 -0.1(3) . . . . ?
Ag1 N1 C1 N3 -172.79(18) . . . . ?
C2 N3 C1 N1 -0.2(3) . . . . ?
C3 N3 C1 N1 179.5(2) . . . . ?
N1 N2 C2 N3 -0.4(3) . . . . ?
Ag2 N2 C2 N3 169.92(16) . . . . ?
C1 N3 C2 N2 0.4(3) . . . . ?
C3 N3 C2 N2 -179.3(2) . . . . ?
C2 N3 C3 C4 -50.4(3) . . . . ?
C1 N3 C3 C4 130.0(3) . . . . ?
Ag2 O1 C4 O2 1.7(3) 1_645 . . . ?
Ag2 O1 C4 C3 -175.94(17) 1_645 . . . ?
N3 C3 C4 O2 3.7(4) . . . . ?
N3 C3 C4 O1 -178.4(2) . . . . ?
N5 N4 C5 N6 -0.2(3) . . . . ?
Ag1 N4 C5 N6 175.25(17) . . . . ?
C6 N6 C5 N4 0.3(3) . . . . ?
C7 N6 C5 N4 -177.6(2) . . . . ?
N4 N5 C6 N6 0.3(3) . . . . ?
Ag2 N5 C6 N6 179.37(16) 2_565 . . . ?
C5 N6 C6 N5 -0.4(3) . . . . ?
C7 N6 C6 N5 177.5(2) . . . . ?
C5 N6 C7 C8 -101.9(3) . . . . ?
C6 N6 C7 C8 80.6(3) . . . . ?
N6 C7 C8 O3 -9.2(4) . . . . ?
N6 C7 C8 O4 171.0(3) . . . . ?


#--------------------Hydrogen bonding scheme-----------------------------# 

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag

#
# Hydrogen bonding scheme
# ======== ======= ======
#
#  D     H     A      D-H      H...A     D...A        D-H...A    symm   publ
#  -     -     -      ---      -----     -----        -------    ----   ----

O1W H1W O4 0.85 1.92 2.739(3) 163 2_466 yes
O1W H2W O3 0.85 1.90 2.700(3) 157 1_665 yes
C1 H1 O3 0.93 2.75 3.136(3) 106 1_655 yes
C1 H1 O1W 0.93 2.67 3.366(3) 133 1_545 yes
C2 H2 O1 0.93 2.77 3.475(3) 133 2_755 yes
C2 H2 O2 0.93 2.63 3.345(3) 134 2_755 yes
C3 H3A O4 0.97 2.60 3.200(3) 120 2_556 yes
C3 H3B O1W 0.97 2.80 3.535(3) 133 1_645 yes
C5 H5 O1W 0.93 2.70 3.434(4) 136 2_566 yes
C5 H5 O4 0.93 2.72 3.216(4) 115 2_456 yes
C6 H6 O1W 0.93 2.80 3.302(3) 115 1_455 yes
C6 H6 O1 0.93 2.30 3.048(3) 137 1_365 yes
C7 H7A O1W 0.97 2.57 3.427(4) 147 1_455 yes
C7 H7B O1W 0.97 2.68 3.577(4) 155 2_566 yes


_refine_diff_density_max         0.450
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.090


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 2097985'
loop_
_audit_author_name
_audit_author_address
'Konstantin Domasevitch'
;Taras Shevchenko National University of Kyiv
Ukraine
;
_audit_update_record             
;
2021-07-20 deposited with the CCDC.	2022-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
;
poly[[tetrakis[2-(1,2,4-triazol-4-yl)acetato)]-bis(Nitrato)]-aqua-
tetrasilver(I)] aquadioxouranium(VI) Trihydrate] 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H20 Ag4 N14 O18 U, 3(H2 O)'
_chemical_formula_sum            'C16 H26 Ag4 N14 O21 U'
_chemical_formula_weight         1420.02

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P c'
_space_group_name_Hall           'P -2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'

_cell_length_a                   11.8427(10)
_cell_length_b                   16.4538(10)
_cell_length_c                   9.0590(8)
_cell_angle_alpha                90
_cell_angle_beta                 92.905(7)
_cell_angle_gamma                90
_cell_volume                     1762.9(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    11269
_cell_measurement_theta_min      2.121
_cell_measurement_theta_max      27.303

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.675
_exptl_crystal_F_000             1336
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    6.863
_shelx_estimated_absorpt_T_min   0.301
_shelx_estimated_absorpt_T_max   0.371
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.1392
_exptl_absorpt_correction_T_max  0.2017
_exptl_absorpt_process_details   
'X-RED (Stoe & Cie, 2001) and X-SHAPE (Stoe & Cie, 1999)'

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Stoe Image Plate Diffraction System-2T'
_diffrn_measurement_method       'φ oscillation scans'
_diffrn_reflns_number            11269
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.121
_diffrn_reflns_theta_max         27.303
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.818
_diffrn_reflns_point_group_measured_fraction_full 0.837
_reflns_number_total             6495
_reflns_number_gt                5854
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.644
_reflns_Friedel_fraction_max     0.643
_reflns_Friedel_fraction_full    0.677

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'IPDS Software (Stoe & Cie, 2000)'
_computing_cell_refinement       'IPDS Software (Stoe & Cie, 2000)'
_computing_data_reduction        'IPDS Software (Stoe & Cie, 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 2.1e (Brandenburg, 1999)'
_computing_publication_material  'WinGX 1.70.01 (Farrugia, 1999)'

#------------------------------- Refinement data-----------------------#


_refine_special_details          
;
Refinement of the structure was associated with a problem of 
pseudosymmetry. The lattice (pseudo) centering was detected by the 
ADDSYM test in Platon:

PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem A  92 %Fit  

We have checked refinement of the crystal structure in the C-centered 
monoclinic space groups as well as in the corresponding triclinic cell 
of twice lower volume. Indeed, the structure was readily solved in the 
space group Cm and then refined to satisfactory convergence factors of  
R1, wR2 [>2sigma(I)] = 0.0282, 0.0753.

However, unlike the completely ordered model found for primitive 
lattice, refinement in Cm invoked a disorder. First, all solvate water 
molecules were disordered and their anisotropic refinement was impossible. 
Second, the aqua ligand coordinated to U1 atom was disordered by symmetry 
(mirror plane) over two closely separated positions [O1W...O1W (x, 2-y, z) 
= 1.22 Å]. For the organic portion of the structure, the possible 
disorder was indicated by very high anisotropy of the thermal motion, 
in particular for the every ---CH₂COO linkage. This is best illustrated 
by very deficient shapes of the thermal ellipsoids. As well, refinement 
in Cm led to a lower bond precision. Although positions of heavy atoms 
exactly follow symmetry of this space group, the subtle features for the 
orientation of the organic ligands and solvate molecules lower symmetry 
of the strucutre. Therefore, the structure was refined in space group Pc, 
which allows complete elimination of the disorder and unrealistic thermal 
motion parameters.  

