# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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. 
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#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2342764'
loop_
_audit_author_name
_audit_author_address
'CHEN HUI'
;Tongji University
China
;
_audit_update_record             
;
2024-03-24 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_audit_creation_date             2023-09-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H48 Ag6 N6 O6 S6, C H2 Cl2'
_chemical_formula_sum            'C31 H50 Ag6 Cl2 N6 O6 S6'
_chemical_formula_weight         1513.25
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   12.2559(8)
_cell_length_b                   19.1800(12)
_cell_length_c                   20.0247(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4707.2(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.56
_cell_measurement_theta_min      2.75
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.873
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.3920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1208 before and 0.0767 after correction. The Ratio of minimum to maximum transmission is 0.5259. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.135
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             2952
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_av_unetI/netI     0.0268
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            57878
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.493
_diffrn_reflns_theta_min         1.470
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.811
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.984
_reflns_number_gt                10622
_reflns_number_total             10652
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.752
_refine_diff_density_min         -1.285
_refine_diff_density_rms         0.167
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.18(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     521
_refine_ls_number_reflns         10652
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0231
_refine_ls_R_factor_gt           0.0230
_refine_ls_restrained_S_all      1.154
_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)+(0.0219P)²+9.1315P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0573
_refine_ls_wR_factor_ref         0.0574
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.82(2)
 0.18(2)
2. 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
3. Rigid bond restraints
 C6AA
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C35: within 2A with sigma of 0.02 and sigma for terminal atoms of 0.02
Uanis(C35) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C6AA) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
5.a Ternary CH refined with riding coordinates:
 C36(H36), C10(H10), C16(H16), C9AA(H9AA), C0AA(H0AA), C3AA(H3AA)
5.b Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B), C37(H37A,H37B), C8(H8A,H8B), C12(H12A,H12B), C15(H15A,H15B),
 C17(H17A,H17B), C4AA(H4AA,H4AB), C5AA(H5AA,H5AB), C1AA(H1AA,H1AB), C2AA(H2AA,
 H2AB), C7AA(H7AA,H7AB), C8AA(H8AA,H8AB), C0BA(H0BA,H0BB)
5.c Idealised Me refined as rotating group:
 C33(H33A,H33B,H33C), C13(H13A,H13B,H13C), C22(H22A,H22B,H22C), C6(H6A,H6B,
 H6C), C11(H11A,H11B,H11C), C6AA(H6AA,H6AB,H6AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.22122(3) 0.14158(2) 0.27874(2) 0.00942(7) Uani 1 1 d . . . . .
Ag2 Ag 0.33188(3) 0.36231(2) 0.22755(2) 0.00750(7) Uani 1 1 d . . . . .
Ag3 Ag 0.34049(3) 0.25511(2) 0.34496(2) 0.00705(7) Uani 1 1 d . . . . .
Ag4 Ag 0.22078(3) 0.24854(2) 0.15030(2) 0.00823(7) Uani 1 1 d . . . . .
Ag5 Ag 0.12638(3) 0.30352(2) 0.28204(2) 0.00808(7) Uani 1 1 d . . . . .
Ag6 Ag 0.42460(3) 0.19170(2) 0.21268(2) 0.00955(7) Uani 1 1 d . . . . .
S7 S 0.07462(8) 0.19729(6) 0.34638(5) 0.00925(19) Uani 1 1 d . . . . .
S8 S 0.47706(9) 0.30499(6) 0.16050(5) 0.0094(2) Uani 1 1 d . . . . .
S9 S 0.18387(9) 0.12098(6) 0.15831(5) 0.00819(19) Uani 1 1 d . . . . .
S10 S 0.48854(8) 0.17026(6) 0.32807(5) 0.00709(19) Uani 1 1 d . . . . .
S11 S 0.07359(9) 0.33699(6) 0.16598(5) 0.0085(2) Uani 1 1 d . . . . .
S12 S 0.36720(8) 0.38355(6) 0.34913(5) 0.00725(19) Uani 1 1 d . . . . .
C1 C 0.4340(4) 0.0885(2) 0.3485(2) 0.0072(8) Uani 1 1 d . . . . .
C2 C 0.1282(4) 0.4215(2) 0.1549(2) 0.0087(8) Uani 1 1 d . . . . .
C4 C 0.4306(4) 0.2958(2) 0.0777(2) 0.0093(8) Uani 1 1 d . . . . .
C7 C 0.1325(4) 0.2134(2) 0.4259(2) 0.0092(8) Uani 1 1 d . . . . .
