# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_AgMethionine
_database_code_depnum_ccdc_archive 'CCDC 1547635'
_audit_update_record             
;
2017-05-03 deposited with the CCDC.
2017-05-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'poly(disilver-dimethionine-dinitrate) dihydrate'
_chemical_name_common            ?
_chemical_formula_moiety         'C20 H44 Ag2 N4 O8 S4, 2(N O3), 2(H2 O)'
_chemical_formula_sum            'C20 H48 Ag2 N6 O16 S4'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: deuterium oxide'
_chemical_melting_point          ?

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_diffrn_ambient_temperature      200(2)
_chemical_formula_weight         972.62

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'
Ag Ag -0.8971 1.1015 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'
_chemical_absolute_configuration syn

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

_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.
;

_cell_length_a                   5.0810(3)
_cell_length_b                   24.7309(12)
_cell_length_c                   14.5097(10)
_cell_angle_alpha                90
_cell_angle_beta                 99.007(5)
_cell_angle_gamma                90
_cell_volume                     1800.77(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    16289
_cell_measurement_theta_min      1.64
_cell_measurement_theta_max      25.58
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_F_000             992
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    1.393
_shelx_estimated_absorpt_T_min   0.554
_shelx_estimated_absorpt_T_max   0.959
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.7492
_exptl_absorpt_correction_T_max  0.9681
_exptl_absorpt_process_details   
;
Stoe & Cie (2002). X-SHAPE. Stoe & Cie, Darmstadt, Germany
;
_exptl_special_details           
;
 ?
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Stoe IPDS2'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6406
_diffrn_reflns_av_unetI/netI     0.0814
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.421
_diffrn_reflns_theta_max         25.189
_diffrn_reflns_theta_full        25.189
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             6406
_reflns_number_gt                4756
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.944
_reflns_Friedel_fraction_max     0.986
_reflns_Friedel_fraction_full    0.986

