#------------------------------------------------------------------------------
#$Date: 2025-10-06 11:21:26 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302636 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/90/7719081.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_7719081
loop_
_publ_author_name
'Contini, Laura'
'Turner, Raymond J.'
'Grepioni, Fabrizia'
_publ_section_title
;
 Zinc(II), copper(II) and silver(I) salicylate-metronidazole complexes as
 novel antimicrobial agents.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11925
_journal_page_last               11934
_journal_paper_doi               10.1039/d5dt01086a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         '2(C13 H14 Ag N3 O6)'
_chemical_formula_sum            'C26 H28 Ag2 N6 O12'
_chemical_formula_weight         832.28
_chemical_name_systematic        Ag(Sal)(MET)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-09-10
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-05-05 deposited with the CCDC.	2025-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.718(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4945(3)
_cell_length_b                   7.4847(2)
_cell_length_c                   50.9813(19)
_cell_measurement_reflns_used    5234
_cell_measurement_temperature    298
_cell_measurement_theta_max      26.4310
_cell_measurement_theta_min      2.3850
_cell_volume                     2858.46(17)
_computing_cell_refinement       'CrysAlisPro 1.171.43.127a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.127a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.127a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1385
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     39.00  73.50   0.75   22.33    --   17.46 178.00  30.00   46
  2  ω    -26.00  74.50   0.75   22.33    --   17.46   0.00 -60.00  134
  3  ω      8.00  81.50   0.75   22.33    --   17.46  38.00-180.00   98
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0391940000
_diffrn_orient_matrix_UB_12      0.0521816000
_diffrn_orient_matrix_UB_13      0.0099056000
_diffrn_orient_matrix_UB_21      -0.0861415000
_diffrn_orient_matrix_UB_22      -0.0279539000
_diffrn_orient_matrix_UB_23      -0.0044754000
_diffrn_orient_matrix_UB_31      0.0047961000
_diffrn_orient_matrix_UB_32      -0.0739645000
_diffrn_orient_matrix_UB_33      0.0086821000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_av_unetI/netI     0.0781
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.842
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       69
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            12721
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.842
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.360
_diffrn_reflns_theta_min         2.398
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.448
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91644
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.127a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.934
_exptl_crystal_description       plate
_exptl_crystal_F_000             1664
_exptl_crystal_preparation       'Recrystallization of powder from acetone'
_exptl_crystal_recrystallization_method 'Recrystallization from acetone'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.841
_refine_diff_density_min         -0.683
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         6639
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.1038
_refine_ls_R_factor_gt           0.0657
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0334P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1227
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4577
_reflns_number_total             6639
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01086a2.cif
_cod_data_source_block           exp_4540-coll_auto
_cod_depositor_comments
'Adding full bibliography for 7719080--7719084.cif.'
_cod_database_code               7719081
_shelx_shelxl_version_number     2016/6
_chemical_oxdiff_formula         'C13 H14 N3 O10 Ag1'
_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.
;
_shelx_estimated_absorpt_t_max   0.931
_shelx_estimated_absorpt_t_min   0.761
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00Z(H00A,H00F), C011(H01A,H01B), C018(H01F,H01G), C01A(H01K,H01L)
2.b Aromatic/amide H refined with riding coordinates:
 C00O(H00O), C00T(H00T), C00W(H00W), C00X(H00X), C00Y(H00Y), C010(H010),
 C013(H013), C014(H014), C015(H015), C017(H017)
2.c Idealised Me refined as rotating group:
 C016(H01C,H01D,H01E), C019(H01H,H01I,H01J)
2.d Idealised tetrahedral OH refined as rotating group:
 O00B(H00B), O00C(H00C), O00D(H00D), O00E(H00E)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.137
_oxdiff_exptl_absorpt_empirical_full_min 0.892
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Ag01 Ag 0.48022(6) -0.33959(6) 0.40587(2) 0.04832(16) Uani 1 1 d . . . . .
