#------------------------------------------------------------------------------
#$Date: 2021-04-30 12:00:36 +0300 (Fri, 30 Apr 2021) $
#$Revision: 264723 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/23/1562319.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_1562319
loop_
_publ_author_name
'Rana, Abhinandan'
'Kumar Jana, Swapan'
'Pal, Tanusri'
'Puschmann, Horst'
'Zangrando, Ennio'
'Dalai, Sudipta'
_publ_section_title
;
 Electrical conductivity and luminescence properties of two silver(I)
 coordination polymers with heterocyclic nitrogen ligands
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              49
_journal_page_last               55
_journal_paper_doi               10.1016/j.jssc.2014.04.026
_journal_volume                  216
_journal_year                    2014
_chemical_formula_moiety         '(C29 H24 Ag8 N2 O28), 3(H2 O)'
_chemical_formula_sum            'C29 H34 Ag8 N2 O31'
_chemical_formula_weight         1769.54
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                96.4983(19)
_cell_angle_beta                 96.444(2)
_cell_angle_gamma                110.913(2)
_cell_formula_units_Z            1
_cell_length_a                   7.9407(2)
_cell_length_b                   10.2061(2)
_cell_length_c                   13.7769(3)
_cell_measurement_reflns_used    18215
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      29.1683
_cell_measurement_theta_min      2.7783
_cell_volume                     1022.17(4)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.38 (release 10-08-2010 CrysAlis171 .NET)
(compiled Aug 10 2010,17:59:35)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.38 (release 10-08-2010 CrysAlis171 .NET)
(compiled Aug 10 2010,17:59:35)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.38 (release 10-08-2010 CrysAlis171 .NET)
(compiled Aug 10 2010,17:59:35)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
'olex2.refine (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard, H. Puschmann, in preparation, 2011)'
_computing_structure_solution
'olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard, H. Puschmann, in preparation, 2011)'
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean 16.1511
_diffrn_measured_fraction_theta_full 0.999254
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -2.00   24.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -15.0000   18.0000 26

#__ type_ start__ end____ width___ exp.time_
  2 omega  -88.00    9.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -77.0000  -30.0000 97

#__ type_ start__ end____ width___ exp.time_
  3 omega  -46.00   45.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366   77.0000   90.0000 91

#__ type_ start__ end____ width___ exp.time_
  4 omega  -46.00   14.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366   77.0000 -120.0000 60

#__ type_ start__ end____ width___ exp.time_
  5 omega  -84.00  -39.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -15.0000   18.0000 45

#__ type_ start__ end____ width___ exp.time_
  6 omega   -8.00   19.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616   77.0000 -150.0000 27

#__ type_ start__ end____ width___ exp.time_
  7 omega  -52.00   -7.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -38.0000 -180.0000 45

#__ type_ start__ end____ width___ exp.time_
  8 omega  -94.00  -32.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  179.0000 -120.0000 62

#__ type_ start__ end____ width___ exp.time_
  9 omega  -90.00    8.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -38.0000 -180.0000 98

#__ type_ start__ end____ width___ exp.time_
 10 omega  -88.00   12.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -77.0000  150.0000 100

#__ type_ start__ end____ width___ exp.time_
 11 omega  -94.00  -32.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  179.0000   60.0000 62

#__ type_ start__ end____ width___ exp.time_
 12 omega  -88.00   12.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -77.0000   30.0000 100

#__ type_ start__ end____ width___ exp.time_
 13 omega  -54.00   28.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -38.0000 -120.0000 82

#__ type_ start__ end____ width___ exp.time_
 14 omega  -48.00   52.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366   77.0000  -60.0000 100

#__ type_ start__ end____ width___ exp.time_
 15 omega  -94.00  -32.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  179.0000    0.0000 62

#__ type_ start__ end____ width___ exp.time_
 16 omega  -88.00   12.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -77.0000  -90.0000 100

#__ type_ start__ end____ width___ exp.time_
 17 omega  -52.00   49.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -77.0000 -120.0000 101

#__ type_ start__ end____ width___ exp.time_
 18 omega  -52.00   49.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -77.0000 -180.0000 101

#__ type_ start__ end____ width___ exp.time_
 19 omega  -52.00   49.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -77.0000   30.0000 101

#__ type_ start__ end____ width___ exp.time_
 20 omega  -52.00   49.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -77.0000  -60.0000 101

#__ type_ start__ end____ width___ exp.time_
 21 omega  -54.00   40.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616    0.0000 -180.0000 94