_reflns_special_details          
;
 _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       'X-Area (Stoe & Cie, 2009)'
_computing_cell_refinement       'X-Area (Stoe & Cie, 2009)'
_computing_data_reduction        'X-RED32(Stoe & Cie, 2009)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          'Refined as a 2-component perfect twin., Twin'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1193P)²+20.4046P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1627 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.02(3)
_refine_ls_number_reflns         6406
_refine_ls_number_parameters     423
_refine_ls_number_restraints     59
_refine_ls_R_factor_all          0.1164
_refine_ls_R_factor_gt           0.0864
_refine_ls_wR_factor_ref         0.2525
_refine_ls_wR_factor_gt          0.2272
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.016
_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
C1 C 0.849(4) 0.5296(10) 0.9057(17) 0.045(5) Uani 1 1 d . . . . .
C2 C 0.753(4) 0.4751(9) 0.9437(16) 0.041(5) Uani 1 1 d . . . . .
H2 H 0.8994 0.4606 0.9914 0.049 Uiso 1 1 calc R U . . .
C3 C 0.691(4) 0.4327(9) 0.8637(16) 0.042(2) Uani 1 1 d . . . . .
H3A H 0.5877 0.4026 0.8852 0.050 Uiso 1 1 calc R U . . .
H3B H 0.5798 0.4498 0.8095 0.050 Uiso 1 1 calc R U . . .
C4 C 0.929(5) 0.4111(13) 0.8343(19) 0.061(7) Uani 1 1 d . . . . .
H4A H 1.0553 0.4005 0.8905 0.073 Uiso 1 1 calc R U . . .
H4B H 1.0146 0.4401 0.8024 0.073 Uiso 1 1 calc R U . . .
C5 C 0.716(9) 0.3037(15) 0.824(3) 0.094(12) Uani 1 1 d . . . . .
H5A H 0.8250 0.2997 0.8860 0.141 Uiso 1 1 calc R U . . .
H5B H 0.6999 0.2686 0.7926 0.141 Uiso 1 1 calc R U . . .
H5C H 0.5382 0.3167 0.8318 0.141 Uiso 1 1 calc R U . . .
C6 C 0.123(4) 0.4726(10) 0.5944(16) 0.041(5) Uani 1 1 d . . . . .
C7 C 0.012(4) 0.5301(9) 0.5672(16) 0.039(5) Uani 1 1 d . U . . .
H7 H 0.1207 0.5457 0.5218 0.047 Uiso 1 1 calc R U . . .
C8 C 0.010(4) 0.5700(10) 0.6440(16) 0.042(2) Uani 1 1 d . U . . .
H8A H -0.0942 0.5551 0.6905 0.050 Uiso 1 1 calc R U . . .
H8B H -0.0793 0.6036 0.6183 0.050 Uiso 1 1 calc R U . . .
C9 C 0.298(4) 0.5837(9) 0.6933(16) 0.040(5) Uani 1 1 d . U . . .
H9A H 0.4151 0.5880 0.6452 0.048 Uiso 1 1 calc R U . . .
H9B H 0.3669 0.5530 0.7338 0.048 Uiso 1 1 calc R U . . .
C10 C 0.240(10) 0.6935(13) 0.674(3) 0.091(12) Uani 1 1 d . . . . .
H10A H 0.4042 0.7119 0.6639 0.136 Uiso 1 1 calc R U . . .
H10B H 0.1154 0.7201 0.6927 0.136 Uiso 1 1 calc R U . . .
H10C H 0.1591 0.6756 0.6164 0.136 Uiso 1 1 calc R U . . .
C11 C 1.016(4) 0.5416(9) 1.1585(15) 0.036(5) Uani 1 1 d . . . . .
C12 C 1.138(4) 0.5975(8) 1.1963(15) 0.032(4) Uani 1 1 d . U . . .
H12 H 1.0240 0.6122 1.2409 0.038 Uiso 1 1 calc R U . . .
C13 C 1.154(4) 0.6408(11) 1.1207(16) 0.042(2) Uani 1 1 d . U . . .
H13A H 1.2693 0.6709 1.1481 0.050 Uiso 1 1 calc R U . . .
H13B H 1.2368 0.6248 1.0697 0.050 Uiso 1 1 calc R U . . .
C14 C 0.893(4) 0.6620(10) 1.0827(16) 0.044(5) Uani 1 1 d . U . . .
H14A H 0.8183 0.6822 1.1315 0.053 Uiso 1 1 calc R U . . .
H14B H 0.7703 0.6318 1.0614 0.053 Uiso 1 1 calc R U . . .
C15 C 0.589(5) 0.7323(12) 0.9575(19) 0.055(7) Uani 1 1 d . . . . .
H15A H 0.4654 0.7022 0.9404 0.083 Uiso 1 1 calc R U . . .
H15B H 0.5769 0.7578 0.9053 0.083 Uiso 1 1 calc R U . . .
H15C H 0.5411 0.7509 1.0123 0.083 Uiso 1 1 calc R U . . .
C16 C 0.118(4) 0.4694(10) 0.3488(15) 0.041(5) Uani 1 1 d . . . . .
C17 C 0.217(4) 0.4176(9) 0.3080(18) 0.043(5) Uani 1 1 d . . . . .