Ag02 Ag 0.23936(6) 0.37257(7) 0.34459(2) 0.05428(17) Uani 1 1 d . . . . .
O003 O 0.3354(5) -0.0837(4) 0.40570(7) 0.0408(10) Uani 1 1 d . . . . .
O004 O 0.4315(5) -0.0813(5) 0.44702(7) 0.0445(10) Uani 1 1 d . . . . .
N005 N 0.6479(5) -0.5559(5) 0.42113(8) 0.0321(10) Uani 1 1 d . . . . .
O006 O 0.4912(5) 0.4795(6) 0.31466(8) 0.0518(11) Uani 1 1 d . . . . .
O007 O 0.4995(5) 0.5127(5) 0.35783(7) 0.0478(10) Uani 1 1 d . . . . .
N008 N -0.1630(6) 0.0970(5) 0.29786(8) 0.0312(10) Uani 1 1 d . . . . .
N009 N 0.0187(6) 0.2177(5) 0.32776(8) 0.0324(10) Uani 1 1 d . . . . .
N00A N 0.7873(5) -0.7270(5) 0.45051(8) 0.0284(10) Uani 1 1 d . . . . .
O00B O 0.1678(6) 0.1783(5) 0.38651(8) 0.0572(12) Uani 1 1 d . . . . .
H00B H 0.207209 0.076223 0.387338 0.086 Uiso 1 1 calc R U . . .
O00C O 0.6239(6) -0.7935(6) 0.50274(8) 0.0580(12) Uani 1 1 d . . . . .
H00C H 0.606941 -0.824290 0.517894 0.087 Uiso 1 1 calc R U . . .
O00D O 0.7378(7) 0.5712(7) 0.28756(7) 0.0637(13) Uani 1 1 d . . . . .
H00D H 0.639895 0.532447 0.291527 0.096 Uiso 1 1 calc R U . . .
O00E O -0.2322(7) 0.3111(6) 0.24934(8) 0.0683(14) Uani 1 1 d . . . . .
H00E H -0.242647 0.391812 0.260059 0.102 Uiso 1 1 calc R U . . .
O00F O -0.4774(6) 0.0474(7) 0.34804(9) 0.0740(15) Uani 1 1 d . . . . .
C00G C 0.3550(7) -0.0094(7) 0.42817(10) 0.0303(12) Uani 1 1 d . . . . .
O00H O 0.9101(6) -1.0759(5) 0.44089(10) 0.0691(14) Uani 1 1 d . . . . .
O00I O 0.7876(7) -1.0664(6) 0.40224(10) 0.0757(15) Uani 1 1 d . . . . .
C00J C 0.2838(6) 0.1754(6) 0.43047(10) 0.0282(11) Uani 1 1 d . . . . .
N00K N -0.4226(6) 0.0334(7) 0.32565(11) 0.0474(13) Uani 1 1 d . . . . .
N00L N 0.8233(7) -1.0002(6) 0.42341(11) 0.0471(13) Uani 1 1 d . . . . .
O00M O -0.5059(6) -0.0333(7) 0.30747(10) 0.0751(15) Uani 1 1 d . . . . .
C00N C -0.2452(7) 0.0959(6) 0.32153(10) 0.0314(12) Uani 1 1 d . . . . .
C00O C 0.8490(7) 0.6569(7) 0.35599(11) 0.0382(13) Uani 1 1 d . . . . .
H00O H 0.799386 0.645190 0.372410 0.046 Uiso 1 1 calc R U . . .
C00P C 0.7659(7) -0.8235(7) 0.42747(11) 0.0349(13) Uani 1 1 d . . . . .
C00Q C 0.7146(7) -0.5670(6) 0.44593(10) 0.0283(11) Uani 1 1 d . . . . .
C00R C 0.5681(7) 0.5281(7) 0.33609(11) 0.0354(13) Uani 1 1 d . . . . .
C00S C 0.7531(7) 0.6048(6) 0.33391(10) 0.0292(11) Uani 1 1 d . . . . .
