# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_nem022
_database_code_depnum_ccdc_archive 'CCDC 1982914'
loop_
_audit_author_name
_audit_author_address
'Viktor Nemykin'
;University of Manitoba
Canada
;
_audit_update_record             
;
2020-02-10 deposited with the CCDC.	2020-03-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C56 H32 Ag2 N6 O4 S4, C H4 O'
_chemical_formula_sum            'C57 H36 Ag2 N6 O5 S4'
_chemical_formula_weight         1228.90

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      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                   11.2065(8)
_cell_length_b                   14.1626(10)
_cell_length_c                   16.1136(11)
_cell_angle_alpha                69.848(3)
_cell_angle_beta                 85.511(3)
_cell_angle_gamma                87.425(3)
_cell_volume                     2393.1(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9870
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      27.05

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_F_000             1236
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.082
_exptl_crystal_size_mid          0.055
_exptl_crystal_size_min          0.032
_exptl_absorpt_coefficient_mu    1.054
_shelx_estimated_absorpt_T_min   0.919
_shelx_estimated_absorpt_T_max   0.967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6678
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus tube'
_diffrn_radiation_monochromator  'TRIUMPH curved--crystal'
_diffrn_measurement_device_type  'Bruker D8 QUEST ECO CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            65682
_diffrn_reflns_av_unetI/netI     0.0766
_diffrn_reflns_av_R_equivalents  0.1058
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.340
_diffrn_reflns_theta_max         27.590
_diffrn_reflns_theta_full        25.242
_diffrn_reflns.reduction_process narrow--frame
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11041
_reflns_number_gt                7340
_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       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0719P)²+5.7112P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11041
_refine_ls_number_parameters     671
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1032
_refine_ls_R_factor_gt           0.0554
_refine_ls_wR_factor_ref         0.1482
_refine_ls_wR_factor_gt          0.1286
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_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 0.30779(3) 0.23397(3) 0.37886(3) 0.02158(12) Uani 1 1 d . . . . .
Ag2 Ag 0.48017(4) 0.39395(3) 0.30802(3) 0.02339(12) Uani 1 1 d . . . . .
C1 C 0.2618(6) 0.1168(5) 0.8275(4) 0.0303(13) Uani 1 1 d . . . . .
H1 H 0.209245 0.117478 0.876546 0.036 Uiso 1 1 calc R U . A 1
C2 C 0.3771(6) 0.0835(5) 0.8350(4) 0.0386(16) Uani 1 1 d . . . . .
H2 H 0.412812 0.057940 0.890153 0.046 Uiso 1 1 calc R U . B 1
S1A S 0.22170(14) 0.15693(13) 0.72245(11) 0.0307(5) Uani 0.902(8) 1 d . . P C 1
C3A C 0.4408(6) 0.0900(4) 0.7525(3) 0.051(2) Uani 0.902(8) 1 d . . P C 1
H3AA H 0.522636 0.072248 0.744917 0.061 Uiso 0.902(8) 1 calc R U P C 1
C3B C 0.22170(14) 0.15693(13) 0.72245(11) 0.0307(5) Uani 0.098(8) 1 d . . P C 2
H3BA H 0.149993 0.185013 0.695233 0.037 Uiso 0.098(8) 1 calc R U P C 2
S1B S 0.4408(6) 0.0900(4) 0.7525(3) 0.051(2) Uani 0.098(8) 1 d . . P C 2
C4 C 0.3597(5) 0.1277(4) 0.6833(4) 0.0210(11) Uani 1 1 d . . . . .
C5 C 0.3798(5) 0.1447(4) 0.5890(3) 0.0200(11) Uani 1 1 d . . . . .
C6 C 0.4956(5) 0.1113(4) 0.5600(3) 0.0197(11) Uani 1 1 d . . . . .
H6 H 0.547945 0.079467 0.605648 0.024 Uiso 1 1 calc R U . . .
C7 C 0.5387(4) 0.1196(4) 0.4770(3) 0.0168(10) Uani 1 1 d . . . . .