H17 H 0.0642 0.4004 0.2663 0.052 Uiso 1 1 calc R U . . .
C18 C 0.323(4) 0.3773(10) 0.3870(16) 0.042(2) Uani 1 1 d . . . . .
H18A H 0.4207 0.3478 0.3610 0.050 Uiso 1 1 calc R U . . .
H18B H 0.4505 0.3963 0.4350 0.050 Uiso 1 1 calc R U . . .
C19 C 0.103(4) 0.3539(9) 0.4315(15) 0.039(5) Uani 1 1 d . . . . .
H19A H -0.0041 0.3296 0.3860 0.047 Uiso 1 1 calc R U . . .
H19B H -0.0140 0.3836 0.4459 0.047 Uiso 1 1 calc R U . . .
C20 C 0.434(6) 0.2667(11) 0.503(2) 0.060(7) Uani 1 1 d . . . . .
H20A H 0.3584 0.2513 0.4425 0.090 Uiso 1 1 calc R U . . .
H20B H 0.4599 0.2380 0.5502 0.090 Uiso 1 1 calc R U . . .
H20C H 0.6064 0.2835 0.4985 0.090 Uiso 1 1 calc R U . . .
Ag1 Ag 0.4999(4) 0.38136(7) 0.63749(14) 0.0565(6) Uani 1 1 d . . . . .
Ag2 Ag 0.9372(5) 0.63887(8) 0.85407(16) 0.0690(7) Uani 1 1 d . . . . .
N1 N 0.516(3) 0.4852(8) 0.9902(13) 0.039(4) Uani 1 1 d . . . . .
H1A H 0.5486 0.5142 1.0290 0.059 Uiso 1 1 calc R U . . .
H1B H 0.4841 0.4556 1.0239 0.059 Uiso 1 1 calc R U . . .
H1C H 0.3719 0.4921 0.9463 0.059 Uiso 1 1 calc R U . . .
N2 N -0.264(3) 0.5237(8) 0.5183(12) 0.037(4) Uani 1 1 d . . . . .
H2A H -0.3602 0.5044 0.5548 0.056 Uiso 1 1 calc R U . . .
H2B H -0.2626 0.5059 0.4635 0.056 Uiso 1 1 calc R U . . .
H2C H -0.3394 0.5569 0.5067 0.056 Uiso 1 1 calc R U . . .
N3 N 1.409(3) 0.5877(7) 1.2493(15) 0.046(5) Uani 1 1 d . . . . .
H3C H 1.5023 0.5660 1.2152 0.068 Uiso 1 1 calc R U . . .
H3D H 1.3958 0.5714 1.3045 0.068 Uiso 1 1 calc R U . . .
H3E H 1.4963 0.6198 1.2604 0.068 Uiso 1 1 calc R U . . .
N4 N 0.435(3) 0.4294(8) 0.2518(13) 0.042(4) Uani 1 1 d . . . . .
H4C H 0.3651 0.4470 0.1985 0.063 Uiso 1 1 calc R U . . .
H4D H 0.5102 0.3978 0.2372 0.063 Uiso 1 1 calc R U . . .
H4E H 0.5607 0.4506 0.2859 0.063 Uiso 1 1 calc R U . . .
N5 N -0.062(4) 0.6869(9) 0.3500(15) 0.049(4) Uani 1 1 d . U . . .
N6 N -0.121(4) 0.3207(9) 0.1702(17) 0.051(5) Uani 1 1 d . . . . .
O1 O 0.699(3) 0.5682(7) 0.9090(14) 0.054(4) Uani 1 1 d . . . . .
O2 O 1.068(3) 0.5274(7) 0.8790(13) 0.051(4) Uani 1 1 d . . . . .
O3 O -0.035(3) 0.4374(7) 0.6004(14) 0.054(4) Uani 1 1 d . . . . .
O4 O 0.375(3) 0.4721(6) 0.6172(12) 0.044(4) Uani 1 1 d . . . . .
O5 O 1.167(3) 0.5100(6) 1.1351(11) 0.040(4) Uani 1 1 d . . . . .
O6 O 0.767(3) 0.5424(7) 1.1471(11) 0.048(4) Uani 1 1 d . . . . .
O7 O 0.290(3) 0.5072(7) 0.3675(12) 0.047(4) Uani 1 1 d . . . . .
O8 O -0.116(3) 0.4707(7) 0.3597(11) 0.045(4) Uani 1 1 d . . . . .
O9 O -0.021(4) 0.6643(9) 0.4299(17) 0.077(6) Uani 1 1 d . U . . .
O10 O 0.135(4) 0.7035(9) 0.3219(15) 0.068(5) Uani 1 1 d . U . . .
O11 O -0.283(4) 0.6852(9) 0.3062(19) 0.078(6) Uani 1 1 d . U . . .
O12 O -0.130(4) 0.3439(10) 0.0932(17) 0.076(6) Uani 1 1 d . . . . .
O13 O -0.307(3) 0.3257(7) 0.2142(13) 0.050(4) Uani 1 1 d . . . . .
O14 O 0.072(4) 0.2893(9) 0.1997(15) 0.073(6) Uani 1 1 d . . . . .
O15 O -0.493(3) 0.6257(7) 0.4826(15) 0.067(5) Uani 1 1 d D . . . .
H15D H -0.6324 0.6449 0.4601 0.100 Uiso 1 1 d D U . . .
H15E H -0.3597 0.6442 0.4677 0.100 Uiso 1 1 d D U . . .
O16 O 0.347(3) 0.3814(7) 0.0433(12) 0.054(4) Uani 1 1 d D . . . .
H16A H 0.2309 0.3608 0.0643 0.082 Uiso 1 1 d D U . . .
H16B H 0.4969 0.3642 0.0576 0.082 Uiso 1 1 d D U . . .
S1 S 0.8725(13) 0.3521(3) 0.7554(5) 0.0553(16) Uani 1 1 d . . . . .
S2 S 0.3167(12) 0.6448(3) 0.7634(4) 0.0497(14) Uani 1 1 d . . . . .
S3 S 0.9237(10) 0.7068(2) 0.9844(4) 0.0415(12) Uani 1 1 d . . . . .
S4 S 0.2123(11) 0.3166(3) 0.5363(4) 0.0465(13) Uani 1 1 d . . . . .