All non-hydrogen atoms were refined anisotropically. CH hydrogen atoms 
were positioned with idealized geometry and were refined with triazole 
C---H = 0.95 Å and methylene C-H = 0.99 Å and Uiso(H) = 
1.2Ueq(C-atom). Hydrogen atoms of water molecules were positioned in 
positions to generate favourable hydrogen bonding as much as possible 
and then refined as riding, with Uiso(H) = 1.5Ueq(O) and with O---H = 
0.85 Å. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0467P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0044(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.002(4)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         6495
_refine_ls_number_parameters     506
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0258
_refine_ls_wR_factor_ref         0.0668
_refine_ls_wR_factor_gt          0.0658
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_restrained_S_all      0.988
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.55415(2) 0.75011(2) 0.39121(4) 0.01959(9) Uani 1 1 d . . . . .
Ag1 Ag 0.03476(5) 0.41943(4) -0.08518(9) 0.0327(2) Uani 1 1 d . . . . .
Ag2 Ag 0.23053(6) 0.25577(4) 0.05261(10) 0.0337(2) Uani 1 1 d . . . . .
Ag3 Ag 0.02449(5) 0.08500(4) -0.04956(9) 0.0319(2) Uani 1 1 d . . . . .
Ag4 Ag -0.14486(6) 0.24181(4) -0.30882(9) 0.02971(17) Uani 1 1 d . . . . .
O1 O 0.5498(5) 0.6336(3) 0.2491(7) 0.0281(13) Uani 1 1 d . . . . .
O2 O 0.4792(6) 0.5603(4) 0.0590(8) 0.0378(16) Uani 1 1 d . . . . .
O3 O 0.5368(5) -0.1116(4) 0.3419(7) 0.0287(13) Uani 1 1 d . . . . .
O4 O 0.4688(7) -0.0611(5) 0.1275(8) 0.0473(19) Uani 1 1 d . . . . .
O5 O -0.4371(5) -0.1811(3) -0.3728(6) 0.0254(11) Uani 1 1 d . . . . .
O6 O -0.3963(7) -0.0974(4) -0.1838(8) 0.0465(18) Uani 1 1 d . . . . .
O7 O -0.4426(5) 0.6479(3) -0.4330(7) 0.0253(12) Uani 1 1 d . . . . .
O8 O -0.3739(6) 0.5772(4) -0.2387(8) 0.0366(15) Uani 1 1 d . . . . .
O9 O 0.4038(6) 0.7482(4) 0.3877(9) 0.0325(17) Uani 1 1 d . . . . .
O10 O 0.7047(5) 0.7514(3) 0.4021(8) 0.0277(15) Uani 1 1 d . . . . .
O11 O 0.1678(5) 0.3108(4) -0.2190(9) 0.0383(15) Uani 1 1 d . . . . .
O12 O 0.1632(6) 0.1798(4) -0.2212(9) 0.0406(16) Uani 1 1 d . . . . .
O13 O 0.0723(8) 0.2471(4) -0.3924(11) 0.054(2) Uani 1 1 d . . . . .
O14 O -0.0101(7) 0.2530(5) -0.0304(10) 0.053(2) Uani 1 1 d . . . . .
O15 O -0.0871(10) 0.3177(6) 0.1440(13) 0.087(4) Uani 1 1 d . . . . .
O16 O -0.0702(7) 0.1876(5) 0.1532(11) 0.061(2) Uani 1 1 d . . . . .
N1 N 0.1764(6) 0.4445(4) 0.0658(9) 0.0282(17) Uani 1 1 d . . . . .
N2 N 0.2430(6) 0.3824(4) 0.1271(9) 0.0287(17) Uani 1 1 d . . . . .
N3 N 0.3078(6) 0.4991(4) 0.2142(9) 0.0244(15) Uani 1 1 d . . . . .
N4 N 0.2412(6) 0.1332(4) 0.1461(9) 0.0271(16) Uani 1 1 d . . . . .
N5 N 0.1709(6) 0.0697(4) 0.1003(9) 0.0263(15) Uani 1 1 d . . . . .
N6 N 0.2994(6) 0.0217(4) 0.2594(8) 0.0252(14) Uani 1 1 d . . . . .
N7 N -0.1144(6) 0.0551(4) -0.2016(9) 0.0271(15) Uani 1 1 d . . . . .
N8 N -0.1691(6) 0.1095(4) -0.2972(9) 0.0247(15) Uani 1 1 d . . . . .
N9 N -0.2385(6) -0.0111(4) -0.3388(9) 0.0269(15) Uani 1 1 d . . . . .
N10 N -0.1577(6) 0.3750(4) -0.3285(9) 0.0280(17) Uani 1 1 d . . . . .
N11 N -0.1015(6) 0.4351(4) -0.2483(10) 0.0289(16) Uani 1 1 d . . . . .
N12 N -0.2250(6) 0.4926(4) -0.4001(8) 0.0228(14) Uani 1 1 d . . . . .
N13 N 0.1357(6) 0.2458(4) -0.2787(10) 0.0275(17) Uani 1 1 d . . . . .
N14 N -0.0567(7) 0.2532(4) 0.0911(12) 0.035(2) Uani 1 1 d . . . . .
C1 C 0.2187(7) 0.5130(5) 0.1197(10) 0.0272(19) Uani 1 1 d . . . . .
H1 H 0.1900 0.5654 0.0950 0.033 Uiso 1 1 calc R U . . .
C2 C 0.3204(8) 0.4169(5) 0.2151(12) 0.034(2) Uani 1 1 d . . . . .
H2 H 0.3774 0.3884 0.2717 0.041 Uiso 1 1 calc R U . . .
C3 C 0.3838(7) 0.5579(5) 0.2865(10) 0.0265(18) Uani 1 1 d . . . . .
H3A H 0.4187 0.5335 0.3778 0.032 Uiso 1 1 calc R U . . .
H3B H 0.3399 0.6061 0.3151 0.032 Uiso 1 1 calc R U . . .
C4 C 0.4776(7) 0.5848(5) 0.1859(10) 0.0249(17) Uani 1 1 d . . . . .
C5 C 0.3185(8) 0.1017(5) 0.2390(11) 0.031(2) Uani 1 1 d . . . . .
H5 H 0.3794 0.1313 0.2854 0.037 Uiso 1 1 calc R U . . .
C6 C 0.2081(7) 0.0039(5) 0.1697(10) 0.0263(17) Uani 1 1 d . . . . .
H6 H 0.1754 -0.0486 0.1583 0.032 Uiso 1 1 calc R U . . .
C7 C 0.3709(7) -0.0340(5) 0.3444(10) 0.0285(17) Uani 1 1 d . . . . .
H7A H 0.3235 -0.0788 0.3801 0.034 Uiso 1 1 calc R U . . .
H7B H 0.4038 -0.0051 0.4322 0.034 Uiso 1 1 calc R U . . .
C8 C 0.4652(7) -0.0700(5) 0.2613(10) 0.0279(18) Uani 1 1 d . . . . .
C9 C -0.1569(7) -0.0172(5) -0.2289(10) 0.0248(17) Uani 1 1 d . . . . .
H9 H -0.1343 -0.0659 -0.1796 0.030 Uiso 1 1 calc R U . . .
C10 C -0.2438(7) 0.0685(5) -0.3766(11) 0.0272(18) Uani 1 1 d . . . . .
H10 H -0.2944 0.0910 -0.4503 0.033 Uiso 1 1 calc R U . . .
C11 C -0.3030(8) -0.0770(5) -0.4103(10) 0.0300(19) Uani 1 1 d . . . . .
H11A H -0.2493 -0.1178 -0.4463 0.036 Uiso 1 1 calc R U . . .
H11B H -0.3463 -0.0549 -0.4976 0.036 Uiso 1 1 calc R U . . .
C12 C -0.3842(7) -0.1194(5) -0.3120(9) 0.0264(16) Uani 1 1 d . . . . .
C13 C -0.2321(7) 0.4111(5) -0.4177(9) 0.0240(17) Uani 1 1 d . . . . .
H13 H -0.2835 0.3841 -0.4849 0.029 Uiso 1 1 calc R U . . .
C14 C -0.1445(8) 0.5051(5) -0.2916(12) 0.030(2) Uani 1 1 d . . . . .
H14 H -0.1224 0.5566 -0.2526 0.036 Uiso 1 1 calc R U . . .
C15 C -0.2957(7) 0.5549(5) -0.4741(10) 0.0237(17) Uani 1 1 d . . . . .
H15A H -0.3405 0.5297 -0.5573 0.028 Uiso 1 1 calc R U . . .
H15B H -0.2465 0.5969 -0.5155 0.028 Uiso 1 1 calc R U . . .
C16 C -0.3760(7) 0.5953(5) -0.3698(10) 0.0264(17) Uani 1 1 d . . . . .
O1W O 0.5580(6) 0.7849(4) 0.1242(7) 0.0406(15) Uani 1 1 d . . . . .
H1W H 0.5543 0.8363 0.1149 0.061 Uiso 1 1 d R U . . .
H2W H 0.5428 0.7635 0.0401 0.061 Uiso 1 1 d R U . . .
O2W O -0.2173(7) 0.2363(6) -0.5928(10) 0.059(2) Uani 1 1 d . . . . .
H3W H -0.1859 0.2268 -0.6733 0.089 Uiso 1 1 d R U . . .
H4W H -0.2741 0.2050 -0.5879 0.089 Uiso 1 1 d R U . . .
O3W O 0.0450(8) 0.3891(5) 0.4121(11) 0.061(2) Uani 1 1 d . . . . .
H5W H 0.0731 0.3508 0.4651 0.091 Uiso 1 1 d R U . . .
H6W H 0.0303 0.3709 0.3255 0.091 Uiso 1 1 d R U . . .
O4W O 0.0580(8) 0.1057(5) 0.4262(10) 0.056(2) Uani 1 1 d . . . . .
H7W H 0.0659 0.1455 0.4856 0.085 Uiso 1 1 d R U . . .
H8W H 0.0381 0.1241 0.3411 0.085 Uiso 1 1 d R U . . .
O5W O 0.5112(7) 0.2877(5) 0.3695(9) 0.0523(19) Uani 1 1 d . . . . .
H9W H 0.5220 0.2522 0.3034 0.078 Uiso 1 1 d R U . . .
H10W H 0.5436 0.3315 0.3454 0.078 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
U1 O9 1.779(7) . ?
U1 O10 1.780(6) . ?
U1 O1 2.308(6) . ?
U1 O7 2.315(5) 1_656 ?
U1 O3 2.326(6) 1_565 ?
U1 O5 2.417(5) 1_666 ?
U1 O1W 2.489(7) . ?
Ag1 N11 2.148(7) . ?
Ag1 N1 2.149(7) . ?
Ag1 O11 2.709(7) . ?
Ag1 O14 2.838(8) . ?
Ag1 O15 3.081(15) . ?
Ag2 N4 2.189(7) . ?
Ag2 N2 2.193(7) . ?
Ag2 O9 2.600(8) 2_564 ?
Ag2 O11 2.691(8) . ?
Ag2 O12 2.855(8) . ?
Ag2 O14 2.910(8) . ?
Ag3 N7 2.149(7) . ?
Ag3 N5 2.162(7) . ?
Ag3 O16 2.772(10) . ?
Ag3 O12 2.795(7) . ?
Ag3 O14 2.801(8) . ?
Ag4 N8 2.199(7) . ?
Ag4 N10 2.203(7) . ?
Ag4 O10 2.680(7) 2_464 ?
Ag4 O13 2.719(10) . ?
Ag4 O14 2.922(9) . ?
O1 C4 1.286(10) . ?
O2 C4 1.219(11) . ?
O3 C8 1.288(10) . ?
O3 U1 2.326(6) 1_545 ?
O4 C8 1.224(12) . ?
O5 C12 1.300(10) . ?
O5 U1 2.417(5) 1_444 ?
O6 C12 1.232(11) . ?
O7 C16 1.286(10) . ?
O7 U1 2.315(5) 1_454 ?
O8 C16 1.224(11) . ?
O9 Ag2 2.600(8) 2_565 ?
O11 N13 1.249(9) . ?
O12 N13 1.240(10) . ?
O13 N13 1.243(11) . ?
O14 N14 1.256(13) . ?
O15 N14 1.226(11) . ?
O16 N14 1.232(11) . ?
N1 C1 1.317(11) . ?
N1 N2 1.390(9) . ?
N2 C2 1.314(12) . ?
N3 C1 1.344(10) . ?
N3 C2 1.360(11) . ?
N3 C3 1.455(10) . ?
N4 C5 1.317(11) . ?
N4 N5 1.387(9) . ?
N5 C6 1.316(11) . ?
N6 C5 1.350(11) . ?
N6 C6 1.351(10) . ?
N6 C7 1.444(10) . ?
N7 C9 1.309(10) . ?
N7 N8 1.384(9) . ?
N8 C10 1.300(11) . ?
N9 C10 1.355(11) . ?
N9 C9 1.356(10) . ?
N9 C11 1.459(10) . ?
N10 C13 1.308(10) . ?
N10 N11 1.379(10) . ?
N11 C14 1.311(11) . ?
N12 C14 1.350(11) . ?
N12 C13 1.353(10) . ?
N12 C15 1.464(10) . ?
C1 H1 0.9500 . ?
C2 H2 0.9500 . ?
C3 C4 1.537(12) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.500(13) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.515(12) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.527(12) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
O1W H1W 0.8500 . ?
O1W H2W 0.8500 . ?
O2W H3W 0.8500 . ?
O2W H4W 0.8500 . ?
O3W H5W 0.8505 . ?
O3W H6W 0.8500 . ?
O4W H7W 0.8500 . ?
O4W H8W 0.8499 . ?
O5W H9W 0.8500 . ?
O5W H10W 0.8499 . ?