C00T C -0.1332(7) 0.1689(7) 0.33960(10) 0.0345(12) Uani 1 1 d . . . . .
H00T H -0.156202 0.183610 0.357294 0.041 Uiso 1 1 calc R U . . .
C00U C -0.0015(7) 0.1724(7) 0.30266(10) 0.0331(12) Uani 1 1 d . . . . .
C00V C 0.1968(7) 0.2608(7) 0.40976(10) 0.0330(12) Uani 1 1 d . . . . .
C00W C 0.6782(7) -0.7163(7) 0.41024(10) 0.0345(13) Uani 1 1 d . . . . .
H00W H 0.643436 -0.748593 0.393228 0.041 Uiso 1 1 calc R U . . .
C00X C 0.3103(7) 0.2689(7) 0.45420(11) 0.0366(13) Uani 1 1 d . . . . .
H00X H 0.368574 0.214051 0.468403 0.044 Uiso 1 1 calc R U . . .
C00Y C 1.0188(8) 0.7265(7) 0.35391(13) 0.0465(16) Uani 1 1 d . . . . .
H00Y H 1.081721 0.764665 0.368881 0.056 Uiso 1 1 calc R U . . .
C00Z C -0.2261(8) 0.0287(8) 0.27193(10) 0.0458(15) Uani 1 1 d . . . . .
H00A H -0.297683 -0.077536 0.274453 0.055 Uiso 1 1 calc R U . . .
H00F H -0.123869 -0.004867 0.261807 0.055 Uiso 1 1 calc R U . . .
C010 C 1.0956(8) 0.7396(7) 0.32955(14) 0.0520(17) Uani 1 1 d . . . . .
H010 H 1.210550 0.784985 0.328266 0.062 Uiso 1 1 calc R U . . .
C011 C 0.8748(7) -0.7830(8) 0.47528(10) 0.0434(15) Uani 1 1 d . . . . .
H01A H 0.913080 -0.677234 0.484890 0.052 Uiso 1 1 calc R U . . .
H01B H 0.980834 -0.851099 0.471330 0.052 Uiso 1 1 calc R U . . .
C012 C 0.8304(8) 0.6200(7) 0.30948(11) 0.0400(14) Uani 1 1 d . . . . .
C013 C 0.1336(7) 0.4355(8) 0.41240(12) 0.0428(14) Uani 1 1 d . . . . .
H013 H 0.073060 0.491992 0.398540 0.051 Uiso 1 1 calc R U . . .
C014 C 0.1628(8) 0.5210(7) 0.43570(13) 0.0484(16) Uani 1 1 d . . . . .
H014 H 0.121687 0.637468 0.437515 0.058 Uiso 1 1 calc R U . . .
C015 C 1.0024(8) 0.6859(7) 0.30738(12) 0.0474(15) Uani 1 1 d . . . . .
H015 H 1.054045 0.693531 0.291061 0.057 Uiso 1 1 calc R U . . .
C016 C 0.7096(8) -0.4219(7) 0.46534(10) 0.0416(14) Uani 1 1 d . . . . .
H01C H 0.827639 -0.374465 0.468199 0.062 Uiso 1 1 calc R U . . .
H01D H 0.666475 -0.467457 0.481573 0.062 Uiso 1 1 calc R U . . .
H01E H 0.631540 -0.328968 0.458928 0.062 Uiso 1 1 calc R U . . .
C017 C 0.2496(8) 0.4424(8) 0.45635(12) 0.0485(16) Uani 1 1 d . . . . .
H017 H 0.268301 0.505099 0.471941 0.058 Uiso 1 1 calc R U . . .
C018 C 0.7594(8) -0.8943(8) 0.49268(12) 0.0466(15) Uani 1 1 d . . . . .
H01F H 0.708761 -0.993094 0.482644 0.056 Uiso 1 1 calc R U . . .
H01G H 0.832167 -0.943539 0.506988 0.056 Uiso 1 1 calc R U . . .