C8 C 0.6594(4) 0.0805(4) 0.4591(3) 0.0183(11) Uani 1 1 d . . . . .
C9 C 0.7470(5) 0.0282(4) 0.5138(4) 0.0223(11) Uani 1 1 d . . . . .
H9 H 0.737404 0.013154 0.576115 0.027 Uiso 1 1 calc R U . . .
C10 C 0.8491(5) -0.0013(4) 0.4745(4) 0.0273(13) Uani 1 1 d . . . . .
H10 H 0.909693 -0.039133 0.510721 0.033 Uiso 1 1 calc R U . . .
C11 C 0.8649(5) 0.0231(4) 0.3829(4) 0.0272(13) Uani 1 1 d . . . . .
H11 H 0.937034 0.003487 0.357695 0.033 Uiso 1 1 calc R U . . .
C12 C 0.7772(5) 0.0755(4) 0.3283(4) 0.0231(12) Uani 1 1 d . . . . .
H12 H 0.787744 0.092274 0.265816 0.028 Uiso 1 1 calc R U . . .
C13 C 0.6735(5) 0.1028(4) 0.3679(4) 0.0207(11) Uani 1 1 d . . . . .
C14 C 0.5615(5) 0.1533(4) 0.3325(3) 0.0187(11) Uani 1 1 d . . . . .
C15 C 0.4775(4) 0.2495(4) 0.1952(3) 0.0193(11) Uani 1 1 d . . . . .
C16 C 0.4174(5) 0.2378(4) 0.1209(3) 0.0193(11) Uani 1 1 d . . . . .
C17 C 0.4015(5) 0.1546(4) 0.0970(4) 0.0266(12) Uani 1 1 d . . . . .
H17 H 0.432923 0.090315 0.129948 0.032 Uiso 1 1 calc R U . . .
C18 C 0.3382(5) 0.1687(4) 0.0236(4) 0.0282(13) Uani 1 1 d . . . . .
H18 H 0.324607 0.112613 0.006263 0.034 Uiso 1 1 calc R U . . .
C19 C 0.2941(6) 0.2623(4) -0.0252(4) 0.0297(13) Uani 1 1 d . . . . .
H19 H 0.252398 0.269794 -0.076285 0.036 Uiso 1 1 calc R U . . .
C20 C 0.3098(5) 0.3456(4) -0.0008(4) 0.0260(12) Uani 1 1 d . . . . .
H20 H 0.278976 0.410000 -0.033966 0.031 Uiso 1 1 calc R U . . .
C21 C 0.3720(4) 0.3314(4) 0.0735(3) 0.0179(10) Uani 1 1 d . . . . .
C22 C 0.4068(4) 0.4010(4) 0.1181(3) 0.0178(10) Uani 1 1 d . . . . .
C23 C 0.3800(5) 0.5010(4) 0.0878(4) 0.0224(11) Uani 1 1 d . . . . .
H23 H 0.335918 0.524373 0.036282 0.027 Uiso 1 1 calc R U . . .
C24 C 0.4102(5) 0.5759(4) 0.1241(4) 0.0252(12) Uani 1 1 d . . . . .
C25 C 0.3655(5) 0.6795(4) 0.0809(4) 0.0298(13) Uani 1 1 d . . . . .
C26 C 0.3121(5) 0.7235(4) 0.0005(4) 0.0306(14) Uani 1 1 d . . . . .
H26 H 0.295005 0.688743 -0.038054 0.037 Uiso 1 1 calc R U . . .
C27 C 0.2872(6) 0.8264(5) -0.0155(6) 0.049(2) Uani 1 1 d . . . . .
H27 H 0.251749 0.869622 -0.067058 0.059 Uiso 1 1 calc R U . . .
C28 C 0.3187(7) 0.8572(5) 0.0496(6) 0.058(2) Uani 1 1 d . . . . .
H28 H 0.307170 0.924317 0.048935 0.070 Uiso 1 1 calc R U . . .
C29 C 1.0007(5) 0.2465(5) 0.5168(5) 0.0351(15) Uani 1 1 d . . . . .