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
O9 U1 O10 177.8(4) . . ?
O9 U1 O1 88.9(3) . . ?
O10 U1 O1 92.0(2) . . ?
O9 U1 O7 88.9(3) . 1_656 ?
O10 U1 O7 89.4(3) . 1_656 ?
O1 U1 O7 77.3(2) . 1_656 ?
O9 U1 O3 86.3(2) . 1_565 ?
O10 U1 O3 94.5(2) . 1_565 ?
O1 U1 O3 134.9(2) . 1_565 ?
O7 U1 O3 147.2(2) 1_656 1_565 ?
O9 U1 O5 91.3(3) . 1_666 ?
O10 U1 O5 87.0(3) . 1_666 ?
O1 U1 O5 151.8(2) . 1_666 ?
O7 U1 O5 74.53(19) 1_656 1_666 ?
O3 U1 O5 73.2(2) 1_565 1_666 ?
O9 U1 O1W 93.1(3) . . ?
O10 U1 O1W 89.0(3) . . ?
O1 U1 O1W 69.5(2) . . ?
O7 U1 O1W 146.7(2) 1_656 . ?
O3 U1 O1W 66.1(2) 1_565 . ?
O5 U1 O1W 138.6(2) 1_666 . ?
N11 Ag1 N1 161.7(3) . . ?
N11 Ag1 O11 101.8(3) . . ?
N1 Ag1 O11 87.6(3) . . ?
N11 Ag1 O14 95.5(3) . . ?
N1 Ag1 O14 102.8(3) . . ?
O11 Ag1 O14 63.9(2) . . ?
N11 Ag1 O15 99.6(3) . . ?
N1 Ag1 O15 93.0(3) . . ?
O11 Ag1 O15 104.3(2) . . ?
O14 Ag1 O15 42.3(2) . . ?
N4 Ag2 N2 139.0(3) . . ?
N4 Ag2 O9 99.6(3) . 2_564 ?
N2 Ag2 O9 99.1(3) . 2_564 ?
N4 Ag2 O11 132.2(2) . . ?
N2 Ag2 O11 88.4(2) . . ?
O9 Ag2 O11 70.9(2) 2_564 . ?
N4 Ag2 O12 86.6(2) . . ?
N2 Ag2 O12 134.0(2) . . ?
O9 Ag2 O12 71.5(2) 2_564 . ?
O11 Ag2 O12 45.6(2) . . ?
N4 Ag2 O14 97.0(2) . . ?
N2 Ag2 O14 98.3(2) . . ?
O9 Ag2 O14 130.0(2) 2_564 . ?
O11 Ag2 O14 63.1(2) . . ?
O12 Ag2 O14 62.7(2) . . ?
N7 Ag3 N5 160.0(3) . . ?
N7 Ag3 O16 104.0(3) . . ?
N5 Ag3 O16 89.6(3) . . ?
N7 Ag3 O12 102.9(3) . . ?
N5 Ag3 O12 86.5(3) . . ?
O16 Ag3 O12 107.3(2) . . ?
N7 Ag3 O14 99.0(3) . . ?
N5 Ag3 O14 101.0(3) . . ?
O16 Ag3 O14 45.0(2) . . ?
O12 Ag3 O14 64.9(2) . . ?
N8 Ag4 N10 168.5(3) . . ?
N8 Ag4 O10 85.1(2) . 2_464 ?
N10 Ag4 O10 88.3(3) . 2_464 ?
N8 Ag4 O13 100.0(2) . . ?
N10 Ag4 O13 90.4(3) . . ?
O10 Ag4 O13 150.4(2) 2_464 . ?
N8 Ag4 O14 95.0(2) . . ?
N10 Ag4 O14 92.3(2) . . ?
O10 Ag4 O14 74.7(2) 2_464 . ?
O13 Ag4 O14 75.8(2) . . ?
C4 O1 U1 139.7(5) . . ?
C8 O3 U1 132.7(5) . 1_545 ?
C12 O5 U1 137.6(5) . 1_444 ?
C16 O7 U1 141.6(6) . 1_454 ?
U1 O9 Ag2 143.9(4) . 2_565 ?
N13 O11 Ag2 99.9(6) . . ?
N13 O11 Ag1 126.0(5) . . ?
Ag2 O11 Ag1 87.3(2) . . ?
N13 O12 Ag3 124.9(6) . . ?
N13 O12 Ag2 92.2(5) . . ?
Ag3 O12 Ag2 84.7(2) . . ?
N13 O13 Ag4 107.9(8) . . ?
N14 O14 Ag3 97.4(5) . . ?
N14 O14 Ag1 104.2(6) . . ?
Ag3 O14 Ag1 155.8(3) . . ?
N14 O14 Ag2 104.0(6) . . ?
Ag3 O14 Ag2 83.5(2) . . ?
Ag1 O14 Ag2 80.8(2) . . ?
N14 O14 Ag4 120.8(6) . . ?
Ag3 O14 Ag4 87.7(3) . . ?
Ag1 O14 Ag4 90.5(2) . . ?
Ag2 O14 Ag4 135.2(3) . . ?
N14 O15 Ag1 92.9(9) . . ?
N14 O16 Ag3 99.5(7) . . ?
C1 N1 N2 106.5(7) . . ?
C1 N1 Ag1 132.1(6) . . ?
N2 N1 Ag1 121.5(5) . . ?
C2 N2 N1 106.8(7) . . ?
C2 N2 Ag2 129.2(6) . . ?
N1 N2 Ag2 123.2(5) . . ?
C1 N3 C2 104.8(7) . . ?
C1 N3 C3 128.4(7) . . ?
C2 N3 C3 126.3(7) . . ?
C5 N4 N5 106.4(7) . . ?
C5 N4 Ag2 129.4(6) . . ?
N5 N4 Ag2 123.8(5) . . ?
C6 N5 N4 107.2(6) . . ?
C6 N5 Ag3 129.3(6) . . ?
N4 N5 Ag3 123.4(5) . . ?
C5 N6 C6 105.2(7) . . ?
C5 N6 C7 126.5(7) . . ?
C6 N6 C7 127.8(7) . . ?
C9 N7 N8 107.9(6) . . ?
C9 N7 Ag3 127.1(6) . . ?
N8 N7 Ag3 124.9(5) . . ?
C10 N8 N7 107.1(7) . . ?
C10 N8 Ag4 125.0(6) . . ?
N7 N8 Ag4 127.8(5) . . ?
C10 N9 C9 106.2(7) . . ?
C10 N9 C11 126.2(7) . . ?
C9 N9 C11 127.5(7) . . ?
C13 N10 N11 107.0(7) . . ?
C13 N10 Ag4 122.9(6) . . ?
N11 N10 Ag4 129.9(5) . . ?
C14 N11 N10 107.6(7) . . ?
C14 N11 Ag1 125.3(6) . . ?
N10 N11 Ag1 127.0(5) . . ?
C14 N12 C13 105.9(6) . . ?
C14 N12 C15 126.4(7) . . ?
C13 N12 C15 127.5(7) . . ?
O12 N13 O13 119.9(7) . . ?
O12 N13 O11 120.0(9) . . ?
O13 N13 O11 120.1(8) . . ?
O15 N14 O16 122.2(13) . . ?
O15 N14 O14 119.7(11) . . ?
O16 N14 O14 118.1(9) . . ?
N1 C1 N3 111.2(7) . . ?
N1 C1 H1 124.4 . . ?
N3 C1 H1 124.4 . . ?
N2 C2 N3 110.6(7) . . ?
N2 C2 H2 124.7 . . ?
N3 C2 H2 124.7 . . ?
N3 C3 C4 112.0(8) . . ?
N3 C3 H3A 109.2 . . ?
C4 C3 H3A 109.2 . . ?
N3 C3 H3B 109.2 . . ?
C4 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
O2 C4 O1 125.8(8) . . ?
O2 C4 C3 120.6(8) . . ?
O1 C4 C3 113.5(8) . . ?
N4 C5 N6 110.8(7) . . ?
N4 C5 H5 124.6 . . ?
N6 C5 H5 124.6 . . ?
N5 C6 N6 110.3(7) . . ?
N5 C6 H6 124.8 . . ?
N6 C6 H6 124.8 . . ?
N6 C7 C8 114.5(8) . . ?
N6 C7 H7A 108.6 . . ?
C8 C7 H7A 108.6 . . ?
N6 C7 H7B 108.6 . . ?
C8 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
O4 C8 O3 124.8(9) . . ?
O4 C8 C7 121.0(8) . . ?
O3 C8 C7 114.2(8) . . ?
N7 C9 N9 108.9(7) . . ?
N7 C9 H9 125.5 . . ?
N9 C9 H9 125.5 . . ?
N8 C10 N9 109.9(7) . . ?
N8 C10 H10 125.0 . . ?
N9 C10 H10 125.0 . . ?
N9 C11 C12 114.5(8) . . ?
N9 C11 H11A 108.6 . . ?
C12 C11 H11A 108.6 . . ?
N9 C11 H11B 108.6 . . ?
C12 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
O6 C12 O5 123.6(8) . . ?
O6 C12 C11 121.8(8) . . ?
O5 C12 C11 114.6(7) . . ?
N10 C13 N12 110.0(7) . . ?
N10 C13 H13 125.0 . . ?
N12 C13 H13 125.0 . . ?
N11 C14 N12 109.5(7) . . ?
N11 C14 H14 125.3 . . ?
N12 C14 H14 125.3 . . ?
N12 C15 C16 112.4(7) . . ?
N12 C15 H15A 109.1 . . ?
C16 C15 H15A 109.1 . . ?
N12 C15 H15B 109.1 . . ?
C16 C15 H15B 109.1 . . ?
H15A C15 H15B 107.9 . . ?
O8 C16 O7 125.3(9) . . ?
O8 C16 C15 120.8(8) . . ?
O7 C16 C15 113.9(8) . . ?
U1 O1W H1W 108.7 . . ?
U1 O1W H2W 139.7 . . ?
H1W O1W H2W 108.4 . . ?
H3W O2W H4W 108.4 . . ?
H5W O3W H6W 108.4 . . ?
H7W O4W H8W 108.4 . . ?
H9W O5W H10W 108.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 U1 O9 Ag2 122.7(5) . . . 2_565 ?
O7 U1 O9 Ag2 45.5(5) 1_656 . . 2_565 ?
O3 U1 O9 Ag2 -102.1(5) 1_565 . . 2_565 ?
O5 U1 O9 Ag2 -29.0(5) 1_666 . . 2_565 ?
O1W U1 O9 Ag2 -167.8(5) . . . 2_565 ?
C1 N1 N2 C2 0.6(11) . . . . ?
Ag1 N1 N2 C2 -179.1(7) . . . . ?
C1 N1 N2 Ag2 -170.0(7) . . . . ?
Ag1 N1 N2 Ag2 10.3(10) . . . . ?
C5 N4 N5 C6 1.1(11) . . . . ?
Ag2 N4 N5 C6 174.1(6) . . . . ?
C5 N4 N5 Ag3 178.3(7) . . . . ?
Ag2 N4 N5 Ag3 -8.7(10) . . . . ?
C9 N7 N8 C10 1.1(10) . . . . ?
Ag3 N7 N8 C10 176.6(6) . . . . ?
C9 N7 N8 Ag4 177.8(6) . . . . ?
Ag3 N7 N8 Ag4 -6.7(11) . . . . ?
C13 N10 N11 C14 0.3(11) . . . . ?
Ag4 N10 N11 C14 -174.5(7) . . . . ?
C13 N10 N11 Ag1 -178.3(7) . . . . ?
Ag4 N10 N11 Ag1 6.9(13) . . . . ?
Ag3 O12 N13 O13 -76.9(12) . . . . ?
Ag2 O12 N13 O13 -161.9(9) . . . . ?
Ag3 O12 N13 O11 100.2(8) . . . . ?
Ag2 O12 N13 O11 15.2(9) . . . . ?
Ag4 O13 N13 O12 85.4(9) . . . . ?
Ag4 O13 N13 O11 -91.7(9) . . . . ?
Ag2 O11 N13 O12 -16.4(9) . . . . ?
Ag1 O11 N13 O12 -110.2(8) . . . . ?
Ag2 O11 N13 O13 160.7(9) . . . . ?
Ag1 O11 N13 O13 66.9(12) . . . . ?
Ag1 O15 N14 O16 170.4(9) . . . . ?
Ag1 O15 N14 O14 -9.7(9) . . . . ?
Ag3 O16 N14 O15 -179.9(9) . . . . ?
Ag3 O16 N14 O14 0.2(9) . . . . ?
Ag3 O14 N14 O15 179.9(8) . . . . ?
Ag1 O14 N14 O15 10.8(11) . . . . ?
Ag2 O14 N14 O15 94.7(9) . . . . ?
Ag4 O14 N14 O15 -88.4(10) . . . . ?
Ag3 O14 N14 O16 -0.2(9) . . . . ?
Ag1 O14 N14 O16 -169.2(7) . . . . ?
Ag2 O14 N14 O16 -85.3(9) . . . . ?
Ag4 O14 N14 O16 91.5(9) . . . . ?
N2 N1 C1 N3 -1.0(11) . . . . ?
Ag1 N1 C1 N3 178.7(7) . . . . ?
C2 N3 C1 N1 0.9(11) . . . . ?
C3 N3 C1 N1 173.9(9) . . . . ?
N1 N2 C2 N3 -0.1(12) . . . . ?
Ag2 N2 C2 N3 169.8(7) . . . . ?
C1 N3 C2 N2 -0.5(12) . . . . ?
C3 N3 C2 N2 -173.7(9) . . . . ?
C1 N3 C3 C4 -82.7(11) . . . . ?
C2 N3 C3 C4 88.9(11) . . . . ?
U1 O1 C4 O2 132.3(8) . . . . ?
U1 O1 C4 C3 -47.6(12) . . . . ?
N3 C3 C4 O2 3.5(12) . . . . ?
N3 C3 C4 O1 -176.6(7) . . . . ?
N5 N4 C5 N6 -2.1(11) . . . . ?
Ag2 N4 C5 N6 -174.6(6) . . . . ?
C6 N6 C5 N4 2.3(11) . . . . ?
C7 N6 C5 N4 175.0(8) . . . . ?
N4 N5 C6 N6 0.3(11) . . . . ?
Ag3 N5 C6 N6 -176.7(6) . . . . ?
C5 N6 C6 N5 -1.5(11) . . . . ?
C7 N6 C6 N5 -174.1(9) . . . . ?
C5 N6 C7 C8 -84.9(11) . . . . ?
C6 N6 C7 C8 86.2(11) . . . . ?
U1 O3 C8 O4 -81.8(12) 1_545 . . . ?
U1 O3 C8 C7 96.2(9) 1_545 . . . ?
N6 C7 C8 O4 -10.1(12) . . . . ?
N6 C7 C8 O3 171.8(7) . . . . ?
N8 N7 C9 N9 -0.5(10) . . . . ?
Ag3 N7 C9 N9 -175.9(6) . . . . ?
C10 N9 C9 N7 -0.2(11) . . . . ?
C11 N9 C9 N7 175.9(8) . . . . ?
N7 N8 C10 N9 -1.2(10) . . . . ?
Ag4 N8 C10 N9 -178.1(6) . . . . ?
C9 N9 C10 N8 0.9(11) . . . . ?
C11 N9 C10 N8 -175.2(8) . . . . ?
C10 N9 C11 C12 -116.5(10) . . . . ?
C9 N9 C11 C12 68.2(12) . . . . ?
U1 O5 C12 O6 -179.6(6) 1_444 . . . ?
U1 O5 C12 C11 -1.1(11) 1_444 . . . ?
N9 C11 C12 O6 2.2(13) . . . . ?
N9 C11 C12 O5 -176.3(7) . . . . ?
N11 N10 C13 N12 1.0(11) . . . . ?
Ag4 N10 C13 N12 176.3(6) . . . . ?
C14 N12 C13 N10 -1.9(11) . . . . ?
C15 N12 C13 N10 -177.4(9) . . . . ?
N10 N11 C14 N12 -1.5(12) . . . . ?
Ag1 N11 C14 N12 177.1(6) . . . . ?
C13 N12 C14 N11 2.1(11) . . . . ?
C15 N12 C14 N11 177.7(9) . . . . ?
C14 N12 C15 C16 -65.8(11) . . . . ?
C13 N12 C15 C16 108.8(10) . . . . ?
U1 O7 C16 O8 140.4(8) 1_454 . . . ?
U1 O7 C16 C15 -39.7(12) 1_454 . . . ?
N12 C15 C16 O8 2.7(11) . . . . ?
N12 C15 C16 O7 -177.2(7) . . . . ?