C019 C 0.1386(8) 0.1969(8) 0.28282(11) 0.0504(16) Uani 1 1 d . . . . .
H01H H 0.201432 0.086501 0.280570 0.076 Uiso 1 1 calc R U . . .
H01I H 0.220958 0.287639 0.288739 0.076 Uiso 1 1 calc R U . . .
H01J H 0.083618 0.232477 0.266392 0.076 Uiso 1 1 calc R U . . .
C01A C -0.3355(9) 0.1647(9) 0.25671(12) 0.0584(18) Uani 1 1 d . . . . .
H01K H -0.387647 0.108751 0.241120 0.070 Uiso 1 1 calc R U . . .
H01L H -0.432249 0.205926 0.267392 0.070 Uiso 1 1 calc R U . . .
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'
O O 0.0106 0.0060 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N005 Ag01 O003 157.98(14) . . ?
O007 Ag02 O006 53.48(12) . . ?
N009 Ag02 O006 119.43(14) . . ?
N009 Ag02 O007 171.06(16) . . ?
C00G O003 Ag01 109.4(3) . . ?
C00Q N005 Ag01 125.0(3) . . ?
C00W N005 Ag01 128.2(3) . . ?
C00W N005 C00Q 105.7(4) . . ?
C00R O006 Ag02 84.3(3) . . ?
C00R O007 Ag02 98.6(3) . . ?
C00N N008 C00Z 130.0(5) . . ?
C00U N008 C00N 105.5(4) . . ?
C00U N008 C00Z 124.5(5) . . ?
C00T N009 Ag02 127.4(3) . . ?
C00U N009 Ag02 125.4(4) . . ?
C00U N009 C00T 106.7(4) . . ?
C00P N00A C011 128.3(4) . . ?
C00Q N00A C00P 106.5(4) . . ?
C00Q N00A C011 125.3(4) . . ?
C00V O00B H00B 109.5 . . ?
C018 O00C H00C 109.5 . . ?
C012 O00D H00D 109.5 . . ?
C01A O00E H00E 109.5 . . ?
O003 C00G C00J 116.3(4) . . ?
O004 C00G O003 123.3(5) . . ?
O004 C00G C00J 120.4(5) . . ?
C00V C00J C00G 122.1(5) . . ?
C00V C00J C00X 118.6(5) . . ?
C00X C00J C00G 119.2(5) . . ?
O00F N00K C00N 116.5(5) . . ?
O00M N00K O00F 124.6(5) . . ?
O00M N00K C00N 118.9(5) . . ?
O00H N00L C00P 119.0(5) . . ?
O00I N00L O00H 123.8(5) . . ?
O00I N00L C00P 117.1(6) . . ?
N008 C00N N00K 125.1(5) . . ?
C00T C00N N008 108.2(5) . . ?
C00T C00N N00K 126.6(5) . . ?
C00S C00O H00O 119.9 . . ?
C00S C00O C00Y 120.3(5) . . ?
C00Y C00O H00O 119.9 . . ?
N00A C00P N00L 125.9(5) . . ?
C00W C00P N00A 106.5(4) . . ?
C00W C00P N00L 127.6(5) . . ?
N005 C00Q C016 124.7(4) . . ?
N00A C00Q N005 111.0(4) . . ?
N00A C00Q C016 124.3(5) . . ?
O006 C00R C00S 116.0(5) . . ?
O007 C00R O006 123.5(5) . . ?
O007 C00R C00S 120.5(5) . . ?
C00O C00S C00R 120.5(5) . . ?
C00O C00S C012 119.2(5) . . ?
C012 C00S C00R 120.3(5) . . ?
N009 C00T H00T 125.7 . . ?
C00N C00T N009 108.7(5) . . ?
C00N C00T H00T 125.7 . . ?
N008 C00U C019 125.0(5) . . ?
N009 C00U N008 110.9(4) . . ?
N009 C00U C019 124.1(5) . . ?
O00B C00V C00J 121.3(5) . . ?