H29 H 1.083001 0.230364 0.508762 0.042 Uiso 1 1 calc R U . . .
C30 C 0.9460(6) 0.2466(6) 0.5947(5) 0.0487(19) Uani 1 1 d . . . . .
H30 H 0.986656 0.231243 0.647468 0.058 Uiso 1 1 calc R U . . .
C31 C 0.8223(5) 0.2717(5) 0.5900(4) 0.0349(15) Uani 1 1 d . . . . .
H31 H 0.770641 0.273524 0.639128 0.042 Uiso 1 1 calc R U . . .
C32 C 0.7859(5) 0.2931(4) 0.5056(4) 0.0204(11) Uani 1 1 d . . . . .
C33 C 0.6698(4) 0.3278(4) 0.4693(4) 0.0193(11) Uani 1 1 d . . . . .
C34 C 0.5748(5) 0.3476(4) 0.5294(3) 0.0191(11) Uani 1 1 d . . . . .
H34 H 0.596317 0.334990 0.588176 0.023 Uiso 1 1 calc R U . . .
C35 C 0.4623(5) 0.3808(4) 0.5136(3) 0.0189(11) Uani 1 1 d . . . . .
C36 C 0.3755(5) 0.3986(4) 0.5816(4) 0.0195(11) Uani 1 1 d . . . . .
C37 C 0.3873(5) 0.3928(4) 0.6676(4) 0.0236(12) Uani 1 1 d . . . . .
H37 H 0.460440 0.371424 0.695198 0.028 Uiso 1 1 calc R U . . .
C38 C 0.2876(5) 0.4195(4) 0.7127(4) 0.0269(12) Uani 1 1 d . . . . .
H38 H 0.292604 0.416147 0.772210 0.032 Uiso 1 1 calc R U . . .
C39 C 0.1818(5) 0.4508(4) 0.6722(4) 0.0298(13) Uani 1 1 d . . . . .
H39 H 0.115327 0.468456 0.704576 0.036 Uiso 1 1 calc R U . . .
C40 C 0.1700(5) 0.4573(4) 0.5850(4) 0.0256(12) Uani 1 1 d . . . . .
H40 H 0.096788 0.478201 0.557465 0.031 Uiso 1 1 calc R U . . .
C41 C 0.2699(5) 0.4317(4) 0.5402(4) 0.0212(11) Uani 1 1 d . . . . .
C42 C 0.2929(5) 0.4348(4) 0.4491(4) 0.0201(11) Uani 1 1 d . . . . .
C43 C 0.1835(4) 0.4509(4) 0.3210(4) 0.0203(11) Uani 1 1 d . . . . .
C44 C 0.1251(4) 0.5237(4) 0.2452(4) 0.0198(11) Uani 1 1 d . . . . .
C45 C 0.1014(5) 0.6258(4) 0.2221(4) 0.0272(13) Uani 1 1 d . . . . .
H45 H 0.124919 0.662484 0.257437 0.033 Uiso 1 1 calc R U . . .
C46 C 0.0422(5) 0.6730(4) 0.1456(4) 0.0343(15) Uani 1 1 d . . . . .
H46 H 0.024792 0.743131 0.128271 0.041 Uiso 1 1 calc R U . . .
C47 C 0.0079(5) 0.6193(4) 0.0938(4) 0.0326(14) Uani 1 1 d . . . . .
H47 H -0.032519 0.653062 0.041725 0.039 Uiso 1 1 calc R U . . .
C48 C 0.0320(5) 0.5177(4) 0.1174(4) 0.0282(13) Uani 1 1 d . . . . .
H48 H 0.008168 0.480655 0.082481 0.034 Uiso 1 1 calc R U . . .
C49 C 0.0923(5) 0.4704(4) 0.1937(3) 0.0199(11) Uani 1 1 d . . . . .
C50 C 0.1306(5) 0.3644(4) 0.2382(3) 0.0201(11) Uani 1 1 d . . . . .
C51 C 0.1078(5) 0.2894(4) 0.2065(4) 0.0218(11) Uani 1 1 d . . . . .