#--------------------Hydrogen bonding scheme-----------------------------# 

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag

#
# Hydrogen bonding scheme
# ======== ======= ======
#
#  D     H      A       D-H     H...A     D...A       D-H...A   symm   publ
#  -     -      -       ---     -----     -----       -------   ----   ----

O1W H1W O4 0.85 1.98 2.746(10) 150 1_565 yes
O1W H2W O5W 0.85 1.78 2.632(10) 176 2_564 yes
O2W H3W O15 0.85 2.56 3.199(17) 133 1_554 yes
O2W H3W O16 0.85 2.23 3.063(14) 166 1_554 yes
O2W H4W O6 0.85 2.42 3.196(12) 152 2_554 yes
O3W H5W O13 0.85 2.14 2.940(13) 157 1_556 yes
O3W H6W O15 0.85 2.27 3.057(13) 153 . yes
O4W H7W O13 0.85 2.00 2.849(12) 173 1_556 yes
O4W H8W O16 0.85 2.33 3.139(12) 160 . yes
O5W H9W O5 0.85 2.06 2.899(10) 171 2_655 yes
O5W H10W O8 0.85 1.97 2.809(10) 171 2_665 yes
C1 H1 O3W 0.95 2.44 3.157(11) 132 2_564 yes
C1 H1 O11 0.95 2.66 3.315(11) 126 2_565 yes
C2 H2 O5W 0.95 2.43 3.356(12) 165 . yes
C3 H3A O2 0.99 2.34 3.296(11) 162 2_565 yes
C3 H3B O11 0.99 2.46 3.347(11) 149 2_565 yes
C5 H5 O5 0.95 2.79 3.378(11) 121 2_655 yes
C5 H5 O6 0.95 2.72 3.416(12) 131 2_655 yes
C6 H6 O4W 0.95 2.64 3.299(11) 127 2_554 yes
C6 H6 O12 0.95 2.43 3.233(10) 143 2_555 yes
C7 H7A O12 0.99 2.65 3.465(11) 140 2_555 yes
C7 H7B O4 0.99 2.18 3.173(11) 177 2_555 yes
C9 H9 O4W 0.95 2.51 3.195(11) 129 2_554 yes
C9 H9 O16 0.95 2.64 3.189(11) 117 2_554 yes
C10 H10 O6 0.95 2.38 3.274(11) 156 2_554 yes
C11 H11A O16 0.99 2.54 3.329(13) 137 2_554 yes
C11 H11A O10 0.99 2.60 3.299(11) 128 1_444 yes
C11 H11B O3 0.99 2.17 2.921(10) 132 1_454 yes
C13 H13 O2W 0.95 2.75 3.294(13) 117 . yes
C13 H13 O8 0.95 2.57 3.289(10) 133 2_564 yes
C14 H14 O3W 0.95 2.58 3.324(13) 135 2_564 yes
C14 H14 O15 0.95 2.32 3.056(12) 134 2_564 yes
C15 H15A O8 0.99 2.43 3.332(11) 152 2_564 yes
C15 H15A O1 0.99 2.73 3.294(10) 116 1_454 yes
C15 H15B O15 0.99 2.71 3.373(12) 125 2_564 yes
C15 H15B O10 0.99 2.70 3.423(10) 130 1_454 yes


_refine_diff_density_max         0.868
_refine_diff_density_min         -0.992
_refine_diff_density_rms         0.154


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2097984'
loop_
_audit_author_name
_audit_author_address
'Konstantin Domasevitch'
;Taras Shevchenko National University of Kyiv
Ukraine
;
_audit_update_record             
;
2021-07-20 deposited with the CCDC.	2022-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
;
poly[[bis[2-(1,2,4-triazol-4-yl)acetato)]-bis[2-(1,2,4-triazol-4-yl)acetic 
acid)]tetrasilver(I)] dinitrate dihydrate]] 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H18 Ag4 N12 O8, 2(N O3), 2(H2 O)'
_chemical_formula_sum            'C16 H22 Ag4 N14 O16'
_chemical_formula_weight         1097.95

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.2551(6)
_cell_length_b                   7.5170(7)
_cell_length_c                   15.0801(13)
_cell_angle_alpha                97.061(10)
_cell_angle_beta                 98.041(10)
_cell_angle_gamma                109.612(9)
_cell_volume                     754.26(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    213(2)
_cell_measurement_reflns_used    7012
_cell_measurement_theta_min      2.775
_cell_measurement_theta_max      27.909

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.417
_exptl_crystal_F_000             532
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    2.656
_shelx_estimated_absorpt_T_min   0.568
_shelx_estimated_absorpt_T_max   0.619
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.4063
_exptl_absorpt_correction_T_max  0.4671
_exptl_absorpt_process_details   
'X-RED (Stoe & Cie, 2001) and X-SHAPE (Stoe & Cie, 1999)'

_diffrn_ambient_temperature      213(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Stoe Image Plate Diffraction System-2T'
_diffrn_measurement_method       'φ oscillation scans'
_diffrn_reflns_number            7012
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.775
_diffrn_reflns_theta_max         27.909
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             3556
_reflns_number_gt                2711
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'IPDS Software (Stoe & Cie, 2000)'
_computing_cell_refinement       'IPDS Software (Stoe & Cie, 2000)'
_computing_data_reduction        'IPDS Software (Stoe & Cie, 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 2.1e (Brandenburg, 1999)'
_computing_publication_material  'WinGX 1.70.01 (Farrugia, 1999)'

#------------------------------- Refinement data-----------------------#


_refine_special_details          
;
The refinement was essentially standard. All non-hydrogen atoms were 
refined anisotropically. Both types of OH hydrogen atoms, namelly water 
OH and carboxylic COOH, were clearly visible in a difference map. 
The latter one was fixed in a position located from the map (O---H = 
0.82 Å) and included in calculations with Uiso(H) = 1.5Ueq of the 
carrier O3 atom. The hydrogen atoms of water molecule were located in a 
difference map and then refined with fixed bond lengths at O---H = 
0.85 Å and Uiso(H) = 1.5Ueq(O-atom). CH hydrogen atoms were 
positioned with idealized geometry and were refined with triazole 
C-H = 0.94 Å and methylene C-H = 0.98 Å and Uiso(H) = 
1.2Ueq(C-atom).