#__ type_ start__ end____ width___ exp.time_
 22 omega  -52.00   49.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -77.0000   90.0000 101
;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0816101000
_diffrn_orient_matrix_UB_12      -0.0128551000
_diffrn_orient_matrix_UB_13      -0.0025261000
_diffrn_orient_matrix_UB_21      0.0436262000
_diffrn_orient_matrix_UB_22      0.0696932000
_diffrn_orient_matrix_UB_23      -0.0101671000
_diffrn_orient_matrix_UB_31      0.0288894000
_diffrn_orient_matrix_UB_32      0.0258418000
_diffrn_orient_matrix_UB_33      0.0514776000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            36280
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         29.23
_diffrn_reflns_theta_min         2.78
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.862
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76458
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.38 (release 10-08-2010 CrysAlis171 .NET)
(compiled Aug 10 2010,17:59:35)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.875
_exptl_crystal_description       'rect. Prism'
_exptl_crystal_F_000             846.0
_exptl_crystal_size_max          0.1865
_exptl_crystal_size_mid          0.1024
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.247304
_refine_diff_density_min         -1.012034
_refine_diff_density_rms         0.214871
_refine_ls_d_res_high            0.727671
_refine_ls_d_res_low             7.316629
_refine_ls_goodness_of_fit_ref   1.051453
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    33
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5152
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.049599
_refine_ls_R_factor_all          0.033823
_refine_ls_R_factor_gt           0.024750
_refine_ls_shift/su_max          0.0013
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0175P)²+2.0117P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.051347
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              10
_reflns_limit_h_min              -10
_reflns_limit_k_max              13
_reflns_limit_k_min              -14
_reflns_limit_l_max              18
_reflns_limit_l_min              0
_reflns_number_gt                4471
_reflns_number_total             5152
_reflns_threshold_expression     I>2u(I)
_cod_data_source_file            JSSC-2014-216-49.cif
_cod_data_source_block           2
_cod_original_cell_volume        1022.17(5)
_cod_database_code               1562319
_reflns_odcompleteness_completeness 99.76
_reflns_odcompleteness_iscentric 0
_reflns_odcompleteness_theta     26.32
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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
Ag1 Ag 0.32386(3) -0.20180(2) -0.220060(19) 0.01392(7) Uani 1.000000
Ag2 Ag 0.03528(3) 0.75244(2) -0.106891(17) 0.01329(7) Uani 1.000000
Ag3 Ag -0.21174(3) -0.11072(3) -0.045746(18) 0.01759(7) Uani 1.000000
Ag4 Ag -0.59764(3) -0.15075(2) -0.485111(18) 0.01355(7) Uani 1.000000