H51 H 0.069743 0.310518 0.152263 0.026 Uiso 1 1 calc R U . . .
C52 C 0.1328(5) 0.1848(4) 0.2427(4) 0.0254(12) Uani 1 1 d . . . . .
C53 C 0.0975(5) 0.1191(4) 0.1935(4) 0.0257(12) Uani 1 1 d . . . . .
C54A C 0.0178(4) 0.1452(4) 0.1184(3) 0.0424(16) Uani 0.825(8) 1 d . . P D 1
H54A H -0.022208 0.207425 0.090494 0.051 Uiso 0.825(8) 1 calc R U P D 1
S4A S 0.15089(18) -0.00097(14) 0.22624(15) 0.0401(7) Uani 0.825(8) 1 d . . P D
1
S4B S 0.0178(4) 0.1452(4) 0.1184(3) 0.0424(16) Uani 0.175(8) 1 d . . P D 2
C54B C 0.15089(18) -0.00097(14) 0.22624(15) 0.0401(7) Uani 0.175(8) 1 d . . P D
2
H54B H 0.201661 -0.039017 0.270966 0.048 Uiso 0.175(8) 1 calc R U P D 2
C55 C 0.0158(7) 0.0527(6) 0.0979(5) 0.0477(18) Uani 1 1 d . . . . .
H55 H -0.027573 0.047862 0.051190 0.057 Uiso 1 1 calc R U . D 1
C56 C 0.0802(6) -0.0264(6) 0.1500(6) 0.050(2) Uani 1 1 d . . . . .
H56 H 0.084298 -0.090554 0.143343 0.060 Uiso 1 1 calc R U . D 1
C57 C 0.2162(6) 0.6497(6) 0.8047(5) 0.0464(18) Uani 1 1 d . . . . .
H57A H 0.173685 0.695690 0.830918 0.070 Uiso 1 1 calc R U . . .
H57B H 0.158300 0.616436 0.781951 0.070 Uiso 1 1 calc R U . . .
H57C H 0.272063 0.687734 0.755963 0.070 Uiso 1 1 calc R U . . .
N1 N 0.4846(4) 0.1614(3) 0.3979(3) 0.0185(9) Uani 1 1 d . . . . .
N2 N 0.5380(4) 0.1753(3) 0.2482(3) 0.0236(10) Uani 1 1 d . . . . .
N3 N 0.4692(4) 0.3464(3) 0.1920(3) 0.0200(9) Uani 1 1 d . . . . .
N4 N 0.4057(4) 0.4060(3) 0.4334(3) 0.0187(9) Uani 1 1 d . . . . .
N5 N 0.2156(4) 0.4774(3) 0.3852(3) 0.0247(10) Uani 1 1 d . . . . .
N6 N 0.1858(4) 0.3577(3) 0.3138(3) 0.0179(9) Uani 1 1 d . . . . .
O5 O 0.2779(4) 0.5793(4) 0.8673(3) 0.0504(13) Uani 1 1 d . . . . .
H5 H 0.349808 0.577773 0.848570 0.076 Uiso 1 1 calc R U . . .
O1 O 0.2991(3) 0.1850(3) 0.5402(2) 0.0248(8) Uani 1 1 d . . . . .
O2 O 0.4717(5) 0.5592(3) 0.1880(3) 0.0422(12) Uani 1 1 d . . . . .
O3 O 0.6570(3) 0.3390(3) 0.3917(2) 0.0258(9) Uani 1 1 d . . . . .
O4 O 0.1825(4) 0.1424(3) 0.3131(3) 0.0377(11) Uani 1 1 d . . . . .
S2 S 0.38089(19) 0.76482(13) 0.13299(14) 0.0504(5) Uani 1 1 d . . . . .
S3 S 0.90326(13) 0.27922(12) 0.43505(11) 0.0332(4) 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
Ag1 N1 2.184(4) . ?
Ag1 N6 2.187(4) . ?
Ag1 O1 2.443(4) . ?
Ag1 O4 2.473(4) . ?