The present attribution of carboxylate ----COO and carboxylic ----COOH 
groups agrees with bond lengths within these two fragments. In the 
case of anionic carboxylate groups, two bonds C---O are nearly uniform 
[C4---O1 = 1.256(4) and C4---O2 = 1.238(4) Å], while for the neutral 
----COOH group they are essentially differentiated [C8---O3(H) = 1.312(3) 
Å and C8=--O4 = 1.192(4) Å).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0319P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3556
_refine_ls_number_parameters     226
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0238
_refine_ls_wR_factor_ref         0.0569
_refine_ls_wR_factor_gt          0.0554
_refine_ls_goodness_of_fit_ref   0.910
_refine_ls_restrained_S_all      0.910
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.21157(4) 0.30034(3) 0.33020(2) 0.02672(7) Uani 1 1 d . . . . .
Ag2 Ag 0.54905(4) 0.80492(3) 0.46837(2) 0.02409(7) Uani 1 1 d . . . . .
O1 O -0.4244(4) -0.7324(3) 0.39475(14) 0.0286(5) Uani 1 1 d . . . . .
O2 O -0.2659(4) -0.4579(3) 0.49235(14) 0.0300(5) Uani 1 1 d . . . . .
O3 O 0.2642(5) 1.0509(4) 0.01387(15) 0.0399(6) Uani 1 1 d . . . . .
H1O H 0.2181 1.1358 0.0092 0.060 Uiso 1 1 d R U . . .
O4 O 0.1895(5) 1.0607(4) 0.15242(17) 0.0500(8) Uani 1 1 d . . . . .
O5 O 0.6757(5) 0.6784(4) 0.12469(17) 0.0491(7) Uani 1 1 d . . . . .
O6 O 0.8064(7) 0.4622(5) 0.1093(2) 0.0751(12) Uani 1 1 d . . . . .
O7 O 0.8294(5) 0.6507(4) 0.01362(16) 0.0413(7) Uani 1 1 d . . . . .
N1 N 0.0842(4) 0.0231(3) 0.36711(16) 0.0217(5) Uani 1 1 d . . . . .
N2 N 0.1725(4) -0.0218(3) 0.44407(16) 0.0198(5) Uani 1 1 d . . . . .
N3 N -0.0685(4) -0.2814(3) 0.36723(15) 0.0174(5) Uani 1 1 d . . . . .
N4 N 0.2966(4) 0.5597(3) 0.27480(16) 0.0222(5) Uani 1 1 d . . . . .
N5 N 0.4069(4) 0.7425(3) 0.32338(15) 0.0202(5) Uani 1 1 d . . . . .
N6 N 0.3280(4) 0.7614(3) 0.18047(15) 0.0204(5) Uani 1 1 d . . . . .
N7 N 0.7662(5) 0.5952(4) 0.08308(17) 0.0314(6) Uani 1 1 d . . . . .
C1 C -0.0583(5) -0.1350(4) 0.32247(19) 0.0233(6) Uani 1 1 d . . . . .
H1 H -0.1417 -0.1448 0.2670 0.028 Uiso 1 1 calc R U . . .
C2 C 0.0775(5) -0.2040(4) 0.44220(19) 0.0200(6) Uani 1 1 d . . . . .
H2 H 0.1067 -0.2724 0.4870 0.024 Uiso 1 1 calc R U . . .
C3 C -0.2042(5) -0.4814(4) 0.3401(2) 0.0227(6) Uani 1 1 d . . . . .
H3A H -0.1291 -0.5607 0.3205 0.027 Uiso 1 1 calc R U . . .
H3B H -0.3064 -0.4912 0.2879 0.027 Uiso 1 1 calc R U . . .
C4 C -0.3068(4) -0.5609(4) 0.41633(19) 0.0187(6) Uani 1 1 d . . . . .
C5 C 0.2528(5) 0.5764(4) 0.18977(19) 0.0256(7) Uani 1 1 d . . . . .
H5 H 0.1791 0.4734 0.1419 0.031 Uiso 1 1 calc R U . . .
C6 C 0.4242(5) 0.8603(4) 0.26527(18) 0.0200(6) Uani 1 1 d . . . . .
H6 H 0.4931 0.9938 0.2801 0.024 Uiso 1 1 calc R U . . .
C7 C 0.3271(5) 0.8311(5) 0.09437(19) 0.0262(7) Uani 1 1 d . . . . .
H7A H 0.2430 0.7247 0.0453 0.031 Uiso 1 1 calc R U . . .
H7B H 0.4630 0.8729 0.0824 0.031 Uiso 1 1 calc R U . . .
C8 C 0.2521(5) 0.9949(5) 0.09259(19) 0.0262(7) Uani 1 1 d . . . . .
O1W O 0.8061(5) 0.1437(4) 0.19293(17) 0.0501(7) Uani 1 1 d . . . . .
H1W H 0.8085 0.2331 0.1632 0.075 Uiso 1 1 d R U . . .
H2W H 0.9052 0.1108 0.1861 0.075 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.148(2) . ?
Ag1 N1 2.155(2) . ?
Ag1 O2 2.708(2) 2_556 ?
Ag1 O1 2.786(3) 1_665 ?
Ag1 O4 2.993(3) 1_545 ?
Ag2 N5 2.204(2) . ?
Ag2 N2 2.235(3) 2_666 ?
Ag2 O1 2.417(2) 2_556 ?
Ag2 O2 2.767(2) 1_665 ?
Ag2 Ag2 3.3047(5) 2_676 ?
O1 C4 1.256(4) . ?
O2 C4 1.238(4) . ?
O3 C8 1.312(3) . ?
O3 H1O 0.8202 . ?
O4 C8 1.192(4) . ?
O5 N7 1.229(4) . ?
O6 N7 1.225(4) . ?
O7 N7 1.263(4) . ?
N1 C1 1.311(4) . ?
N1 N2 1.380(3) . ?
N2 C2 1.305(4) . ?
N3 C1 1.347(3) . ?
N3 C2 1.352(4) . ?
N3 C3 1.462(4) . ?
N4 C5 1.309(4) . ?
N4 N5 1.384(3) . ?
N5 C6 1.309(3) . ?
N6 C5 1.346(4) . ?
N6 C6 1.358(4) . ?
N6 C7 1.458(3) . ?
C1 H1 0.9400 . ?
C2 H2 0.9400 . ?
C3 C4 1.530(4) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C5 H5 0.9400 . ?
C6 H6 0.9400 . ?
C7 C8 1.505(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
O1W H1W 0.8500 . ?
O1W H2W 0.8500 . ?

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 170.42(9) . . ?
N4 Ag1 O2 98.81(8) . 2_556 ?
N1 Ag1 O2 87.84(8) . 2_556 ?
N4 Ag1 O1 103.28(8) . 1_665 ?
N1 Ag1 O1 84.53(8) . 1_665 ?
O2 Ag1 O1 80.58(7) 2_556 1_665 ?
N4 Ag1 O4 91.99(8) . 1_545 ?
N1 Ag1 O4 82.50(8) . 1_545 ?
O2 Ag1 O4 166.46(7) 2_556 1_545 ?
O1 Ag1 O4 89.04(7) 1_665 1_545 ?
N5 Ag2 N2 135.78(9) . 2_666 ?
N5 Ag2 O1 133.43(9) . 2_556 ?
N2 Ag2 O1 88.59(8) 2_666 2_556 ?
N5 Ag2 O2 106.85(8) . 1_665 ?
N2 Ag2 O2 85.63(8) 2_666 1_665 ?
O1 Ag2 O2 86.23(7) 2_556 1_665 ?
N5 Ag2 Ag2 98.39(6) . 2_676 ?
N2 Ag2 Ag2 72.68(6) 2_666 2_676 ?
O1 Ag2 Ag2 79.77(5) 2_556 2_676 ?
O2 Ag2 Ag2 154.30(5) 1_665 2_676 ?
C4 O1 Ag2 104.61(18) . 2_556 ?
C8 O3 H1O 111.5 . . ?
C1 N1 N2 107.2(2) . . ?
C1 N1 Ag1 131.40(19) . . ?
N2 N1 Ag1 120.77(18) . . ?
C2 N2 N1 106.6(2) . . ?
C2 N2 Ag2 133.1(2) . 2_666 ?
N1 N2 Ag2 119.75(17) . 2_666 ?
C1 N3 C2 104.8(2) . . ?
C1 N3 C3 127.8(2) . . ?
C2 N3 C3 127.3(2) . . ?
C5 N4 N5 106.9(2) . . ?
C5 N4 Ag1 127.1(2) . . ?
N5 N4 Ag1 126.01(17) . . ?
C6 N5 N4 107.1(2) . . ?
C6 N5 Ag2 128.5(2) . . ?
N4 N5 Ag2 124.05(16) . . ?
C5 N6 C6 105.3(2) . . ?
C5 N6 C7 125.6(3) . . ?
C6 N6 C7 128.5(3) . . ?
O6 N7 O5 121.7(3) . . ?
O6 N7 O7 117.6(3) . . ?
O5 N7 O7 120.6(3) . . ?
N1 C1 N3 110.4(2) . . ?
N1 C1 H1 124.8 . . ?
N3 C1 H1 124.8 . . ?
N2 C2 N3 111.0(2) . . ?
N2 C2 H2 124.5 . . ?
N3 C2 H2 124.5 . . ?
N3 C3 C4 113.3(2) . . ?
N3 C3 H3A 108.9 . . ?
C4 C3 H3A 108.9 . . ?
N3 C3 H3B 108.9 . . ?
C4 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
O2 C4 O1 125.9(3) . . ?
O2 C4 C3 119.5(3) . . ?
O1 C4 C3 114.6(2) . . ?
N4 C5 N6 110.6(3) . . ?
N4 C5 H5 124.7 . . ?
N6 C5 H5 124.7 . . ?
N5 C6 N6 110.1(2) . . ?
N5 C6 H6 125.0 . . ?
N6 C6 H6 125.0 . . ?
N6 C7 C8 113.7(2) . . ?
N6 C7 H7A 108.8 . . ?
C8 C7 H7A 108.8 . . ?
N6 C7 H7B 108.8 . . ?
C8 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
O4 C8 O3 125.8(3) . . ?
O4 C8 C7 125.5(3) . . ?
O3 C8 C7 108.7(2) . . ?
H1W O1W H2W 108.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 N1 N2 C2 -0.5(3) . . . . ?
Ag1 N1 N2 C2 -172.3(2) . . . . ?
C1 N1 N2 Ag2 171.7(2) . . . 2_666 ?
Ag1 N1 N2 Ag2 0.0(3) . . . 2_666 ?
C5 N4 N5 C6 0.0(3) . . . . ?
Ag1 N4 N5 C6 -179.2(2) . . . . ?
C5 N4 N5 Ag2 -173.9(2) . . . . ?
Ag1 N4 N5 Ag2 6.9(3) . . . . ?
N2 N1 C1 N3 0.5(4) . . . . ?
Ag1 N1 C1 N3 171.1(2) . . . . ?
C2 N3 C1 N1 -0.3(3) . . . . ?
C3 N3 C1 N1 -179.1(3) . . . . ?
N1 N2 C2 N3 0.4(3) . . . . ?
Ag2 N2 C2 N3 -170.43(19) 2_666 . . . ?
C1 N3 C2 N2 -0.1(3) . . . . ?
C3 N3 C2 N2 178.7(3) . . . . ?
C1 N3 C3 C4 -131.2(3) . . . . ?
C2 N3 C3 C4 50.3(4) . . . . ?
Ag2 O1 C4 O2 1.0(4) 2_556 . . . ?
Ag2 O1 C4 C3 179.0(2) 2_556 . . . ?
N3 C3 C4 O2 -2.0(4) . . . . ?
N3 C3 C4 O1 179.9(2) . . . . ?
N5 N4 C5 N6 -0.4(4) . . . . ?
Ag1 N4 C5 N6 178.8(2) . . . . ?
C6 N6 C5 N4 0.7(4) . . . . ?
C7 N6 C5 N4 173.0(3) . . . . ?
N4 N5 C6 N6 0.4(3) . . . . ?
Ag2 N5 C6 N6 174.0(2) . . . . ?
C5 N6 C6 N5 -0.6(4) . . . . ?
C7 N6 C6 N5 -172.7(3) . . . . ?
C5 N6 C7 C8 131.1(3) . . . . ?
C6 N6 C7 C8 -58.4(4) . . . . ?
N6 C7 C8 O4 -3.3(5) . . . . ?
N6 C7 C8 O3 177.7(3) . . . . ?