N14 N 0.3349(4) 0.2740(2) 0.06304(19) 0.0111(8) Uani 1 1 d . . . . .
N23 N 0.3405(3) 0.0659(2) 0.32924(18) 0.0083(7) Uani 1 1 d . . . . .
N5 N 0.3993(3) 0.1006(2) 0.14178(18) 0.0094(7) Uani 1 1 d . . . . .
O11 O 0.5105(3) 0.3143(2) 0.03419(18) 0.0214(8) Uani 1 1 d . . . . .
C33 C 0.2918(5) 0.1920(3) -0.0275(2) 0.0220(11) Uani 1 1 d . . . . .
H33A H 0.363824 0.172368 -0.029273 0.033 Uiso 1 1 calc GR . . . .
H33B H 0.258200 0.188402 -0.070673 0.033 Uiso 1 1 calc GR . . . .
H33C H 0.248866 0.167028 0.004674 0.033 Uiso 1 1 calc GR . . . .
C35 C 0.3734(5) 0.3105(3) -0.0533(3) 0.0218(11) Uani 1 1 d . U . . .
H35A H 0.360297 0.297234 -0.099303 0.026 Uiso 1 1 calc R . . . .
H35B H 0.357610 0.359848 -0.048696 0.026 Uiso 1 1 calc R . . . .
C36 C 0.2991(4) 0.2687(3) -0.0072(2) 0.0153(10) Uani 1 1 d . . . . .
H36 H 0.225641 0.288594 -0.010276 0.018 Uiso 1 1 calc R . . . .
C37 C 0.4904(5) 0.2969(3) -0.0354(3) 0.0274(13) Uani 1 1 d . . . . .
H37A H 0.507234 0.248074 -0.042948 0.033 Uiso 1 1 calc R . . . .
H37B H 0.537590 0.324581 -0.063833 0.033 Uiso 1 1 calc R . . . .
O3 O 0.0589(3) 0.45974(18) 0.11661(17) 0.0122(7) Uani 1 1 d . . . . .
O5 O 0.5074(3) 0.05298(17) 0.38672(17) 0.0117(7) Uani 1 1 d . . . . .
N7 N 0.2174(3) 0.4427(2) 0.18087(19) 0.0088(7) Uani 1 1 d . . . . .
O10 O 0.0568(3) 0.2009(2) 0.47385(16) 0.0143(7) Uani 1 1 d . . . . .
N18 N 0.2297(3) 0.2339(2) 0.43444(18) 0.0102(7) Uani 1 1 d . . . . .
C3 C 0.2412(4) 0.4127(2) 0.3800(2) 0.0069(8) Uani 1 1 d . . . . .
O4 O 0.2596(3) 0.45922(18) 0.43101(16) 0.0123(7) Uani 1 1 d . . . . .
C5 C 0.3027(4) 0.0809(2) 0.1276(2) 0.0077(8) Uani 1 1 d . . . . .
N6 N 0.1480(3) 0.3942(2) 0.35765(19) 0.0094(7) Uani 1 1 d . . . . .
O7 O 0.2747(3) 0.02668(18) 0.08719(17) 0.0155(7) Uani 1 1 d . . . . .
C8 C 0.0928(4) 0.5305(3) 0.1008(3) 0.0149(9) Uani 1 1 d . . . . .
H8A H 0.029365 0.558387 0.089605 0.018 Uiso 1 1 calc R . . . .
H8B H 0.141025 0.529928 0.062426 0.018 Uiso 1 1 calc R . . . .
C10 C 0.2489(4) 0.5175(3) 0.1759(2) 0.0116(9) Uani 1 1 d . . . . .
H10 H 0.302132 0.522257 0.139680 0.014 Uiso 1 1 calc R . . . .
C12 C 0.1507(4) 0.5625(2) 0.1592(2) 0.0139(9) Uani 1 1 d . . . . .
H12A H 0.101972 0.565023 0.197273 0.017 Uiso 1 1 calc R . . . .
H12B H 0.174138 0.609413 0.148136 0.017 Uiso 1 1 calc R . . . .
C13 C 0.3038(5) 0.5393(3) 0.2406(3) 0.0202(11) Uani 1 1 d . . . . .
H13A H 0.253248 0.534204 0.276967 0.030 Uiso 1 1 calc GR . . . .
H13B H 0.326335 0.587092 0.237449 0.030 Uiso 1 1 calc GR . . . .