Ag1 Ag2 2.9043(6) . ?
Ag2 N4 2.184(4) . ?
Ag2 N3 2.208(4) . ?
Ag2 O3 2.430(4) . ?
Ag2 O2 2.473(4) . ?
C1 C2 1.356(9) . ?
C1 C3B 1.681(6) . ?
C1 S1A 1.681(6) . ?
C1 H1 0.9500 . ?
C2 S1B 1.434(8) . ?
C2 C3A 1.434(8) . ?
C2 H2 0.9500 . ?
S1A C4 1.712(6) . ?
C3A C4 1.434(8) . ?
C3A H3AA 0.9500 . ?
C3B C4 1.712(6) . ?
C3B H3BA 0.9500 . ?
S1B C4 1.434(8) . ?
C4 C5 1.455(7) . ?
C5 O1 1.232(6) . ?
C5 C6 1.459(7) . ?
C6 C7 1.354(7) . ?
C6 H6 0.9500 . ?
C7 N1 1.383(6) . ?
C7 C8 1.484(7) . ?
C8 C9 1.381(7) . ?
C8 C13 1.390(7) . ?
C9 C10 1.382(8) . ?
C9 H9 0.9500 . ?
C10 C11 1.393(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.386(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.470(7) . ?
C14 N2 1.329(7) . ?
C14 N1 1.342(7) . ?
C15 N2 1.305(7) . ?
C15 N3 1.354(7) . ?
C15 C16 1.479(7) . ?
C16 C21 1.380(7) . ?
C16 C17 1.381(7) . ?
C17 C18 1.378(8) . ?
C17 H17 0.9500 . ?
C18 C19 1.380(8) . ?
C18 H18 0.9500 . ?
C19 C20 1.388(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.383(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.486(7) . ?
C22 C23 1.357(7) . ?
C22 N3 1.397(6) . ?
C23 C24 1.440(7) . ?
C23 H23 0.9500 . ?
C24 O2 1.233(7) . ?
C24 C25 1.474(8) . ?
C25 C26 1.399(9) . ?
C25 S2 1.713(6) . ?
C26 C27 1.409(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.343(12) . ?
C27 H27 0.9500 . ?
C28 S2 1.689(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.353(10) . ?
C29 S3 1.704(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.417(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.379(8) . ?
C31 H31 0.9500 . ?
C32 C33 1.463(7) . ?
C32 S3 1.719(5) . ?
C33 O3 1.224(6) . ?
C33 C34 1.466(7) . ?
C34 C35 1.338(7) . ?
C34 H34 0.9500 . ?
C35 N4 1.411(7) . ?
C35 C36 1.487(7) . ?
C36 C37 1.377(7) . ?
C36 C41 1.386(7) . ?
C37 C38 1.394(8) . ?
C37 H37 0.9500 . ?
C38 C39 1.379(8) . ?
C38 H38 0.9500 . ?
C39 C40 1.392(8) . ?
C39 H39 0.9500 . ?
C40 C41 1.386(8) . ?
C40 H40 0.9500 . ?
C41 C42 1.456(7) . ?
C42 N4 1.342(7) . ?
C42 N5 1.356(7) . ?
C43 N5 1.296(7) . ?
C43 N6 1.363(7) . ?
C43 C44 1.476(7) . ?
C44 C49 1.378(7) . ?
C44 C45 1.382(7) . ?
C45 C46 1.389(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.391(9) . ?
C46 H46 0.9500 . ?
C47 C48 1.376(8) . ?
C47 H47 0.9500 . ?
C48 C49 1.393(7) . ?
C48 H48 0.9500 . ?
C49 C50 1.483(7) . ?
C50 C51 1.370(7) . ?
C50 N6 1.381(6) . ?
C51 C52 1.415(8) . ?
C51 H51 0.9500 . ?
C52 O4 1.248(7) . ?
C52 C53 1.498(8) . ?
C53 S4B 1.494(7) . ?
C53 C54A 1.494(7) . ?
C53 C54B 1.694(6) . ?
C53 S4A 1.694(6) . ?