#--------------------Hydrogen bonding scheme-----------------------------# 

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag

#
# Hydrogen bonding scheme
# ======== ======= ======
#
#  D     H     A      D-H      H...A     D...A        D-H...A    symm   publ
#  -     -     -      ---      -----     -----        -------    ----   ----

O1W H1W O6 0.85 2.00 2.840(4) 172 . yes
O1W H2W O4 0.85 2.33 3.170(4) 170 1_645 yes
O3 H1O O7 0.82 1.81 2.615(3) 166 2_675 yes
C1 H1 O5 0.94 2.33 3.183(4) 150 1_445 yes
C1 H1 O1W 0.94 2.67 3.320(4) 127 1_455 yes
C2 H2 O1 0.94 2.70 3.460(4) 139 2_546 yes
C2 H2 O2 0.94 2.68 3.446(4) 139 2_546 yes
C3 H3A O1W 0.98 2.62 3.395(4) 136 1_445 yes
C5 H5 O7 0.94 2.40 3.193(4) 142 2_665 yes
C6 H6 O1 0.94 2.37 3.173(4) 144 1_675 yes
C6 H6 O1W 0.94 2.76 3.296(4) 117 1_565 yes
C7 H7A O6 0.98 2.48 3.362(5) 149 2_665 yes
C7 H7A O7 0.98 2.70 3.511(4) 141 2_665 yes
C7 H7B O5 0.98 2.53 3.111(4) 118 . yes
C7 H7B O1W 0.98 2.78 3.467(5) 128 1_565 yes
C7 H7B O3 0.98 2.57 3.491(4) 157 2_675 yes


_refine_diff_density_max         1.002
_refine_diff_density_min         -0.668
_refine_diff_density_rms         0.118


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 2097986'
loop_
_audit_author_name
_audit_author_address
'Konstantin Domasevitch'
;Taras Shevchenko National University of Kyiv
Ukraine
;
_audit_update_record             
;
2021-07-20 deposited with the CCDC.	2022-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
;
poly[[decakis[2-(1,2,4-triazol-4-yl)acetato)]-hexasilver(I)] bis-
[dioxouranium(VI)] Heptahydrate] 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C20 H20 Ag3 N15 O12 U), 7(H2 O)'
_chemical_formula_sum            'C40 H54 Ag6 N30 O31 U2'
_chemical_formula_weight         2574.41

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.5892(10)
_cell_length_b                   15.8614(12)
_cell_length_c                   22.064(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.822(8)
_cell_angle_gamma                90
_cell_volume                     3344.1(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    17282
_cell_measurement_theta_min      1.852
_cell_measurement_theta_max      27.237

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.557
_exptl_crystal_F_000             2436
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    6.654
_shelx_estimated_absorpt_T_min   0.350
_shelx_estimated_absorpt_T_max   0.478
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.4148
_exptl_absorpt_correction_T_max  0.7025
_exptl_absorpt_process_details   
'X-RED (Stoe & Cie, 2001) and X-SHAPE (Stoe & Cie, 1999)'

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Stoe Image Plate Diffraction System-2T'
_diffrn_measurement_method       'φ oscillation scans'
_diffrn_reflns_number            17282
_diffrn_reflns_av_unetI/netI     0.1239
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.852
_diffrn_reflns_theta_max         27.237
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             7385
_reflns_number_gt                4281
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'IPDS Software (Stoe & Cie, 2000)'
_computing_cell_refinement       'IPDS Software (Stoe & Cie, 2000)'
_computing_data_reduction        'IPDS Software (Stoe & Cie, 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 2.1e (Brandenburg, 1999)'
_computing_publication_material  'WinGX 1.70.01 (Farrugia, 1999)'

#------------------------------- Refinement data-----------------------#


_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0258P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7385
_refine_ls_number_parameters     488
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1012
_refine_ls_R_factor_gt           0.0472
_refine_ls_wR_factor_ref         0.0849
_refine_ls_wR_factor_gt          0.0741
_refine_ls_goodness_of_fit_ref   0.863
_refine_ls_restrained_S_all      0.863
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.00236(4) 0.08172(3) 0.23425(2) 0.02204(8) Uani 1 1 d . . . . .
Ag1 Ag 0.34145(9) 0.57512(6) 0.07111(3) 0.03555(19) Uani 1 1 d . . . . .
Ag2 Ag 0.34545(8) 0.41209(6) -0.05429(3) 0.03414(19) Uani 1 1 d . . . . .
Ag3 Ag 0.05827(9) 0.61995(6) -0.02434(3) 0.0379(2) Uani 1 1 d . . . . .
O1 O 0.1006(7) 0.2152(4) 0.2553(2) 0.0280(16) Uani 1 1 d . . . . .
O2 O 0.1290(8) 0.3528(4) 0.2425(3) 0.0332(16) Uani 1 1 d . . . . .
O3 O 0.1847(8) 0.8184(4) -0.2181(3) 0.0268(15) Uani 1 1 d . . . . .
O4 O 0.1128(8) 0.7273(5) -0.1501(3) 0.047(2) Uani 1 1 d . . . . .
O5 O 0.0443(7) 0.9334(4) 0.2323(3) 0.0289(16) Uani 1 1 d . . . . .
O6 O 0.0245(9) 0.8000(5) 0.2036(3) 0.0377(18) Uani 1 1 d . . . . .
O7 O 0.1928(9) 0.0455(6) -0.1247(3) 0.050(2) Uani 1 1 d . . . . .
O8 O 0.2138(8) -0.0043(5) -0.2186(3) 0.0355(17) Uani 1 1 d . . . . .
O9 O 0.1499(8) 0.5539(5) 0.3247(3) 0.0390(19) Uani 1 1 d . . . . .
O10 O 0.2516(7) 0.5617(5) 0.2370(3) 0.0343(18) Uani 1 1 d . . . . .
O11 O 0.0292(7) 0.0899(4) 0.1567(3) 0.0292(15) Uani 1 1 d . . . . .
O12 O -0.0238(7) 0.0748(5) 0.3135(3) 0.0306(15) Uani 1 1 d . . . . .
N1 N 0.3003(9) 0.4437(6) 0.0911(3) 0.031(2) Uani 1 1 d . . . . .
N2 N 0.2728(10) 0.3856(6) 0.0447(3) 0.034(2) Uani 1 1 d . . . . .
N3 N 0.2512(10) 0.3236(6) 0.1320(3) 0.033(2) Uani 1 1 d . . . . .
N4 N 0.3857(9) 0.6032(5) -0.0331(3) 0.030(2) Uani 1 1 d . . . . .
N5 N 0.3694(9) 0.5427(6) -0.0783(3) 0.0290(19) Uani 1 1 d . . . . .
N6 N 0.3741(10) 0.6677(5) -0.1210(3) 0.029(2) Uani 1 1 d . . . . .
N7 N 0.2498(10) 0.7044(5) 0.0761(3) 0.0285(19) Uani 1 1 d . . . . .
N8 N 0.1407(9) 0.7250(6) 0.0333(3) 0.032(2) Uani 1 1 d . . . . .
N9 N 0.1649(9) 0.8244(5) 0.1029(3) 0.0270(19) Uani 1 1 d . . . . .
N10 N 0.3711(12) 0.2822(5) -0.0842(4) 0.042(3) Uani 1 1 d . . . . .
N11 N 0.4169(15) 0.2206(6) -0.0424(4) 0.062(4) Uani 1 1 d . . . . .
N12 N 0.3870(10) 0.1642(5) -0.1337(4) 0.034(2) Uani 1 1 d . . . . .
N13 N -0.0232(10) 0.5632(6) 0.0727(3) 0.037(2) Uani 1 1 d . . . . .
N14 N -0.0324(9) 0.4801(5) 0.0904(3) 0.0289(19) Uani 1 1 d . . . . .
N15 N -0.0120(9) 0.5574(5) 0.1735(3) 0.0260(18) Uani 1 1 d . . . . .
C1 C 0.2878(11) 0.4039(6) 0.1419(4) 0.028(2) Uani 1 1 d . . . . .
H1 H 0.3028 0.4288 0.1811 0.033 Uiso 1 1 calc R U . . .
C2 C 0.2430(11) 0.3130(7) 0.0704(4) 0.031(2) Uani 1 1 d . . . . .
H2 H 0.2197 0.2620 0.0495 0.037 Uiso 1 1 calc R U . . .
C3 C 0.2326(12) 0.2545(6) 0.1754(4) 0.028(2) Uani 1 1 d . . . . .
H3A H 0.3258 0.2358 0.1930 0.034 Uiso 1 1 calc R U . . .
H3B H 0.1876 0.2063 0.1531 0.034 Uiso 1 1 calc R U . . .
C4 C 0.1448(10) 0.2790(7) 0.2267(4) 0.030(2) Uani 1 1 d . . . . .
C5 C 0.3917(12) 0.6773(7) -0.0595(4) 0.033(2) Uani 1 1 d . . . . .
H5 H 0.4062 0.7295 -0.0389 0.039 Uiso 1 1 calc R U . . .
C6 C 0.3626(10) 0.5834(8) -0.1298(4) 0.028(2) Uani 1 1 d . . . . .
H6 H 0.3510 0.5572 -0.1686 0.033 Uiso 1 1 calc R U . . .
C7 C 0.3580(11) 0.7336(7) -0.1664(4) 0.030(2) Uani 1 1 d . . . . .
H7A H 0.3916 0.7130 -0.2050 0.036 Uiso 1 1 calc R U . . .
H7B H 0.4155 0.7829 -0.1527 0.036 Uiso 1 1 calc R U . . .
C8 C 0.2020(11) 0.7607(6) -0.1776(4) 0.025(2) Uani 1 1 d . . . . .
C9 C 0.2600(11) 0.7629(7) 0.1159(4) 0.030(2) Uani 1 1 d . . . . .
H9 H 0.3263 0.7631 0.1504 0.036 Uiso 1 1 calc R U . . .
C10 C 0.0887(12) 0.7981(7) 0.0507(4) 0.035(3) Uani 1 1 d . . . . .
H10 H 0.0118 0.8273 0.0304 0.041 Uiso 1 1 calc R U . . .
C11 C 0.1356(12) 0.8967(6) 0.1398(4) 0.035(3) Uani 1 1 d . . . . .
H11A H 0.0770 0.9371 0.1147 0.042 Uiso 1 1 calc R U . . .
H11B H 0.2247 0.9252 0.1532 0.042 Uiso 1 1 calc R U . . .
C12 C 0.0595(11) 0.8724(7) 0.1961(4) 0.031(2) Uani 1 1 d . . . . .
C13 C 0.3525(12) 0.2470(7) -0.1378(4) 0.032(2) Uani 1 1 d . . . . .
H13 H 0.3195 0.2752 -0.1742 0.039 Uiso 1 1 calc R U . . .
C14 C 0.4275(16) 0.1511(7) -0.0736(5) 0.052(4) Uani 1 1 d . . . . .
H14 H 0.4590 0.0986 -0.0567 0.063 Uiso 1 1 calc R U . . .
C15 C 0.3683(13) 0.1023(7) -0.1811(5) 0.041(3) Uani 1 1 d . . . . .
H15A H 0.4549 0.0685 -0.1817 0.049 Uiso 1 1 calc R U . . .
H15B H 0.3527 0.1314 -0.2208 0.049 Uiso 1 1 calc R U . . .
C16 C 0.2480(12) 0.0445(7) -0.1734(4) 0.031(2) Uani 1 1 d . . . . .
C17 C -0.0152(12) 0.6076(7) 0.1238(4) 0.037(3) Uani 1 1 d . . . . .
H17 H -0.0121 0.6675 0.1254 0.045 Uiso 1 1 calc R U . . .
C18 C -0.0230(11) 0.4796(7) 0.1506(4) 0.030(2) Uani 1 1 d . . . . .
H18 H -0.0240 0.4299 0.1745 0.036 Uiso 1 1 calc R U . . .
C19 C 0.0041(11) 0.5844(8) 0.2365(4) 0.0311(19) Uani 1 1 d . . . . .
H19A H -0.0693 0.5572 0.2588 0.037 Uiso 1 1 calc R U . . .
H19B H -0.0103 0.6461 0.2383 0.037 Uiso 1 1 calc R U . . .
C20 C 0.1456(11) 0.5633(7) 0.2680(4) 0.035(3) Uani 1 1 d . . . . .
O1W O -0.066(2) 0.0257(13) 0.0287(8) 0.067(5) Uiso 0.5 1 d . . P . .
O21W O 0.455(3) 0.1229(17) 0.0780(9) 0.084(6) Uiso 0.5 1 d . . P . .
O22W O 0.440(2) 0.0513(15) 0.0635(8) 0.073(6) Uiso 0.5 1 d . . P . .
O31W O 0.1549(17) 0.1149(10) 0.0417(6) 0.054(4) Uiso 0.6 1 d . . P . .
O32W O 0.181(3) 0.0989(16) 0.0008(10) 0.066(7) Uiso 0.4 1 d . . P . .
O41W O 0.722(3) 0.1234(16) 0.0548(10) 0.123(7) Uiso 0.65 1 d . . P . .
O42W O 0.673(6) 0.096(4) 0.015(2) 0.145(16) Uiso 0.35 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
U1 O11 1.756(6) . ?
U1 O12 1.790(6) . ?
U1 O1 2.347(6) . ?
U1 O5 2.387(6) 1_545 ?
U1 O3 2.398(7) 3_565 ?
U1 O8 2.409(7) 3 ?
U1 O10 2.412(7) 2_545 ?
Ag1 N1 2.173(9) . ?
Ag1 N7 2.237(8) . ?
Ag1 N4 2.415(7) . ?
Ag1 O12 2.965(6) 2 ?
Ag1 Ag2 3.0628(12) 3_665 ?
Ag1 Ag3 3.3695(12) . ?
Ag2 N5 2.155(9) . ?
Ag2 N10 2.184(9) . ?
Ag2 N2 2.386(7) . ?
Ag2 Ag1 3.0628(12) 3_665 ?
Ag2 O12 3.277(6) 4_665 ?
Ag3 N14 2.155(8) 3_565 ?
Ag3 N8 2.203(9) . ?
Ag3 N13 2.507(8) . ?
Ag3 O4 3.333(7) . ?
O1 C4 1.285(12) . ?
O2 C4 1.233(12) . ?
O3 C8 1.280(11) . ?
O4 C8 1.212(12) . ?
O5 C12 1.272(12) . ?
O6 C12 1.212(13) . ?
O7 C16 1.236(11) . ?
O8 C16 1.284(11) . ?
O9 C20 1.258(11) . ?
O10 C20 1.273(12) . ?
O10 U1 2.412(7) 2 ?
N1 C1 1.300(11) . ?
N1 N2 1.387(11) . ?
N2 C2 1.325(13) . ?
N3 C1 1.334(12) . ?
N3 C2 1.365(11) . ?
N3 C3 1.475(12) . ?
N4 C5 1.316(13) . ?
N4 N5 1.383(11) . ?
N5 C6 1.303(12) . ?
N6 C6 1.355(14) . ?
N6 C5 1.361(11) . ?
N6 C7 1.447(12) . ?
N7 C9 1.276(12) . ?
N7 N8 1.388(11) . ?
N8 C10 1.331(13) . ?
N9 C9 1.349(13) . ?
N9 C10 1.377(12) . ?
N9 C11 1.447(12) . ?
N10 C13 1.307(12) . ?
N10 N11 1.389(13) . ?
N11 C14 1.308(14) . ?
N12 C13 1.355(14) . ?
N12 C14 1.367(13) . ?
N12 C15 1.435(13) . ?
N13 C17 1.327(12) . ?
N13 N14 1.380(12) . ?
N14 C18 1.322(11) . ?
N15 C18 1.336(12) . ?
N15 C17 1.353(12) . ?
N15 C19 1.450(11) . ?
C1 H1 0.9500 . ?
C2 H2 0.9500 . ?
C3 C4 1.517(13) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.556(14) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.542(13) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.494(15) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.509(14) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?