O00B C00V C013 117.8(5) . . ?
C00J C00V C013 120.8(5) . . ?
N005 C00W C00P 110.4(5) . . ?
N005 C00W H00W 124.8 . . ?
C00P C00W H00W 124.8 . . ?
C00J C00X H00X 120.1 . . ?
C017 C00X C00J 119.8(5) . . ?
C017 C00X H00X 120.1 . . ?
C00O C00Y H00Y 119.9 . . ?
C00O C00Y C010 120.2(5) . . ?
C010 C00Y H00Y 119.9 . . ?
N008 C00Z H00A 109.1 . . ?
N008 C00Z H00F 109.1 . . ?
N008 C00Z C01A 112.4(5) . . ?
H00A C00Z H00F 107.9 . . ?
C01A C00Z H00A 109.1 . . ?
C01A C00Z H00F 109.1 . . ?
C00Y C010 H010 119.9 . . ?
C015 C010 C00Y 120.1(6) . . ?
C015 C010 H010 119.9 . . ?
N00A C011 H01A 108.6 . . ?
N00A C011 H01B 108.6 . . ?
N00A C011 C018 114.5(4) . . ?
H01A C011 H01B 107.6 . . ?
C018 C011 H01A 108.6 . . ?
C018 C011 H01B 108.6 . . ?
O00D C012 C00S 120.1(5) . . ?
O00D C012 C015 119.3(5) . . ?
C015 C012 C00S 120.7(5) . . ?
C00V C013 H013 120.7 . . ?
C014 C013 C00V 118.5(5) . . ?
C014 C013 H013 120.7 . . ?
C013 C014 H014 118.8 . . ?
C017 C014 C013 122.3(5) . . ?
C017 C014 H014 118.8 . . ?
C010 C015 C012 119.5(6) . . ?
C010 C015 H015 120.3 . . ?
C012 C015 H015 120.3 . . ?
C00Q C016 H01C 109.5 . . ?
C00Q C016 H01D 109.5 . . ?
C00Q C016 H01E 109.5 . . ?
H01C C016 H01D 109.5 . . ?
H01C C016 H01E 109.5 . . ?
H01D C016 H01E 109.5 . . ?
C00X C017 H017 120.1 . . ?
C014 C017 C00X 119.9(6) . . ?
C014 C017 H017 120.1 . . ?
O00C C018 C011 111.0(5) . . ?
O00C C018 H01F 109.4 . . ?
O00C C018 H01G 109.4 . . ?
C011 C018 H01F 109.4 . . ?
C011 C018 H01G 109.4 . . ?
H01F C018 H01G 108.0 . . ?
C00U C019 H01H 109.5 . . ?
C00U C019 H01I 109.5 . . ?
C00U C019 H01J 109.5 . . ?
H01H C019 H01I 109.5 . . ?
H01H C019 H01J 109.5 . . ?
H01I C019 H01J 109.5 . . ?
O00E C01A C00Z 111.7(5) . . ?
O00E C01A H01K 109.3 . . ?
O00E C01A H01L 109.3 . . ?
C00Z C01A H01K 109.3 . . ?
C00Z C01A H01L 109.3 . . ?
H01K C01A H01L 107.9 . . ?
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
Ag01 O003 2.201(3) . ?
Ag01 N005 2.179(4) . ?
Ag02 O006 2.589(4) . ?
Ag02 O007 2.298(4) . ?
Ag02 N009 2.175(4) . ?
O003 C00G 1.278(6) . ?
O004 C00G 1.228(6) . ?
N005 C00Q 1.348(6) . ?
N005 C00W 1.345(6) . ?
O006 C00R 1.273(6) . ?
O007 C00R 1.241(6) . ?
N008 C00N 1.372(6) . ?
N008 C00U 1.351(6) . ?
N008 C00Z 1.482(6) . ?
N009 C00T 1.354(6) . ?
N009 C00U 1.328(6) . ?
N00A C00P 1.384(6) . ?