C54A C55 1.459(8) . ?
C54A H54A 0.9500 . ?
S4A C56 1.657(8) . ?
S4B C55 1.459(8) . ?
C54B C56 1.657(8) . ?
C54B H54B 0.9500 . ?
C55 C56 1.362(11) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 O5 1.359(8) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
O5 H5 0.8400 . ?

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
N1 Ag1 N6 152.90(16) . . ?
N1 Ag1 O1 82.82(14) . . ?
N6 Ag1 O1 114.58(14) . . ?
N1 Ag1 O4 109.29(15) . . ?
N6 Ag1 O4 81.64(15) . . ?
O1 Ag1 O4 118.18(14) . . ?
N1 Ag1 Ag2 73.78(11) . . ?
N6 Ag1 Ag2 81.00(11) . . ?
O1 Ag1 Ag2 107.14(9) . . ?
O4 Ag1 Ag2 134.66(11) . . ?
N4 Ag2 N3 151.58(16) . . ?
N4 Ag2 O3 81.95(14) . . ?
N3 Ag2 O3 116.69(14) . . ?
N4 Ag2 O2 110.50(16) . . ?
N3 Ag2 O2 79.30(15) . . ?
O3 Ag2 O2 121.15(14) . . ?
N4 Ag2 Ag1 74.32(11) . . ?
N3 Ag2 Ag1 79.51(12) . . ?
O3 Ag2 Ag1 106.85(10) . . ?
O2 Ag2 Ag1 132.00(11) . . ?
C2 C1 C3B 112.9(5) . . ?
C2 C1 S1A 112.9(5) . . ?
C2 C1 H1 123.6 . . ?
S1A C1 H1 123.6 . . ?
C1 C2 S1B 114.3(6) . . ?
C1 C2 C3A 114.3(6) . . ?
C1 C2 H2 122.8 . . ?
C3A C2 H2 122.8 . . ?
C1 S1A C4 92.4(3) . . ?
C4 C3A C2 108.4(5) . . ?
C4 C3A H3AA 125.8 . . ?
C2 C3A H3AA 125.8 . . ?
C1 C3B C4 92.4(3) . . ?
C1 C3B H3BA 133.8 . . ?
C4 C3B H3BA 133.8 . . ?
C4 S1B C2 108.4(5) . . ?
S1B C4 C5 129.6(5) . . ?
C3A C4 C5 129.6(5) . . ?
S1B C4 C3B 111.9(4) . . ?
C5 C4 C3B 118.5(4) . . ?
C3A C4 S1A 111.9(4) . . ?
C5 C4 S1A 118.5(4) . . ?
O1 C5 C4 118.5(5) . . ?
O1 C5 C6 125.1(5) . . ?
C4 C5 C6 116.4(5) . . ?
C7 C6 C5 128.8(5) . . ?
C7 C6 H6 115.6 . . ?
C5 C6 H6 115.6 . . ?
C6 C7 N1 129.2(5) . . ?
C6 C7 C8 121.9(5) . . ?
N1 C7 C8 109.0(4) . . ?
C9 C8 C13 121.3(5) . . ?
C9 C8 C7 132.7(5) . . ?
C13 C8 C7 106.0(4) . . ?
C8 C9 C10 117.5(5) . . ?
C8 C9 H9 121.2 . . ?
C10 C9 H9 121.2 . . ?
C9 C10 C11 121.4(5) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C12 C11 C10 121.0(5) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C11 C12 C13 117.6(5) . . ?
C11 C12 H12 121.2 . . ?
C13 C12 H12 121.2 . . ?
C12 C13 C8 121.2(5) . . ?
C12 C13 C14 132.7(5) . . ?
C8 C13 C14 106.1(4) . . ?
N2 C14 N1 126.1(5) . . ?
N2 C14 C13 122.6(5) . . ?
N1 C14 C13 110.8(4) . . ?
N2 C15 N3 128.1(5) . . ?
N2 C15 C16 121.3(5) . . ?
N3 C15 C16 110.3(4) . . ?