H13C H 0.366343 0.510311 0.248438 0.030 Uiso 1 1 calc GR . . . .
C15 C 0.4646(5) 0.0227(3) 0.0513(2) 0.0191(11) Uani 1 1 d . . . . .
H15A H 0.451067 0.053465 0.013688 0.023 Uiso 1 1 calc R . . . .
H15B H 0.523955 -0.008417 0.039515 0.023 Uiso 1 1 calc R . . . .
C16 C 0.4951(4) 0.0652(3) 0.1124(2) 0.0138(9) Uani 1 1 d . . . . .
H16 H 0.523849 0.032903 0.145987 0.017 Uiso 1 1 calc R . . . .
C17 C 0.3636(5) -0.0187(3) 0.0668(3) 0.0197(11) Uani 1 1 d . . . . .
H17A H 0.341918 -0.045046 0.027653 0.024 Uiso 1 1 calc R . . . .
H17B H 0.379329 -0.051632 0.102366 0.024 Uiso 1 1 calc R . . . .
C22 C 0.5836(5) 0.1182(3) 0.0974(3) 0.0258(12) Uani 1 1 d . . . . .
H22A H 0.557225 0.151140 0.065113 0.039 Uiso 1 1 calc GR . . . .
H22B H 0.646615 0.094751 0.079896 0.039 Uiso 1 1 calc GR . . . .
H22C H 0.603030 0.142299 0.137716 0.039 Uiso 1 1 calc GR . . . .
C4AA C 0.0706(4) 0.4942(3) 0.4196(3) 0.0164(10) Uani 1 1 d . . . . .
H4AA H 0.089877 0.529499 0.387045 0.020 Uiso 1 1 calc R . . . .
H4AB H 0.006694 0.509977 0.443901 0.020 Uiso 1 1 calc R . . . .
C5AA C 0.1638(4) 0.4827(3) 0.4671(2) 0.0163(10) Uani 1 1 d . . . . .
H5AA H 0.180245 0.525817 0.490329 0.020 Uiso 1 1 calc R . . . .
H5AB H 0.143431 0.448037 0.500129 0.020 Uiso 1 1 calc R . . . .
C9AA C 0.2705(4) 0.2519(3) 0.5017(2) 0.0114(8) Uani 1 1 d . . . . .
H9AA H 0.314387 0.294425 0.497575 0.014 Uiso 1 1 calc R . . . .
C6 C 0.3456(4) 0.1939(3) 0.5274(2) 0.0184(10) Uani 1 1 d . . . . .
H6A H 0.303257 0.152794 0.536096 0.028 Uiso 1 1 calc GR . . . .
H6B H 0.380491 0.208903 0.567817 0.028 Uiso 1 1 calc GR . . . .
H6C H 0.399986 0.183717 0.494301 0.028 Uiso 1 1 calc GR . . . .
C1AA C 0.3656(4) -0.0326(3) 0.4076(3) 0.0175(10) Uani 1 1 d . . . . .
H1AA H 0.342213 -0.007963 0.447358 0.021 Uiso 1 1 calc R . . . .
H1AB H 0.351310 -0.081937 0.413830 0.021 Uiso 1 1 calc R . . . .
C0AA C 0.3040(4) -0.0059(2) 0.3472(3) 0.0139(9) Uani 1 1 d . . . . .
H0AA H 0.319450 -0.036822 0.309386 0.017 Uiso 1 1 calc R . . . .
C2AA C 0.4857(4) -0.0208(3) 0.3958(3) 0.0187(10) Uani 1 1 d . . . . .
H2AA H 0.526965 -0.038067 0.433727 0.022 Uiso 1 1 calc R . . . .
H2AB H 0.508811 -0.046298 0.356470 0.022 Uiso 1 1 calc R . . . .
C11 C 0.1819(4) -0.0048(3) 0.3585(3) 0.0248(12) Uani 1 1 d . . . . .
H11A H 0.164999 0.026928 0.394141 0.037 Uiso 1 1 calc GR . . . .
H11B H 0.157341 -0.050729 0.370173 0.037 Uiso 1 1 calc GR . . . .
H11C H 0.145853 0.010158 0.318421 0.037 Uiso 1 1 calc GR . . . .
C3AA C 0.0462(4) 0.4252(3) 0.3846(3) 0.0155(10) Uani 1 1 d . . . . .
H3AA H 0.015167 0.392900 0.417352 0.019 Uiso 1 1 calc R . . . .
C7AA C 0.0931(4) 0.2102(3) 0.5427(2) 0.0142(9) Uani 1 1 d . . . . .