O1W O 0.6301(3) 0.6426(3) -0.1615(2) 0.0279(6) Uani 1.000000
H1Wa H 0.5148(15) 0.617(5) -0.173(3) 0.048(3) Uiso 1.000000
H1Wb H 0.678(5) 0.673(5) -0.211(2) 0.048(3) Uiso 1.000000
O2w O -0.4809(4) -0.1230(3) 0.0384(2) 0.0361(7) Uani 1.000000
H2wa H -0.566(4) -0.100(5) 0.013(2) 0.048(3) Uiso 1.000000
H2wb H -0.465(5) -0.104(5) 0.1007(7) 0.048(3) Uiso 1.000000
C1 C 0.1270(4) 0.1360(3) -0.3618(2) 0.0080(6) Uani 1.000000
H1 H 0.0600(4) 0.1548(3) -0.4212(2) 0.0096(7) Uiso 1.000000
C2 C 0.2074(4) 0.2830(3) -0.2923(2) 0.0091(6) Uani 1.000000
H2 H 0.2718(4) 0.3526(3) -0.3342(2) 0.0110(7) Uiso 1.000000
C3 C 0.0497(4) 0.3250(3) -0.2666(2) 0.0086(6) Uani 1.000000
H3 H -0.0187(4) 0.3226(3) -0.3327(2) 0.0104(7) Uiso 1.000000
C4 C -0.0934(4) 0.2151(3) -0.2195(2) 0.0079(6) Uani 1.000000
H4 H -0.1973(4) 0.2482(3) -0.2168(2) 0.0095(7) Uiso 1.000000
C5 C -0.1684(4) 0.0739(3) -0.2921(2) 0.0082(6) Uani 1.000000
H5 H -0.2229(4) 0.0969(3) -0.3538(2) 0.0099(7) Uiso 1.000000
C6 C -0.0225(4) 0.0189(3) -0.3253(2) 0.0073(5) Uani 1.000000
H6 H -0.0871(4) -0.0540(3) -0.3856(2) 0.0088(7) Uiso 1.000000
N1 N -0.8466(4) -0.3760(3) -0.4954(2) 0.0160(6) Uani 1.000000
C7 C -0.8576(5) -0.5021(3) -0.5447(2) 0.0177(7) Uani 1.000000
H7 H -0.762117 -0.507360 -0.576283 0.0212 Uiso 0.500000
C8 C -0.9879(5) -0.3762(3) -0.4520(2) 0.0170(7) Uani 1.000000
H8 H -0.9832(5) -0.2890(3) -0.4169(2) 0.0204(8) Uiso 1.000000
C9 C -0.7069(11) -0.5080(8) -0.5944(6) 0.0319(17) Uani 0.500000
H9a H -0.721(4) -0.482(6) -0.6602(17) 0.048(3) Uiso 0.500000
H9b H -0.5909(12) -0.441(4) -0.555(2) 0.048(3) Uiso 0.500000
H9c H -0.707(5) -0.6047(17) -0.601(4) 0.048(3) Uiso 0.500000
C11 C 0.2633(4) 0.0808(3) -0.4046(2) 0.0099(6) Uani 1.000000
O11 O 0.2016(3) -0.0416(2) -0.45348(15) 0.0112(4) Uani 1.000000
O12 O 0.4298(3) 0.1659(2) -0.39378(17) 0.0164(5) Uani 1.000000
C21 C 0.3475(4) 0.3063(3) -0.2009(2) 0.0112(6) Uani 1.000000
O21 O 0.4963(3) 0.2810(3) -0.21429(17) 0.0189(5) Uani 1.000000
H21 H 0.485(2) 0.243(4) -0.2733(8) 0.0284(8) Uiso 1.000000
O22 O 0.3362(3) 0.3587(2) -0.11942(16) 0.0153(5) Uani 1.000000
C31 C 0.1117(4) 0.4805(3) -0.2168(2) 0.0110(6) Uani 1.000000
O31 O 0.2553(3) 0.5664(2) -0.24026(19) 0.0193(5) Uani 1.000000
O32 O 0.0134(3) 0.5146(2) -0.16263(18) 0.0186(5) Uani 1.000000
C41 C -0.0313(4) 0.2000(3) -0.1134(2) 0.0111(6) Uani 1.000000
O41 O -0.0599(3) 0.2804(2) -0.04554(16) 0.0193(5) Uani 1.000000
O42 O 0.0390(3) 0.1110(2) -0.09936(15) 0.0130(4) Uani 1.000000
C51 C -0.3293(4) -0.0411(3) -0.2617(2) 0.0111(6) Uani 1.000000
O51 O -0.3591(3) -0.0265(2) -0.17375(16) 0.0127(4) Uani 1.000000
O52 O -0.4308(3) -0.1429(2) -0.32813(16) 0.0147(5) Uani 1.000000
C61 C 0.0516(4) -0.0593(3) -0.2543(2) 0.0089(6) Uani 1.000000
O61 O -0.0674(3) -0.1669(2) -0.23064(16) 0.0118(4) Uani 1.000000
O62 O 0.2209(3) -0.0226(2) -0.23071(15) 0.0107(4) Uani 1.000000
O3w O 0.2711(4) 0.5497(3) 0.0372(2) 0.0317(6) Uani 1.000000
H3wa H 0.204(5) 0.588(5) 0.064(3) 0.048(3) Uiso 1.000000