C21 C16 C17 121.7(5) . . ?
C21 C16 C15 106.6(4) . . ?
C17 C16 C15 131.6(5) . . ?
C18 C17 C16 117.3(5) . . ?
C18 C17 H17 121.3 . . ?
C16 C17 H17 121.3 . . ?
C17 C18 C19 121.5(5) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 H18 119.2 . . ?
C18 C19 C20 121.0(5) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 H19 119.5 . . ?
C21 C20 C19 117.6(5) . . ?
C21 C20 H20 121.2 . . ?
C19 C20 H20 121.2 . . ?
C16 C21 C20 120.8(5) . . ?
C16 C21 C22 106.4(4) . . ?
C20 C21 C22 132.8(5) . . ?
C23 C22 N3 128.4(5) . . ?
C23 C22 C21 122.7(5) . . ?
N3 C22 C21 108.9(4) . . ?
C22 C23 C24 127.9(5) . . ?
C22 C23 H23 116.0 . . ?
C24 C23 H23 116.0 . . ?
O2 C24 C23 124.3(5) . . ?
O2 C24 C25 118.2(5) . . ?
C23 C24 C25 117.5(5) . . ?
C26 C25 C24 130.6(5) . . ?
C26 C25 S2 111.6(4) . . ?
C24 C25 S2 117.8(5) . . ?
C25 C26 C27 110.7(6) . . ?
C25 C26 H26 124.7 . . ?
C27 C26 H26 124.7 . . ?
C28 C27 C26 113.1(7) . . ?
C28 C27 H27 123.4 . . ?
C26 C27 H27 123.4 . . ?
C27 C28 S2 113.4(5) . . ?
C27 C28 H28 123.3 . . ?
S2 C28 H28 123.3 . . ?
C30 C29 S3 111.4(5) . . ?
C30 C29 H29 124.3 . . ?
S3 C29 H29 124.3 . . ?
C29 C30 C31 113.6(6) . . ?
C29 C30 H30 123.2 . . ?
C31 C30 H30 123.2 . . ?
C32 C31 C30 111.8(6) . . ?
C32 C31 H31 124.1 . . ?
C30 C31 H31 124.1 . . ?
C31 C32 C33 130.7(5) . . ?
C31 C32 S3 110.8(4) . . ?
C33 C32 S3 118.5(4) . . ?
O3 C33 C32 119.2(5) . . ?
O3 C33 C34 123.8(5) . . ?
C32 C33 C34 117.0(5) . . ?
C35 C34 C33 129.5(5) . . ?
C35 C34 H34 115.3 . . ?
C33 C34 H34 115.3 . . ?
C34 C35 N4 128.0(5) . . ?
C34 C35 C36 123.5(5) . . ?
N4 C35 C36 108.5(4) . . ?
C37 C36 C41 121.8(5) . . ?
C37 C36 C35 132.0(5) . . ?
C41 C36 C35 106.2(5) . . ?
C36 C37 C38 117.3(5) . . ?
C36 C37 H37 121.4 . . ?
C38 C37 H37 121.4 . . ?
C39 C38 C37 121.1(5) . . ?
C39 C38 H38 119.5 . . ?
C37 C38 H38 119.5 . . ?
C38 C39 C40 121.7(5) . . ?
C38 C39 H39 119.2 . . ?
C40 C39 H39 119.2 . . ?
C41 C40 C39 117.0(5) . . ?
C41 C40 H40 121.5 . . ?
C39 C40 H40 121.5 . . ?
C36 C41 C40 121.2(5) . . ?
C36 C41 C42 106.5(5) . . ?
C40 C41 C42 132.3(5) . . ?
N4 C42 N5 124.2(5) . . ?
N4 C42 C41 111.9(5) . . ?
N5 C42 C41 123.0(5) . . ?
N5 C43 N6 129.1(5) . . ?
N5 C43 C44 120.9(5) . . ?
N6 C43 C44 109.7(4) . . ?
C49 C44 C45 121.3(5) . . ?
C49 C44 C43 106.6(4) . . ?
C45 C44 C43 132.2(5) . . ?