H7AA H 0.124958 0.167116 0.558842 0.017 Uiso 1 1 calc R . . . .
H7AB H 0.030763 0.221160 0.570710 0.017 Uiso 1 1 calc R . . . .
C6AA C -0.0351(4) 0.4345(3) 0.3285(3) 0.0256(12) Uani 1 1 d . U . . .
H6AA H -0.005269 0.465328 0.295454 0.038 Uiso 1 1 calc GR . . . .
H6AB H -0.101373 0.454008 0.345967 0.038 Uiso 1 1 calc GR . . . .
H6AC H -0.050335 0.390062 0.308528 0.038 Uiso 1 1 calc GR . . . .
C8AA C 0.1758(4) 0.2679(3) 0.5480(2) 0.0141(9) Uani 1 1 d . . . . .
H8AA H 0.201666 0.271595 0.593593 0.017 Uiso 1 1 calc R . . . .
H8AB H 0.142642 0.311921 0.535547 0.017 Uiso 1 1 calc R . . . .
Cl1 Cl 0.66483(18) 0.34537(9) 0.29240(7) 0.0416(4) Uani 1 1 d . . . . .
Cl2 Cl 0.8170(2) 0.23567(13) 0.25435(13) 0.0670(7) Uani 1 1 d . . . . .
C0BA C 0.7506(5) 0.3108(4) 0.2286(3) 0.0310(13) Uani 1 1 d . . . . .
H0BA H 0.706928 0.300423 0.189483 0.037 Uiso 1 1 calc R . . . .
H0BB H 0.804378 0.345548 0.216146 0.037 Uiso 1 1 calc R . . . .


_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 Ag3 2.9389(5) . ?
Ag1 Ag4 3.2899(5) . ?
Ag1 Ag5 3.3170(5) . ?
Ag1 Ag6 2.9811(5) . ?
Ag1 S7 2.4909(11) . ?
Ag1 S9 2.4863(11) . ?
Ag1 N23 2.295(4) . ?
Ag2 Ag3 3.1252(5) . ?
Ag2 Ag4 3.0014(5) . ?
Ag2 Ag5 2.9674(5) . ?
Ag2 S8 2.4855(11) . ?
Ag2 S12 2.5061(11) . ?
Ag2 N7 2.285(4) . ?
Ag3 Ag5 3.0554(5) . ?
Ag3 Ag6 3.0918(5) . ?
Ag3 S10 2.4608(11) . ?
Ag3 S12 2.4865(11) . ?
Ag3 N18 2.284(4) . ?
Ag4 Ag5 3.0675(5) . ?
Ag4 Ag6 2.9981(5) . ?
Ag4 S9 2.4933(11) . ?
Ag4 S11 2.4962(11) . ?
Ag4 N14 2.291(4) . ?
Ag5 S7 2.4927(12) . ?
Ag5 S11 2.4965(11) . ?
Ag5 N6 2.321(4) . ?
Ag6 S8 2.4954(12) . ?
Ag6 S10 2.4744(11) . ?
Ag6 N5 2.272(4) . ?
S7 C7 1.770(5) . ?
S8 C4 1.762(5) . ?
S9 C5 1.759(5) . ?
S10 C1 1.753(5) . ?
S11 C2 1.768(5) . ?
S12 C3 1.755(4) . ?
C1 N23 1.284(6) . ?
C1 O5 1.364(5) . ?
C2 O3 1.359(5) . ?
C2 N7 1.276(6) . ?
C4 N14 1.279(6) . ?
C4 O11 1.358(5) . ?
C7 O10 1.357(5) . ?
C7 N18 1.267(6) . ?
N14 C36 1.477(6) . ?
N23 C0AA 1.491(6) . ?
N5 C5 1.275(6) . ?
N5 C16 1.478(6) . ?
O11 C37 1.455(6) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C33 C36 1.528(7) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.524(7) . ?
C35 C37 1.501(9) . ?
C36 H36 0.9800 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
O3 C8 1.455(6) . ?
O5 C2AA 1.451(6) . ?
N7 C10 1.489(6) . ?
O10 C7AA 1.460(6) . ?
N18 C9AA 1.477(6) . ?
C3 O4 1.374(5) . ?
C3 N6 1.277(6) . ?
O4 C5AA 1.450(6) . ?
C5 O7 1.361(5) . ?
N6 C3AA 1.484(6) . ?
O7 C17 1.454(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C12 1.498(7) . ?