N00A C00Q 1.333(6) . ?
N00A C011 1.466(6) . ?
O00B H00B 0.8200 . ?
O00B C00V 1.348(6) . ?
O00C H00C 0.8200 . ?
O00C C018 1.377(6) . ?
O00D H00D 0.8200 . ?
O00D C012 1.349(6) . ?
O00E H00E 0.8200 . ?
O00E C01A 1.400(7) . ?
O00F N00K 1.229(6) . ?
C00G C00J 1.489(7) . ?
O00H N00L 1.226(6) . ?
O00I N00L 1.211(6) . ?
C00J C00V 1.381(7) . ?
C00J C00X 1.406(7) . ?
N00K O00M 1.210(6) . ?
N00K C00N 1.430(7) . ?
N00L C00P 1.407(6) . ?
C00N C00T 1.344(7) . ?
C00O H00O 0.9300 . ?
C00O C00S 1.374(7) . ?
C00O C00Y 1.382(7) . ?
C00P C00W 1.346(7) . ?
C00Q C016 1.471(7) . ?
C00R C00S 1.508(7) . ?
C00S C012 1.394(7) . ?
C00T H00T 0.9300 . ?
C00U C019 1.491(7) . ?
C00V C013 1.398(7) . ?
C00W H00W 0.9300 . ?
C00X H00X 0.9300 . ?
C00X C017 1.381(7) . ?
C00Y H00Y 0.9300 . ?
C00Y C010 1.388(8) . ?
C00Z H00A 0.9700 . ?
C00Z H00F 0.9700 . ?
C00Z C01A 1.507(8) . ?
C010 H010 0.9300 . ?
C010 C015 1.371(8) . ?
C011 H01A 0.9700 . ?
C011 H01B 0.9700 . ?
C011 C018 1.509(7) . ?
C012 C015 1.387(8) . ?
C013 H013 0.9300 . ?
C013 C014 1.361(8) . ?
C014 H014 0.9300 . ?
C014 C017 1.355(8) . ?
C015 H015 0.9300 . ?
C016 H01C 0.9600 . ?
C016 H01D 0.9600 . ?
C016 H01E 0.9600 . ?
C017 H017 0.9300 . ?
C018 H01F 0.9700 . ?
C018 H01G 0.9700 . ?
C019 H01H 0.9600 . ?
C019 H01I 0.9600 . ?
C019 H01J 0.9600 . ?
C01A H01K 0.9700 . ?
C01A H01L 0.9700 . ?
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
Ag01 O003 C00G O004 -5.4(6) . . . . ?
Ag01 O003 C00G C00J 172.8(3) . . . . ?
Ag01 N005 C00Q N00A 170.0(3) . . . . ?
Ag01 N005 C00Q C016 -10.5(7) . . . . ?
Ag01 N005 C00W C00P -170.1(3) . . . . ?
Ag02 O006 C00R O007 -2.5(5) . . . . ?
Ag02 O006 C00R C00S 176.6(4) . . . . ?
Ag02 O007 C00R O006 2.8(6) . . . . ?
Ag02 O007 C00R C00S -176.2(4) . . . . ?
Ag02 N009 C00T C00N 171.7(3) . . . . ?
Ag02 N009 C00U N008 -172.0(3) . . . . ?
Ag02 N009 C00U C019 9.9(7) . . . . ?
O003 C00G C00J C00V 1.7(7) . . . . ?
O003 C00G C00J C00X -176.2(5) . . . . ?
O004 C00G C00J C00V -179.9(5) . . . . ?
O004 C00G C00J C00X 2.1(7) . . . . ?
O006 C00R C00S C00O -178.3(5) . . . . ?
O006 C00R C00S C012 0.2(7) . . . . ?
O007 C00R C00S C00O 0.7(8) . . . . ?
O007 C00R C00S C012 179.3(5) . . . . ?
N008 C00N C00T N009 0.4(6) . . . . ?
N008 C00Z C01A O00E 67.0(7) . . . . ?