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
O11 U1 O12 179.2(3) . . ?
O11 U1 O1 92.1(3) . . ?
O12 U1 O1 87.1(3) . . ?
O11 U1 O5 91.0(3) . 1_545 ?
O12 U1 O5 89.7(3) . 1_545 ?
O1 U1 O5 145.8(3) . 1_545 ?
O11 U1 O3 88.6(3) . 3_565 ?
O12 U1 O3 91.2(3) . 3_565 ?
O1 U1 O3 73.5(2) . 3_565 ?
O5 U1 O3 140.7(2) 1_545 3_565 ?
O11 U1 O8 95.4(3) . 3 ?
O12 U1 O8 85.3(3) . 3 ?
O1 U1 O8 144.5(3) . 3 ?
O5 U1 O8 68.8(2) 1_545 3 ?
O3 U1 O8 72.0(2) 3_565 3 ?
O11 U1 O10 92.6(2) . 2_545 ?
O12 U1 O10 87.1(3) . 2_545 ?
O1 U1 O10 72.5(2) . 2_545 ?
O5 U1 O10 73.3(2) 1_545 2_545 ?
O3 U1 O10 146.0(2) 3_565 2_545 ?
O8 U1 O10 141.4(3) 3 2_545 ?
N1 Ag1 N7 142.2(3) . . ?
N1 Ag1 N4 114.8(3) . . ?
N7 Ag1 N4 88.8(3) . . ?
N1 Ag1 O12 85.9(3) . 2 ?
N7 Ag1 O12 99.5(2) . 2 ?
N4 Ag1 O12 132.8(2) . 2 ?
N1 Ag1 Ag2 106.5(2) . 3_665 ?
N7 Ag1 Ag2 109.8(2) . 3_665 ?
N4 Ag1 Ag2 67.6(2) . 3_665 ?
O12 Ag1 Ag2 65.85(13) 2 3_665 ?
N1 Ag1 Ag3 100.3(2) . . ?
N7 Ag1 Ag3 62.5(2) . . ?
N4 Ag1 Ag3 64.1(2) . . ?
O12 Ag1 Ag3 157.40(13) 2 . ?
Ag2 Ag1 Ag3 131.07(3) 3_665 . ?
N5 Ag2 N10 144.6(3) . . ?
N5 Ag2 N2 116.1(3) . . ?
N10 Ag2 N2 99.2(3) . . ?
N5 Ag2 Ag1 77.3(2) . 3_665 ?
N10 Ag2 Ag1 83.6(3) . 3_665 ?
N2 Ag2 Ag1 119.2(2) . 3_665 ?
N5 Ag2 O12 70.3(2) . 4_665 ?
N10 Ag2 O12 74.3(3) . 4_665 ?
N2 Ag2 O12 171.6(3) . 4_665 ?
Ag1 Ag2 O12 55.65(12) 3_665 4_665 ?
N14 Ag3 N8 164.4(3) 3_565 . ?
N14 Ag3 N13 106.7(3) 3_565 . ?
N8 Ag3 N13 84.3(3) . . ?
N14 Ag3 O4 80.2(3) 3_565 . ?
N8 Ag3 O4 91.2(3) . . ?
N13 Ag3 O4 167.4(3) . . ?
N14 Ag3 Ag1 108.0(2) 3_565 . ?
N8 Ag3 Ag1 64.4(2) . . ?
N13 Ag3 Ag1 71.5(2) . . ?
O4 Ag3 Ag1 116.97(14) . . ?
C4 O1 U1 139.2(5) . . ?
C8 O3 U1 128.9(6) . 3_565 ?
C8 O4 Ag3 143.8(7) . . ?
C12 O5 U1 142.1(6) . 1_565 ?
C16 O8 U1 125.4(6) . 3 ?
C20 O10 U1 131.6(6) . 2 ?
C1 N1 N2 106.7(8) . . ?
C1 N1 Ag1 132.2(7) . . ?
N2 N1 Ag1 121.0(6) . . ?
C2 N2 N1 107.2(7) . . ?
C2 N2 Ag2 129.5(7) . . ?
N1 N2 Ag2 120.4(6) . . ?
C1 N3 C2 105.8(8) . . ?
C1 N3 C3 130.3(8) . . ?
C2 N3 C3 123.6(8) . . ?
C5 N4 N5 107.9(8) . . ?
C5 N4 Ag1 127.2(7) . . ?
N5 N4 Ag1 122.7(6) . . ?
C6 N5 N4 106.2(9) . . ?
C6 N5 Ag2 133.8(7) . . ?
N4 N5 Ag2 119.8(5) . . ?
C6 N6 C5 104.7(8) . . ?
C6 N6 C7 127.7(8) . . ?
C5 N6 C7 127.4(9) . . ?
C9 N7 N8 107.8(8) . . ?
C9 N7 Ag1 133.9(7) . . ?
N8 N7 Ag1 117.4(6) . . ?
C10 N8 N7 106.8(8) . . ?
C10 N8 Ag3 134.5(7) . . ?
N7 N8 Ag3 115.3(6) . . ?
C9 N9 C10 105.1(8) . . ?
C9 N9 C11 127.9(9) . . ?
C10 N9 C11 126.6(9) . . ?
C13 N10 N11 108.2(9) . . ?
C13 N10 Ag2 131.8(8) . . ?
N11 N10 Ag2 120.0(6) . . ?
C14 N11 N10 106.1(8) . . ?
C13 N12 C14 105.1(8) . . ?
C13 N12 C15 126.9(9) . . ?
C14 N12 C15 127.6(9) . . ?
C17 N13 N14 105.5(8) . . ?
C17 N13 Ag3 122.4(7) . . ?
N14 N13 Ag3 128.1(6) . . ?
C18 N14 N13 106.9(8) . . ?
C18 N14 Ag3 132.0(7) . 3_565 ?
N13 N14 Ag3 121.2(5) . 3_565 ?
C18 N15 C17 103.9(7) . . ?
C18 N15 C19 129.4(8) . . ?
C17 N15 C19 126.6(9) . . ?
N1 C1 N3 111.4(8) . . ?
N1 C1 H1 124.3 . . ?
N3 C1 H1 124.3 . . ?
N2 C2 N3 108.8(9) . . ?
N2 C2 H2 125.6 . . ?
N3 C2 H2 125.6 . . ?
N3 C3 C4 113.5(8) . . ?
N3 C3 H3A 108.9 . . ?
C4 C3 H3A 108.9 . . ?
N3 C3 H3B 108.9 . . ?
C4 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
O2 C4 O1 123.7(8) . . ?
O2 C4 C3 122.9(9) . . ?
O1 C4 C3 113.1(9) . . ?
N4 C5 N6 109.6(9) . . ?
N4 C5 H5 125.2 . . ?
N6 C5 H5 125.2 . . ?
N5 C6 N6 111.5(8) . . ?
N5 C6 H6 124.2 . . ?
N6 C6 H6 124.2 . . ?
N6 C7 C8 110.7(8) . . ?
N6 C7 H7A 109.5 . . ?
C8 C7 H7A 109.5 . . ?
N6 C7 H7B 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 108.1 . . ?
O4 C8 O3 127.4(10) . . ?
O4 C8 C7 120.7(9) . . ?
O3 C8 C7 112.0(8) . . ?
N7 C9 N9 111.7(9) . . ?
N7 C9 H9 124.2 . . ?
N9 C9 H9 124.2 . . ?
N8 C10 N9 108.6(9) . . ?
N8 C10 H10 125.7 . . ?
N9 C10 H10 125.7 . . ?
N9 C11 C12 112.5(8) . . ?
N9 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
N9 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
O6 C12 O5 126.0(9) . . ?
O6 C12 C11 120.1(9) . . ?
O5 C12 C11 113.8(9) . . ?
N10 C13 N12 109.8(9) . . ?
N10 C13 H13 125.1 . . ?
N12 C13 H13 125.1 . . ?
N11 C14 N12 110.8(11) . . ?
N11 C14 H14 124.6 . . ?
N12 C14 H14 124.6 . . ?
N12 C15 C16 112.8(8) . . ?
N12 C15 H15A 109.0 . . ?
C16 C15 H15A 109.0 . . ?
N12 C15 H15B 109.0 . . ?
C16 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
O7 C16 O8 125.6(10) . . ?
O7 C16 C15 118.9(9) . . ?
O8 C16 C15 115.5(8) . . ?
N13 C17 N15 111.9(9) . . ?
N13 C17 H17 124.1 . . ?
N15 C17 H17 124.1 . . ?
N14 C18 N15 111.8(9) . . ?
N14 C18 H18 124.1 . . ?
N15 C18 H18 124.1 . . ?
N15 C19 C20 113.2(8) . . ?
N15 C19 H19A 108.9 . . ?
C20 C19 H19A 108.9 . . ?
N15 C19 H19B 108.9 . . ?
C20 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
O9 C20 O10 124.9(10) . . ?
O9 C20 C19 115.9(9) . . ?
O10 C20 C19 119.0(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 N1 N2 C2 0.8(11) . . . . ?
Ag1 N1 N2 C2 -175.9(7) . . . . ?
C1 N1 N2 Ag2 -161.8(7) . . . . ?
Ag1 N1 N2 Ag2 21.5(10) . . . . ?
C5 N4 N5 C6 -1.7(11) . . . . ?
Ag1 N4 N5 C6 162.5(7) . . . . ?
C5 N4 N5 Ag2 -177.2(7) . . . . ?
Ag1 N4 N5 Ag2 -13.1(10) . . . . ?
C9 N7 N8 C10 -0.1(11) . . . . ?
Ag1 N7 N8 C10 170.2(7) . . . . ?
C9 N7 N8 Ag3 -162.3(7) . . . . ?
Ag1 N7 N8 Ag3 8.0(8) . . . . ?
C13 N10 N11 C14 1.8(15) . . . . ?
Ag2 N10 N11 C14 -177.5(10) . . . . ?
C17 N13 N14 C18 -2.8(11) . . . . ?
Ag3 N13 N14 C18 154.6(7) . . . . ?
C17 N13 N14 Ag3 176.9(7) . . . 3_565 ?
Ag3 N13 N14 Ag3 -25.6(11) . . . 3_565 ?
N2 N1 C1 N3 -1.2(11) . . . . ?
Ag1 N1 C1 N3 175.0(7) . . . . ?
C2 N3 C1 N1 1.1(12) . . . . ?
C3 N3 C1 N1 176.4(10) . . . . ?
N1 N2 C2 N3 -0.2(12) . . . . ?
Ag2 N2 C2 N3 160.3(7) . . . . ?
C1 N3 C2 N2 -0.6(12) . . . . ?
C3 N3 C2 N2 -176.2(10) . . . . ?
C1 N3 C3 C4 47.8(15) . . . . ?
C2 N3 C3 C4 -137.7(10) . . . . ?
U1 O1 C4 O2 143.0(8) . . . . ?
U1 O1 C4 C3 -43.3(14) . . . . ?
N3 C3 C4 O2 -22.2(14) . . . . ?
N3 C3 C4 O1 164.0(8) . . . . ?
N5 N4 C5 N6 2.5(12) . . . . ?
Ag1 N4 C5 N6 -160.8(7) . . . . ?
C6 N6 C5 N4 -2.3(12) . . . . ?
C7 N6 C5 N4 172.5(10) . . . . ?
N4 N5 C6 N6 0.3(11) . . . . ?
Ag2 N5 C6 N6 174.9(7) . . . . ?
C5 N6 C6 N5 1.2(12) . . . . ?
C7 N6 C6 N5 -173.6(9) . . . . ?
C6 N6 C7 C8 87.5(12) . . . . ?
C5 N6 C7 C8 -86.1(12) . . . . ?
Ag3 O4 C8 O3 -158.3(7) . . . . ?
Ag3 O4 C8 C7 22.9(17) . . . . ?
U1 O3 C8 O4 23.2(14) 3_565 . . . ?
U1 O3 C8 C7 -157.9(6) 3_565 . . . ?
N6 C7 C8 O4 -0.4(13) . . . . ?
N6 C7 C8 O3 -179.4(8) . . . . ?
N8 N7 C9 N9 -0.9(11) . . . . ?
Ag1 N7 C9 N9 -169.0(7) . . . . ?
C10 N9 C9 N7 1.6(11) . . . . ?
C11 N9 C9 N7 173.9(9) . . . . ?
N7 N8 C10 N9 1.1(11) . . . . ?
Ag3 N8 C10 N9 158.3(7) . . . . ?
C9 N9 C10 N8 -1.6(11) . . . . ?
C11 N9 C10 N8 -174.1(9) . . . . ?
C9 N9 C11 C12 -71.7(13) . . . . ?
C10 N9 C11 C12 99.1(12) . . . . ?
U1 O5 C12 O6 -147.4(9) 1_565 . . . ?
U1 O5 C12 C11 35.2(15) 1_565 . . . ?
N9 C11 C12 O6 -3.9(14) . . . . ?
N9 C11 C12 O5 173.7(8) . . . . ?
N11 N10 C13 N12 -1.3(14) . . . . ?
Ag2 N10 C13 N12 177.8(8) . . . . ?
C14 N12 C13 N10 0.4(14) . . . . ?
C15 N12 C13 N10 173.4(10) . . . . ?
N10 N11 C14 N12 -1.6(16) . . . . ?
C13 N12 C14 N11 0.8(16) . . . . ?
C15 N12 C14 N11 -172.2(12) . . . . ?
C13 N12 C15 C16 -104.3(13) . . . . ?
C14 N12 C15 C16 67.2(16) . . . . ?
U1 O8 C16 O7 17.2(15) 3 . . . ?
U1 O8 C16 C15 -164.9(8) 3 . . . ?
N12 C15 C16 O7 -11.4(16) . . . . ?
N12 C15 C16 O8 170.5(9) . . . . ?
N14 N13 C17 N15 3.0(12) . . . . ?
Ag3 N13 C17 N15 -156.0(7) . . . . ?
C18 N15 C17 N13 -2.0(12) . . . . ?
C19 N15 C17 N13 176.4(9) . . . . ?
N13 N14 C18 N15 1.7(12) . . . . ?
Ag3 N14 C18 N15 -178.0(7) 3_565 . . . ?
C17 N15 C18 N14 0.1(11) . . . . ?
C19 N15 C18 N14 -178.3(9) . . . . ?
C18 N15 C19 C20 70.2(14) . . . . ?
C17 N15 C19 C20 -107.9(12) . . . . ?
U1 O10 C20 O9 -20.4(16) 2 . . . ?
U1 O10 C20 C19 154.8(8) 2 . . . ?
N15 C19 C20 O9 -153.3(9) . . . . ?
N15 C19 C20 O10 31.1(15) . . . . ?