H3wb H 0.317(6) 0.511(5) 0.079(2) 0.048(3) Uiso 1.000000
O4WA O -0.563(3) -0.599(2) -0.6573(13) 0.073(4) Uiso 0.250000
O4WB O -0.521(3) -0.5753(19) -0.6099(13) 0.073(4) Uiso 0.250000
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H 0.00000 0.00000 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
C 0.00347 0.00161 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
Ag -0.87744 1.09825 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
O 0.01158 0.00611 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
N 0.00653 0.00323 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1 0 0 0.0250 1.0000 -0.0000 0.0000 0.0816 0.0436 0.0288
-1 0 0 0.0250 -1.0000 0.0000 -0.0000 -0.0816 -0.0436 -0.0288
1 0 -1 0.0377 1.0000 -0.0000 -1.0000 0.0841 0.0538 -0.0227
-1 0 1 0.0377 -1.0000 0.0000 1.0000 -0.0841 -0.0538 0.0227
0 -1 0 0.0720 0.0000 -1.0000 -0.0000 0.0128 -0.0697 -0.0259
0 1 0 0.0720 -0.0000 1.0000 0.0000 -0.0128 0.0697 0.0259
-1 0 -1 0.0414 -1.0000 0.0000 -1.0000 -0.0791 -0.0334 -0.0802
1 0 1 0.0414 1.0000 -0.0000 1.0000 0.0791 0.0334 0.0802
0 0 -2 0.0482 0.0000 0.0000 -2.0000 0.0049 0.0203 -0.1029
0 0 2 0.0482 -0.0000 -0.0000 2.0000 -0.0049 -0.0203 0.1029
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
O51 Ag1 Ag2 127.51(5) 1_655 1_545
O31 Ag1 Ag2 87.08(6) 1_545 1_545
O31 Ag1 O51 122.91(8) 1_545 1_655
O52 Ag1 Ag2 174.12(5) 1_655 1_545
O52 Ag1 O51 52.72(7) 1_655 1_655
O52 Ag1 O31 97.39(8) 1_655 1_545
O62 Ag1 Ag2 72.63(5) . 1_545
O62 Ag1 O51 90.04(7) . 1_655
O62 Ag1 O31 146.95(8) . 1_545
O62 Ag1 O52 101.66(7) . 1_655
O41 Ag2 Ag1 123.72(7) 2_565 1_565
O32 Ag2 Ag1 77.67(5) . 1_565
O32 Ag2 O41 90.87(8) . 2_565
O61 Ag2 Ag1 79.13(5) 1_565 1_565
O61 Ag2 O41 153.27(8) 1_565 2_565
O61 Ag2 O32 109.04(8) 1_565 .
O42 Ag3 O51 160.46(7) 2 .
O2w Ag3 O51 84.84(8) . .
O2w Ag3 O42 92.23(9) . 2
N1 Ag4 O52 99.01(8) . .
O11 Ag4 O52 106.05(8) 1_455 .
O11 Ag4 N1 87.84(8) 1_455 .
O12 Ag4 O52 109.88(8) 2_554 .
O12 Ag4 N1 109.61(8) 2_554 .
O12 Ag4 O11 136.42(8) 2_554 1_455
O11 C11 C1 117.4(3) . .
O12 C11 C1 118.1(3) . .
O12 C11 O11 124.3(3) . .
C41 O41 Ag2 121.52(19) . 2_565
H1Wb O1W H1Wa 111(2) . .
C21 O21 H21 109.5 . .
Ag3 O51 Ag1 106.39(8) . 1_455
C51 O51 Ag1 92.21(18) . 1_455
C51 O51 Ag3 121.09(19) . .
C31 O32 Ag2 125.92(19) . .
C31 O31 Ag1 122.8(2) . 1_565
Ag4 O52 Ag1 102.62(8) . 1_455
C51 O52 Ag1 89.69(17) . 1_455
C51 O52 Ag4 132.33(19) . .
H1 C1 C11 103.44(15) . .
C6 C1 C11 111.8(2) . .
C6 C1 H1 103.44(15) . .
C2 C1 C11 117.0(2) . .
C2 C1 H1 103.44(15) . .
C2 C1 C6 115.5(2) . .
C3 C4 H4 106.32(15) . .
C41 C4 H4 106.32(16) . .
C41 C4 C3 116.1(2) . .
C5 C4 H4 106.32(15) . .
C5 C4 C3 107.6(2) . .
C5 C4 C41 113.5(2) . .
H3wb O3w H3wa 110(2) . .
O31 C31 O32 125.1(3) . .
C3 C31 O32 118.7(3) . .
C3 C31 O31 116.0(3) . .
H6 C6 C1 104.93(15) . .
C5 C6 C1 110.6(2) . .
C5 C6 H6 104.93(15) . .
C61 C6 C1 113.6(2) . .
C61 C6 H6 104.93(15) . .
C61 C6 C5 116.6(2) . .
C7 N1 Ag4 125.4(2) . .
C8 N1 Ag4 117.6(2) . .
C8 N1 C7 116.9(3) . .
C8 C7 N1 119.8(3) 2_344 .