C10 H10 0.9800 . ?
C10 C12 1.519(6) . ?
C10 C13 1.519(7) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.518(7) . ?
C15 C17 1.504(8) . ?
C16 H16 0.9800 . ?
C16 C22 1.517(7) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C4AA H4AA 0.9700 . ?
C4AA H4AB 0.9700 . ?
C4AA C5AA 1.503(7) . ?
C4AA C3AA 1.527(7) . ?
C5AA H5AA 0.9700 . ?
C5AA H5AB 0.9700 . ?
C9AA H9AA 0.9800 . ?
C9AA C6 1.532(7) . ?
C9AA C8AA 1.517(6) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C1AA H1AA 0.9700 . ?
C1AA H1AB 0.9700 . ?
C1AA C0AA 1.515(7) . ?
C1AA C2AA 1.508(7) . ?
C0AA H0AA 0.9800 . ?
C0AA C11 1.514(7) . ?
C2AA H2AA 0.9700 . ?
C2AA H2AB 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C3AA H3AA 0.9800 . ?
C3AA C6AA 1.512(7) . ?
C7AA H7AA 0.9700 . ?
C7AA H7AB 0.9700 . ?
C7AA C8AA 1.503(7) . ?
C6AA H6AA 0.9600 . ?
C6AA H6AB 0.9600 . ?
C6AA H6AC 0.9600 . ?
C8AA H8AA 0.9700 . ?
C8AA H8AB 0.9700 . ?
Cl1 C0BA 1.782(6) . ?
Cl2 C0BA 1.733(7) . ?
C0BA H0BA 0.9700 . ?
C0BA H0BB 0.9700 . ?

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
Ag3 Ag1 Ag4 83.772(13) . . ?
Ag3 Ag1 Ag5 58.093(11) . . ?
Ag3 Ag1 Ag6 62.964(11) . . ?
Ag4 Ag1 Ag5 55.326(10) . . ?
Ag6 Ag1 Ag4 56.864(10) . . ?
Ag6 Ag1 Ag5 89.993(12) . . ?
S7 Ag1 Ag3 78.20(3) . . ?
S7 Ag1 Ag4 99.00(3) . . ?
S7 Ag1 Ag5 48.29(3) . . ?
S7 Ag1 Ag6 134.92(3) . . ?
S9 Ag1 Ag3 130.32(3) . . ?
S9 Ag1 Ag4 48.74(3) . . ?
S9 Ag1 Ag5 95.95(3) . . ?
S9 Ag1 Ag6 76.98(3) . . ?
S9 Ag1 S7 117.57(4) . . ?
N23 Ag1 Ag3 87.31(10) . . ?
N23 Ag1 Ag4 137.73(9) . . ?
N23 Ag1 Ag5 143.78(10) . . ?
N23 Ag1 Ag6 82.35(10) . . ?
N23 Ag1 S7 119.43(10) . . ?
N23 Ag1 S9 116.37(10) . . ?
Ag4 Ag2 Ag3 85.683(13) . . ?
Ag5 Ag2 Ag3 60.131(10) . . ?
Ag5 Ag2 Ag4 61.849(11) . . ?
S8 Ag2 Ag3 95.23(3) . . ?
S8 Ag2 Ag4 74.02(3) . . ?
S8 Ag2 Ag5 129.65(3) . . ?
S8 Ag2 S12 118.23(4) . . ?
S12 Ag2 Ag3 50.97(3) . . ?
S12 Ag2 Ag4 134.20(3) . . ?
S12 Ag2 Ag5 81.44(3) . . ?
N7 Ag2 Ag3 140.58(10) . . ?
N7 Ag2 Ag4 90.07(10) . . ?
N7 Ag2 Ag5 83.43(10) . . ?
N7 Ag2 S8 121.15(10) . . ?
N7 Ag2 S12 113.19(10) . . ?
Ag1 Ag3 Ag2 97.540(13) . . ?
Ag1 Ag3 Ag5 67.164(11) . . ?
Ag1 Ag3 Ag6 59.184(11) . . ?
Ag5 Ag3 Ag2 57.373(10) . . ?
Ag5 Ag3 Ag6 93.013(12) . . ?
Ag6 Ag3 Ag2 68.006(11) . . ?
S10 Ag3 Ag1 79.32(3) . . ?
S10 Ag3 Ag2 110.89(3) . . ?
S10 Ag3 Ag5 141.04(3) . . ?
S10 Ag3 Ag6 51.41(3) . . ?