_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
C1 O1 1.23(3) . ?
C1 O2 1.24(3) . ?
C1 C2 1.56(3) . ?
C2 N1 1.49(3) . ?
C2 C3 1.56(3) . ?
C2 H2 1.0000 . ?
C3 C4 1.44(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 S1 1.85(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 S1 1.82(4) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 O3 1.20(3) . ?
C6 O4 1.27(3) . ?
C6 C7 1.56(3) . ?
C7 N2 1.48(3) . ?
C7 C8 1.49(3) . ?
C7 H7 1.0000 . ?
C8 C9 1.56(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 S2 1.82(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 S2 1.77(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 O5 1.18(3) . ?
C11 O6 1.25(3) . ?
C11 C12 1.58(3) . ?
C12 N3 1.49(3) . ?
C12 C13 1.54(3) . ?
C12 H12 1.0000 . ?
C13 C14 1.45(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 S3 1.83(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 S3 1.80(2) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 O8 1.23(3) . ?
C16 O7 1.28(3) . ?
C16 C17 1.53(3) . ?
C17 N4 1.50(3) . ?
C17 C18 1.55(3) . ?
C17 H17 1.0000 . ?
C18 C19 1.49(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 S4 1.79(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 S4 1.79(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
Ag1 O4 2.339(14) . ?
Ag1 S1 2.454(7) . ?
Ag1 S4 2.487(6) . ?
Ag2 O1 2.336(16) . ?
Ag2 S2 2.503(6) 1_655 ?
Ag2 S3 2.538(6) . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 H1C 0.9100 . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
N2 H2C 0.9100 . ?
N3 H3C 0.9100 . ?
N3 H3D 0.9100 . ?
N3 H3E 0.9100 . ?
N4 H4C 0.9100 . ?
N4 H4D 0.9100 . ?
N4 H4E 0.9100 . ?
N5 O11 1.20(3) . ?
N5 O10 1.21(3) . ?
N5 O9 1.27(3) . ?
N6 O13 1.23(3) . ?
N6 O12 1.25(3) . ?
N6 O14 1.27(3) . ?
O15 H15D 0.87 . ?
O15 H15E 0.87 . ?
O16 H16A 0.87 . ?
O16 H16B 0.87 . ?
S2 Ag2 2.503(6) 1_455 ?