N00A C00P C00W N005 1.6(6) . . . . ?
N00A C011 C018 O00C -69.2(7) . . . . ?
O00B C00V C013 C014 -179.6(5) . . . . ?
O00D C012 C015 C010 178.5(5) . . . . ?
O00F N00K C00N N008 -177.7(5) . . . . ?
O00F N00K C00N C00T -0.3(8) . . . . ?
C00G C00J C00V O00B 1.8(8) . . . . ?
C00G C00J C00V C013 -179.1(5) . . . . ?
C00G C00J C00X C017 178.1(5) . . . . ?
O00H N00L C00P N00A -4.8(8) . . . . ?
O00H N00L C00P C00W 176.3(5) . . . . ?
O00I N00L C00P N00A 177.4(5) . . . . ?
O00I N00L C00P C00W -1.5(8) . . . . ?
C00J C00V C013 C014 1.2(8) . . . . ?
C00J C00X C017 C014 0.8(8) . . . . ?
N00K C00N C00T N009 -177.4(5) . . . . ?
N00L C00P C00W N005 -179.3(5) . . . . ?
O00M N00K C00N N008 4.3(8) . . . . ?
O00M N00K C00N C00T -178.3(5) . . . . ?
C00N N008 C00U N009 -0.2(6) . . . . ?
C00N N008 C00U C019 177.9(5) . . . . ?
C00N N008 C00Z C01A 86.8(7) . . . . ?
C00O C00S C012 O00D -179.4(5) . . . . ?
C00O C00S C012 C015 0.3(8) . . . . ?
C00O C00Y C010 C015 0.9(9) . . . . ?
C00P N00A C00Q N005 -0.1(6) . . . . ?
C00P N00A C00Q C016 -179.6(5) . . . . ?
C00P N00A C011 C018 -82.0(7) . . . . ?
C00Q N005 C00W C00P -1.7(6) . . . . ?
C00Q N00A C00P N00L 179.9(5) . . . . ?
C00Q N00A C00P C00W -0.9(6) . . . . ?
C00Q N00A C011 C018 99.4(6) . . . . ?
C00R C00S C012 O00D 2.1(8) . . . . ?
C00R C00S C012 C015 -178.2(5) . . . . ?
C00S C00O C00Y C010 -1.8(8) . . . . ?
C00S C012 C015 C010 -1.2(8) . . . . ?
C00T N009 C00U N008 0.5(6) . . . . ?
C00T N009 C00U C019 -177.7(5) . . . . ?
C00U N008 C00N N00K 177.7(5) . . . . ?
C00U N008 C00N C00T -0.1(5) . . . . ?
C00U N008 C00Z C01A -95.0(6) . . . . ?
C00U N009 C00T C00N -0.5(6) . . . . ?
C00V C00J C00X C017 0.0(7) . . . . ?
C00V C013 C014 C017 -0.4(9) . . . . ?
C00W N005 C00Q N00A 1.1(6) . . . . ?
C00W N005 C00Q C016 -179.5(5) . . . . ?
C00X C00J C00V O00B 179.8(5) . . . . ?
C00X C00J C00V C013 -1.1(7) . . . . ?
C00Y C00O C00S C00R 179.7(5) . . . . ?
C00Y C00O C00S C012 1.2(8) . . . . ?
C00Y C010 C015 C012 0.6(9) . . . . ?
C00Z N008 C00N N00K -3.8(8) . . . . ?
C00Z N008 C00N C00T 178.4(5) . . . . ?
C00Z N008 C00U N009 -178.9(4) . . . . ?
C00Z N008 C00U C019 -0.7(8) . . . . ?
C011 N00A C00P N00L 1.1(8) . . . . ?
C011 N00A C00P C00W -179.8(5) . . . . ?
C011 N00A C00Q N005 178.8(4) . . . . ?
C011 N00A C00Q C016 -0.7(8) . . . . ?
C013 C014 C017 C00X -0.6(9) . . . . ?