S10 Ag3 S12 124.25(4) . . ?
S12 Ag3 Ag1 144.56(3) . . ?
S12 Ag3 Ag2 51.53(3) . . ?
S12 Ag3 Ag5 79.97(3) . . ?
S12 Ag3 Ag6 112.00(3) . . ?
N18 Ag3 Ag1 85.78(10) . . ?
N18 Ag3 Ag2 133.41(10) . . ?
N18 Ag3 Ag5 82.37(10) . . ?
N18 Ag3 Ag6 143.14(10) . . ?
N18 Ag3 S10 115.35(11) . . ?
N18 Ag3 S12 103.20(10) . . ?
Ag2 Ag4 Ag1 92.851(13) . . ?
Ag2 Ag4 Ag5 58.531(11) . . ?
Ag5 Ag4 Ag1 62.786(11) . . ?
Ag6 Ag4 Ag1 56.370(10) . . ?
Ag6 Ag4 Ag2 70.835(12) . . ?
Ag6 Ag4 Ag5 94.644(13) . . ?
S9 Ag4 Ag1 48.56(3) . . ?
S9 Ag4 Ag2 139.70(3) . . ?
S9 Ag4 Ag5 102.33(3) . . ?
S9 Ag4 Ag6 76.56(3) . . ?
S9 Ag4 S11 121.85(4) . . ?
S11 Ag4 Ag1 109.07(3) . . ?
S11 Ag4 Ag2 76.64(3) . . ?
S11 Ag4 Ag5 52.10(3) . . ?
S11 Ag4 Ag6 142.83(3) . . ?
N14 Ag4 Ag1 136.74(10) . . ?
N14 Ag4 Ag2 87.77(10) . . ?
N14 Ag4 Ag5 144.38(10) . . ?
N14 Ag4 Ag6 83.49(11) . . ?
N14 Ag4 S9 111.66(10) . . ?
N14 Ag4 S11 113.09(11) . . ?
Ag2 Ag5 Ag1 92.930(12) . . ?
Ag2 Ag5 Ag3 62.497(11) . . ?
Ag2 Ag5 Ag4 59.621(10) . . ?
Ag3 Ag5 Ag1 54.742(10) . . ?
Ag3 Ag5 Ag4 85.772(12) . . ?
Ag4 Ag5 Ag1 61.888(10) . . ?
S7 Ag5 Ag1 48.25(3) . . ?
S7 Ag5 Ag2 135.78(3) . . ?
S7 Ag5 Ag3 75.94(3) . . ?
S7 Ag5 Ag4 105.04(3) . . ?
S7 Ag5 S11 128.71(4) . . ?
S11 Ag5 Ag1 108.25(3) . . ?
S11 Ag5 Ag2 77.28(3) . . ?
S11 Ag5 Ag3 133.21(3) . . ?
S11 Ag5 Ag4 52.09(3) . . ?
N6 Ag5 Ag1 132.42(10) . . ?
N6 Ag5 Ag2 81.84(10) . . ?
N6 Ag5 Ag3 81.98(10) . . ?
N6 Ag5 Ag4 140.84(10) . . ?
N6 Ag5 S7 107.72(10) . . ?
N6 Ag5 S11 116.37(10) . . ?
Ag1 Ag6 Ag3 57.852(10) . . ?
Ag1 Ag6 Ag4 66.765(12) . . ?
Ag4 Ag6 Ag3 86.336(13) . . ?
S8 Ag6 Ag1 133.00(3) . . ?
S8 Ag6 Ag3 95.86(3) . . ?
S8 Ag6 Ag4 73.95(3) . . ?
S10 Ag6 Ag1 78.28(3) . . ?
S10 Ag6 Ag3 51.01(3) . . ?
S10 Ag6 Ag4 135.51(3) . . ?
S10 Ag6 S8 117.01(4) . . ?
N5 Ag6 Ag1 85.15(10) . . ?
N5 Ag6 Ag3 142.41(10) . . ?
N5 Ag6 Ag4 84.59(10) . . ?
N5 Ag6 S8 116.29(10) . . ?
N5 Ag6 S10 119.92(10) . . ?
Ag1 S7 Ag5 83.46(3) . . ?
C7 S7 Ag1 105.97(16) . . ?
C7 S7 Ag5 102.72(15) . . ?
Ag2 S8 Ag6 88.54(4) . . ?
C4 S8 Ag2 108.74(16) . . ?
C4 S8 Ag6 102.93(15) . . ?
Ag1 S9 Ag4 82.70(3) . . ?