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
O1 C1 O2 130(2) . . ?
O1 C1 C2 115(2) . . ?
O2 C1 C2 115(2) . . ?
N1 C2 C3 111.7(17) . . ?
N1 C2 C1 109.4(19) . . ?
C3 C2 C1 110.8(19) . . ?
N1 C2 H2 108.3 . . ?
C3 C2 H2 108.3 . . ?
C1 C2 H2 108.3 . . ?
C4 C3 C2 113(2) . . ?
C4 C3 H3A 109.0 . . ?
C2 C3 H3A 109.0 . . ?
C4 C3 H3B 109.0 . . ?
C2 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
C3 C4 S1 114.7(18) . . ?
C3 C4 H4A 108.6 . . ?
S1 C4 H4A 108.6 . . ?
C3 C4 H4B 108.6 . . ?
S1 C4 H4B 108.6 . . ?
H4A C4 H4B 107.6 . . ?
S1 C5 H5A 109.5 . . ?
S1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
S1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O3 C6 O4 129(2) . . ?
O3 C6 C7 117.7(17) . . ?
O4 C6 C7 113(2) . . ?
N2 C7 C8 108.1(17) . . ?
N2 C7 C6 107.6(17) . . ?
C8 C7 C6 117.4(19) . . ?
N2 C7 H7 107.8 . . ?
C8 C7 H7 107.8 . . ?
C6 C7 H7 107.8 . . ?
C7 C8 C9 111.6(18) . . ?
C7 C8 H8A 109.3 . . ?
C9 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
C9 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C8 C9 S2 113.5(16) . . ?
C8 C9 H9A 108.9 . . ?
S2 C9 H9A 108.9 . . ?
C8 C9 H9B 108.9 . . ?
S2 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
S2 C10 H10A 109.5 . . ?
S2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
S2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O5 C11 O6 131(2) . . ?
O5 C11 C12 116.2(17) . . ?
O6 C11 C12 111.5(19) . . ?
N3 C12 C13 109.2(16) . . ?
N3 C12 C11 108.5(16) . . ?
C13 C12 C11 115.0(18) . . ?
N3 C12 H12 108.0 . . ?
C13 C12 H12 108.0 . . ?
C11 C12 H12 108.0 . . ?
C14 C13 C12 111.7(17) . . ?
C14 C13 H13A 109.3 . . ?
C12 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
C12 C13 H13B 109.3 . . ?
H13A C13 H13B 107.9 . . ?
C13 C14 S3 109.1(15) . . ?
C13 C14 H14A 109.9 . . ?
S3 C14 H14A 109.9 . . ?
C13 C14 H14B 109.9 . . ?
S3 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
S3 C15 H15A 109.5 . . ?
S3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
S3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C16 O7 127(2) . . ?
O8 C16 C17 117.1(19) . . ?
O7 C16 C17 116.2(18) . . ?
N4 C17 C16 111.1(17) . . ?
N4 C17 C18 108.9(17) . . ?
C16 C17 C18 110(2) . . ?
N4 C17 H17 108.8 . . ?
C16 C17 H17 108.8 . . ?
C18 C17 H17 108.8 . . ?
C19 C18 C17 111.7(17) . . ?
C19 C18 H18A 109.3 . . ?
C17 C18 H18A 109.3 . . ?
C19 C18 H18B 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
C18 C19 S4 114.5(15) . . ?
C18 C19 H19A 108.6 . . ?
S4 C19 H19A 108.6 . . ?
C18 C19 H19B 108.6 . . ?
S4 C19 H19B 108.6 . . ?
H19A C19 H19B 107.6 . . ?
S4 C20 H20A 109.5 . . ?
S4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
S4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O4 Ag1 S1 122.4(4) . . ?
O4 Ag1 S4 114.9(4) . . ?
S1 Ag1 S4 122.6(2) . . ?
O1 Ag2 S2 134.9(5) . 1_655 ?
O1 Ag2 S3 99.5(5) . . ?
S2 Ag2 S3 117.8(2) 1_655 . ?
C2 N1 H1A 109.5 . . ?
C2 N1 H1B 109.5 . . ?
H1A N1 H1B 109.5 . . ?
C2 N1 H1C 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
C7 N2 H2A 109.5 . . ?
C7 N2 H2B 109.5 . . ?
H2A N2 H2B 109.5 . . ?
C7 N2 H2C 109.5 . . ?
H2A N2 H2C 109.5 . . ?
H2B N2 H2C 109.5 . . ?
C12 N3 H3C 109.5 . . ?
C12 N3 H3D 109.5 . . ?
H3C N3 H3D 109.5 . . ?
C12 N3 H3E 109.5 . . ?
H3C N3 H3E 109.5 . . ?
H3D N3 H3E 109.5 . . ?
C17 N4 H4C 109.5 . . ?
C17 N4 H4D 109.5 . . ?
H4C N4 H4D 109.5 . . ?
C17 N4 H4E 109.5 . . ?
H4C N4 H4E 109.5 . . ?
H4D N4 H4E 109.5 . . ?
O11 N5 O10 126(3) . . ?
O11 N5 O9 118(2) . . ?
O10 N5 O9 116(2) . . ?
O13 N6 O12 120(2) . . ?
O13 N6 O14 120(2) . . ?
O12 N6 O14 120(2) . . ?
C1 O1 Ag2 102.2(14) . . ?
C6 O4 Ag1 106.6(15) . . ?
H15D O15 H15E 104.0 . . ?
H16A O16 H16B 104.0 . . ?
C5 S1 C4 102.5(16) . . ?
C5 S1 Ag1 102.8(14) . . ?
C4 S1 Ag1 103.1(9) . . ?
C10 S2 C9 99.8(14) . . ?
C10 S2 Ag2 109.1(15) . 1_455 ?
C9 S2 Ag2 105.6(8) . 1_455 ?
C15 S3 C14 100.8(11) . . ?
C15 S3 Ag2 101.9(10) . . ?
C14 S3 Ag2 101.3(8) . . ?
C20 S4 C19 104.5(13) . . ?
C20 S4 Ag1 105.4(10) . . ?
C19 S4 Ag1 104.2(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
O1 C1 C2 N1 -9(3) . . . . ?
O2 C1 C2 N1 169.1(19) . . . . ?
O1 C1 C2 C3 114(2) . . . . ?
O2 C1 C2 C3 -67(3) . . . . ?
N1 C2 C3 C4 -164(2) . . . . ?
C1 C2 C3 C4 74(3) . . . . ?
C2 C3 C4 S1 169.4(16) . . . . ?
O3 C6 C7 N2 -23(3) . . . . ?
O4 C6 C7 N2 164.9(18) . . . . ?
O3 C6 C7 C8 100(2) . . . . ?
O4 C6 C7 C8 -73(2) . . . . ?
N2 C7 C8 C9 -174.3(18) . . . . ?
C6 C7 C8 C9 64(2) . . . . ?
C7 C8 C9 S2 163.5(16) . . . . ?
O5 C11 C12 N3 -36(3) . . . . ?
O6 C11 C12 N3 153.7(18) . . . . ?
O5 C11 C12 C13 87(2) . . . . ?
O6 C11 C12 C13 -84(2) . . . . ?
N3 C12 C13 C14 -165.6(19) . . . . ?
C11 C12 C13 C14 72(3) . . . . ?
C12 C13 C14 S3 -173.3(16) . . . . ?
O8 C16 C17 N4 149(2) . . . . ?
O7 C16 C17 N4 -30(3) . . . . ?
O8 C16 C17 C18 -90(2) . . . . ?
O7 C16 C17 C18 91(2) . . . . ?
N4 C17 C18 C19 -166.7(19) . . . . ?
C16 C17 C18 C19 71(2) . . . . ?
C17 C18 C19 S4 -169.4(16) . . . . ?
O2 C1 O1 Ag2 -1(3) . . . . ?
C2 C1 O1 Ag2 176.9(16) . . . . ?
O3 C6 O4 Ag1 15(3) . . . . ?
C7 C6 O4 Ag1 -173.3(14) . . . . ?
C3 C4 S1 C5 -58(2) . . . . ?
C3 C4 S1 Ag1 48(2) . . . . ?
C8 C9 S2 C10 -68(2) . . . . ?
C8 C9 S2 Ag2 45.0(18) . . . 1_455 ?
C13 C14 S3 C15 -174.7(19) . . . . ?
C13 C14 S3 Ag2 80.7(18) . . . . ?
C18 C19 S4 C20 -55(2) . . . . ?
C18 C19 S4 Ag1 54.9(19) . . . . ?