#--------------------Hydrogen bonding scheme-----------------------------# 

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag

#
# Hydrogen bonding scheme
# ======== ======= ======
#
#  D     H     A      D-H      H...A     D...A        D-H...A    symm   publ
#  -     -     -      ---      -----     -----        -------    ----   ----

C1 H1 O10 0.95 2.51 3.302(12) 141 . yes
C1 H1 O5 0.95 2.31 3.124(11) 143 2_545 yes
C2 H2 O31W 0.95 2.42 3.302(19) 155 . yes
C3 H3A O6 0.99 2.78 3.468(13) 127 2_545 yes
C5 H5 O41W 0.95 2.65 3.35(3) 131 3_665 yes
C6 H6 O8 0.95 2.70 3.640(12) 172 2_554 yes
C6 H6 O12 0.95 2.46 3.046(13) 120 4_665 yes
C13 H13 O3 0.95 2.47 3.366(11) 157 2_544 yes
C14 H14 O42W 0.95 2.49 3.06(5) 119 . yes
C14 H14 O22W 0.95 2.78 3.41(2) 125 . yes
C14 H14 O22W 0.95 2.58 3.45(3) 153 3_655 yes
C15 H15A O2 0.99 2.76 3.212(13) 108 4_665 yes
C15 H15A O9 0.99 2.69 3.659(15) 166 4_665 yes
C17 H17 O6 0.95 2.72 3.527(13) 143 . yes
C18 H18 O2 0.95 2.35 3.128(12) 139 . yes
C18 H18 O4 0.95 2.67 3.392(14) 133 3_565 yes
C19 H19A O8 0.99 2.34 3.287(13) 161 4_566 yes
C19 H19B O6 0.99 2.59 3.505(14) 154 . yes
C9 H9 O1 0.95 2.27 3.130(11) 150 2_555 yes
C9 H9 O2 0.95 2.76 3.518(12) 137 2_555 yes
C10 H10 O1W 0.95 2.74 3.30(2) 118 3_565 yes
C10 H10 O31W 0.95 2.34 3.272(19) 165 3_565 yes
C10 H10 O32W 0.95 2.25 3.19(3) 170 3_565 yes
C11 H11A O7 0.99 2.63 3.270(14) 122 3_565 yes
C11 H11A O1W 0.99 2.65 3.62(2) 168 1_565 yes
C11 H11A O11 0.99 2.65 3.262(12) 120 1_565 yes
C11 H11B O9 0.99 2.40 3.285(13) 149 2_555 yes


_refine_diff_density_max         1.081
_refine_diff_density_min         -1.105
_refine_diff_density_rms         0.189







#   -------------  END of CIF  -----------------#