C5 S9 Ag1 104.85(15) . . ?
C5 S9 Ag4 104.86(15) . . ?
Ag3 S10 Ag6 77.58(3) . . ?
C1 S10 Ag3 106.15(15) . . ?
C1 S10 Ag6 104.23(15) . . ?
Ag4 S11 Ag5 75.82(3) . . ?
C2 S11 Ag4 109.52(15) . . ?
C2 S11 Ag5 104.73(15) . . ?
Ag3 S12 Ag2 77.50(3) . . ?
C3 S12 Ag2 104.02(15) . . ?
C3 S12 Ag3 102.23(15) . . ?
N23 C1 S10 124.9(4) . . ?
N23 C1 O5 126.0(4) . . ?
O5 C1 S10 109.1(3) . . ?
O3 C2 S11 109.2(3) . . ?
N7 C2 S11 124.4(4) . . ?
N7 C2 O3 126.4(4) . . ?
N14 C4 S8 123.0(3) . . ?
N14 C4 O11 126.8(4) . . ?
O11 C4 S8 110.1(3) . . ?
O10 C7 S7 109.4(3) . . ?
N18 C7 S7 123.6(4) . . ?
N18 C7 O10 127.0(4) . . ?
C4 N14 Ag4 117.0(3) . . ?
C4 N14 C36 120.9(4) . . ?
C36 N14 Ag4 122.0(3) . . ?
C1 N23 Ag1 119.1(3) . . ?
C1 N23 C0AA 120.5(4) . . ?
C0AA N23 Ag1 119.9(3) . . ?
C5 N5 Ag6 119.6(3) . . ?
C5 N5 C16 120.8(4) . . ?
C16 N5 Ag6 119.6(3) . . ?
C4 O11 C37 115.6(4) . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C36 C33 H33A 109.5 . . ?
C36 C33 H33B 109.5 . . ?
C36 C33 H33C 109.5 . . ?
H35A C35 H35B 108.2 . . ?
C36 C35 H35A 109.8 . . ?
C36 C35 H35B 109.8 . . ?
C37 C35 H35A 109.8 . . ?
C37 C35 H35B 109.8 . . ?
C37 C35 C36 109.6(4) . . ?
N14 C36 C33 109.7(4) . . ?
N14 C36 C35 111.2(4) . . ?
N14 C36 H36 107.8 . . ?
C33 C36 H36 107.8 . . ?
C35 C36 C33 112.4(4) . . ?
C35 C36 H36 107.8 . . ?
O11 C37 C35 110.5(5) . . ?
O11 C37 H37A 109.6 . . ?
O11 C37 H37B 109.6 . . ?
C35 C37 H37A 109.6 . . ?
C35 C37 H37B 109.6 . . ?
H37A C37 H37B 108.1 . . ?
C2 O3 C8 116.6(4) . . ?
C1 O5 C2AA 115.9(4) . . ?
C2 N7 Ag2 118.5(3) . . ?
C2 N7 C10 120.1(4) . . ?
C10 N7 Ag2 121.2(3) . . ?
C7 O10 C7AA 116.0(4) . . ?
C7 N18 Ag3 120.5(3) . . ?
C7 N18 C9AA 121.0(4) . . ?
C9AA N18 Ag3 118.2(3) . . ?
O4 C3 S12 108.9(3) . . ?
N6 C3 S12 125.0(3) . . ?
N6 C3 O4 126.0(4) . . ?
C3 O4 C5AA 116.0(4) . . ?
N5 C5 S9 124.1(3) . . ?
N5 C5 O7 126.4(4) . . ?
O7 C5 S9 109.4(3) . . ?
C3 N6 Ag5 122.7(3) . . ?
C3 N6 C3AA 120.9(4) . . ?
C3AA N6 Ag5 116.2(3) . . ?
C5 O7 C17 115.8(4) . . ?
O3 C8 H8A 109.6 . . ?
O3 C8 H8B 109.6 . . ?
O3 C8 C12 110.4(4) . . ?
H8A C8 H8B 108.1 . . ?
C12 C8 H8A 109.6 . . ?
C12 C8 H8B 109.6 . . ?
N7 C10 H10 108.2 . . ?
N7 C10 C12 110.9(4) . . ?
N7 C10 C13 108.8(4) . . ?
C12 C10 H10 108.2 . . ?
C13 C10 H10 108.2 . . ?
C13 C10 C12 112.5(4) . . ?
C8 C12 C10 108.3(4) . . ?