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
N1 H1A O6 0.91 2.01 2.81(2) 145.1 .
N1 H1B O16 0.91 2.00 2.85(3) 155.8 1_556
N1 H1C O2 0.91 1.90 2.78(2) 161.0 1_455
N2 H2A O4 0.91 1.91 2.81(2) 167.7 1_455
N2 H2B O7 0.91 2.47 2.92(2) 110.7 1_455
N2 H2B O8 0.91 1.98 2.85(2) 158.7 .
N2 H2C O15 0.91 1.88 2.79(3) 179.5 .
N3 H3C O6 0.91 1.88 2.76(2) 160.4 1_655
N3 H3D O7 0.91 1.95 2.76(3) 147.1 1_656
N3 H3E O11 0.91 2.02 2.92(3) 170.1 1_756
N4 H4C O5 0.91 2.00 2.82(3) 149.9 1_454
N4 H4D O13 0.91 2.06 2.97(2) 175.8 1_655
N4 H4E O8 0.91 1.88 2.75(2) 159.7 1_655
O15 H15D O9 0.87 2.01 2.84(3) 157.4 1_455
O15 H15D O10 0.87 2.60 3.37(3) 146.6 1_455
O15 H15E O9 0.87 1.95 2.79(3) 163.0 .
O16 H16A O12 0.87 1.99 2.79(3) 154 .
O16 H16B N6 0.87 2.57 3.38(2) 155 1_655
O16 H16B O12 0.87 1.95 2.80(3) 165.5 1_655
O16 H16B O13 0.87 2.521 3.12(2) 127.5 1_655

_refine_diff_density_max         1.651
_refine_diff_density_min         -1.109
_refine_diff_density_rms         0.192



_chemical_properties_physical    ', Light-sensitive'