C7 C8 N1 123.3(3) 2_344 .
H8 C8 N1 118.36(18) . .
H8 C8 C7 118.4(2) . 2_344
C61 O61 Ag2 114.01(19) . 1_545
C31 C3 C4 115.8(2) . .
H3 C3 C4 103.61(15) . .
H3 C3 C31 103.61(16) . .
C2 C3 C4 114.9(2) . .
C2 C3 C31 113.2(2) . .
C2 C3 H3 103.61(16) . .
C4 C41 O41 115.6(3) . .
O42 C41 O41 125.0(3) . .
O42 C41 C4 119.5(3) . .
C41 O42 Ag3 125.24(19) . 2
C6 C5 C4 115.3(2) . .
H5 C5 C4 104.30(15) . .
H5 C5 C6 104.30(15) . .
C51 C5 C4 113.8(2) . .
C51 C5 C6 113.3(2) . .
C51 C5 H5 104.30(16) . .
C11 O11 Ag4 118.58(19) . 1_655
C61 O62 Ag1 115.89(18) . .
C11 O12 Ag4 119.51(19) . 2_554
H2wa O2w Ag3 122(2) . .
H2wb O2w Ag3 119(2) . .
H2wb O2w H2wa 110(2) . .
O61 C61 C6 115.5(3) . .
O62 C61 C6 119.3(2) . .
O62 C61 O61 124.9(3) . .
C3 C2 C1 108.6(2) . .
H2 C2 C1 105.31(15) . .
H2 C2 C3 105.31(15) . .
C21 C2 C1 119.7(2) . .
C21 C2 C3 111.5(2) . .
C21 C2 H2 105.31(15) . .
O21 C21 O22 119.5(3) . .
C2 C21 O22 122.9(3) . .
C2 C21 O21 117.2(3) . .
O52 C51 O51 123.4(3) . .
C5 C51 O51 119.2(3) . .
C5 C51 O52 117.4(3) . .
H9b C9 H9a 109.5 . .
H9c C9 H9a 109.5 . .
H9c C9 H9b 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Ag2 2.8466(3) 1_545
Ag1 O51 2.472(2) 1_655
Ag1 O31 2.206(2) 1_545
Ag1 O52 2.528(2) 1_655
Ag1 O62 2.266(2) .
Ag2 O41 2.162(2) 2_565
Ag2 O32 2.400(2) .
Ag2 O61 2.176(2) 1_565
Ag3 O51 2.412(2) .
Ag3 O42 2.295(2) 2
Ag3 O2w 2.515(3) .
Ag4 Ag4 3.0106(5) 2_454
Ag4 O52 2.383(2) .
Ag4 N1 2.415(3) .
Ag4 O11 2.299(2) 1_455
Ag4 O12 2.274(2) 2_554
O1W H1Wa 0.848(10) .
O1W H1Wb 0.849(10) .
O2w H2wa 0.842(9) .
O2w H2wb 0.844(9) .
C11 C1 1.530(4) .
C11 O11 1.246(4) .
C11 O12 1.277(4) .
O22 C21 1.214(4) .
O41 C41 1.267(4) .
O21 H21 0.8400 .
O21 C21 1.324(4) .
O51 C51 1.263(4) .
O32 C31 1.246(4) .
O31 C31 1.268(4) .
O52 C51 1.260(4) .
C1 H1 1.0000 .
C1 C6 1.532(4) .
C1 C2 1.558(4) .
C4 H4 1.0000 .
C4 C3 1.545(4) .
C4 C41 1.533(4) .
C4 C5 1.536(4) .
O3w H3wa 0.856(10) .
O3w H3wb 0.854(10) .
C31 C3 1.533(4) .
C6 H6 1.0000 .
C6 C5 1.547(4) .
C6 C61 1.524(4) .
N1 C7 1.354(4) .
N1 C8 1.329(4) .
C7 H7 0.9500 .
C7 C8 1.392(4) 2_344
C7 C9 1.459(8) .
C8 H8 0.9500 .
O61 C61 1.270(3) .
C3 H3 1.0000 .
C3 C2 1.525(4) .
C41 O42 1.246(4) .
C5 H5 1.0000 .
C5 C51 1.532(4) .
O62 C61 1.252(4) .
C2 H2 1.0000 .
C2 C21 1.520(4) .
C9 H9a 0.9800 .
C9 H9b 0.9800 .
C9 H9c 0.9800 .
loop_
_restr_distance_atom_site_label_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
_restr_distance_diff
O1W H1Wa 1 0.8500 0.0100 0.0015
O1W H1Wb 1 0.8500 0.0100 0.0008
O3w H3wa 1 0.8500 0.0100 -0.0060
O3w H3wb 1 0.8500 0.0100 -0.0036
O2w H2wa 1 0.8500 0.0100 0.0078
O2w H2wb 1 0.8500 0.0100 0.0063
H1Wb H1Wa 1 1.3870 0.0200 -0.0102
H3wb H3wa 1 1.3870 0.0200 -0.0153
H2wb H2wa 1 1.3870 0.0200 0.0051
loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_id
Ag3 H2wa 1 1
Ag3 H2wb 1 1
loop_
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
_restr_equal_distance_class_average
_restr_equal_distance_class_esd
_restr_equal_distance_class_diff_max
1 0.0200 3.0330 0.0150 0.0150