C44 C45 C46 117.8(5) . . ?
C44 C45 H45 121.1 . . ?
C46 C45 H45 121.1 . . ?
C45 C46 C47 121.1(5) . . ?
C45 C46 H46 119.5 . . ?
C47 C46 H46 119.5 . . ?
C48 C47 C46 120.6(6) . . ?
C48 C47 H47 119.7 . . ?
C46 C47 H47 119.7 . . ?
C47 C48 C49 118.3(5) . . ?
C47 C48 H48 120.8 . . ?
C49 C48 H48 120.8 . . ?
C44 C49 C48 120.9(5) . . ?
C44 C49 C50 106.7(4) . . ?
C48 C49 C50 132.5(5) . . ?
C51 C50 N6 128.8(5) . . ?
C51 C50 C49 122.4(5) . . ?
N6 C50 C49 108.8(4) . . ?
C50 C51 C52 129.5(5) . . ?
C50 C51 H51 115.3 . . ?
C52 C51 H51 115.3 . . ?
O4 C52 C51 125.0(5) . . ?
O4 C52 C53 116.8(5) . . ?
C51 C52 C53 118.2(5) . . ?
S4B C53 C52 128.1(5) . . ?
C54A C53 C52 128.1(5) . . ?
S4B C53 C54B 114.3(4) . . ?
C52 C53 C54B 117.6(4) . . ?
C54A C53 S4A 114.3(4) . . ?
C52 C53 S4A 117.6(4) . . ?
C55 C54A C53 103.7(5) . . ?
C55 C54A H54A 128.1 . . ?
C53 C54A H54A 128.1 . . ?
C56 S4A C53 92.2(4) . . ?
C55 S4B C53 103.7(5) . . ?
C56 C54B C53 92.2(4) . . ?
C56 C54B H54B 133.9 . . ?
C53 C54B H54B 133.9 . . ?
C56 C55 C54A 115.6(6) . . ?
C56 C55 S4B 115.6(6) . . ?
C56 C55 H55 122.2 . . ?
C54A C55 H55 122.2 . . ?
C55 C56 S4A 114.2(5) . . ?
C55 C56 C54B 114.2(5) . . ?
C55 C56 H56 122.9 . . ?
S4A C56 H56 122.9 . . ?
O5 C57 H57A 109.5 . . ?
O5 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
O5 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C14 N1 C7 108.1(4) . . ?
C14 N1 Ag1 124.8(3) . . ?
C7 N1 Ag1 127.0(3) . . ?
C15 N2 C14 131.6(5) . . ?
C15 N3 C22 107.8(4) . . ?
C15 N3 Ag2 124.1(3) . . ?
C22 N3 Ag2 123.4(3) . . ?
C42 N4 C35 107.0(4) . . ?
C42 N4 Ag2 125.3(3) . . ?
C35 N4 Ag2 127.7(3) . . ?
C43 N5 C42 131.8(5) . . ?
C43 N6 C50 108.2(4) . . ?
C43 N6 Ag1 125.4(3) . . ?
C50 N6 Ag1 123.0(3) . . ?
C57 O5 H5 109.5 . . ?
C5 O1 Ag1 126.9(3) . . ?
C24 O2 Ag2 123.0(4) . . ?
C33 O3 Ag2 129.0(3) . . ?
C52 O4 Ag1 122.5(4) . . ?
C28 S2 C25 91.2(4) . . ?
C29 S3 C32 92.4(3) . . ?

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
C26 H26 O5 0.95 2.54 3.484(9) 171.1 1_554 yes
C29 H29 O1 0.95 2.52 3.434(7) 160.9 1_655 yes
C30 H30 S1A^a 0.95 2.98 3.773(7) 141.9 1_655 yes
C57 H57C O3 0.98 2.59 3.320(8) 130.9 2_666 yes
O5 H5 N3 0.84 2.28 3.034(7) 149.4 2_666 yes

_refine_diff_density_max         2.176
_refine_diff_density_min         -1.057
_refine_diff_density_rms         0.151