C8 C12 H12A 110.0 . . ?
C8 C12 H12B 110.0 . . ?
C10 C12 H12A 110.0 . . ?
C10 C12 H12B 110.0 . . ?
H12A C12 H12B 108.4 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
H15A C15 H15B 108.3 . . ?
C16 C15 H15A 110.0 . . ?
C16 C15 H15B 110.0 . . ?
C17 C15 H15A 110.0 . . ?
C17 C15 H15B 110.0 . . ?
C17 C15 C16 108.6(4) . . ?
N5 C16 C15 111.9(4) . . ?
N5 C16 H16 107.6 . . ?
N5 C16 C22 109.8(4) . . ?
C15 C16 H16 107.6 . . ?
C22 C16 C15 112.1(4) . . ?
C22 C16 H16 107.6 . . ?
O7 C17 C15 111.0(4) . . ?
O7 C17 H17A 109.4 . . ?
O7 C17 H17B 109.4 . . ?
C15 C17 H17A 109.4 . . ?
C15 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
C16 C22 H22A 109.5 . . ?
C16 C22 H22B 109.5 . . ?
C16 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
H4AA C4AA H4AB 108.4 . . ?
C5AA C4AA H4AA 110.1 . . ?
C5AA C4AA H4AB 110.1 . . ?
C5AA C4AA C3AA 108.2(4) . . ?
C3AA C4AA H4AA 110.1 . . ?
C3AA C4AA H4AB 110.1 . . ?
O4 C5AA C4AA 110.2(4) . . ?
O4 C5AA H5AA 109.6 . . ?
O4 C5AA H5AB 109.6 . . ?
C4AA C5AA H5AA 109.6 . . ?
C4AA C5AA H5AB 109.6 . . ?
H5AA C5AA H5AB 108.1 . . ?
N18 C9AA H9AA 107.7 . . ?
N18 C9AA C6 109.8(4) . . ?
N18 C9AA C8AA 110.2(4) . . ?
C6 C9AA H9AA 107.7 . . ?
C8AA C9AA H9AA 107.7 . . ?
C8AA C9AA C6 113.6(4) . . ?
C9AA C6 H6A 109.5 . . ?
C9AA C6 H6B 109.5 . . ?
C9AA C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
H1AA C1AA H1AB 108.4 . . ?
C0AA C1AA H1AA 110.1 . . ?
C0AA C1AA H1AB 110.1 . . ?
C2AA C1AA H1AA 110.1 . . ?
C2AA C1AA H1AB 110.1 . . ?
C2AA C1AA C0AA 108.1(4) . . ?
N23 C0AA C1AA 110.8(4) . . ?
N23 C0AA H0AA 108.4 . . ?
N23 C0AA C11 108.7(4) . . ?
C1AA C0AA H0AA 108.4 . . ?
C11 C0AA C1AA 112.2(4) . . ?
C11 C0AA H0AA 108.4 . . ?
O5 C2AA C1AA 110.2(4) . . ?
O5 C2AA H2AA 109.6 . . ?
O5 C2AA H2AB 109.6 . . ?
C1AA C2AA H2AA 109.6 . . ?
C1AA C2AA H2AB 109.6 . . ?
H2AA C2AA H2AB 108.1 . . ?
C0AA C11 H11A 109.5 . . ?
C0AA C11 H11B 109.5 . . ?
C0AA C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N6 C3AA C4AA 110.5(4) . . ?
N6 C3AA H3AA 108.4 . . ?
N6 C3AA C6AA 109.4(4) . . ?
C4AA C3AA H3AA 108.4 . . ?
C6AA C3AA C4AA 111.6(4) . . ?
C6AA C3AA H3AA 108.4 . . ?
O10 C7AA H7AA 109.4 . . ?
O10 C7AA H7AB 109.4 . . ?
O10 C7AA C8AA 111.2(4) . . ?
H7AA C7AA H7AB 108.0 . . ?
C8AA C7AA H7AA 109.4 . . ?
C8AA C7AA H7AB 109.4 . . ?
C3AA C6AA H6AA 109.5 . . ?
C3AA C6AA H6AB 109.5 . . ?
C3AA C6AA H6AC 109.5 . . ?
H6AA C6AA H6AB 109.5 . . ?
H6AA C6AA H6AC 109.5 . . ?
H6AB C6AA H6AC 109.5 . . ?
C9AA C8AA H8AA 109.9 . . ?
C9AA C8AA H8AB 109.9 . . ?
C7AA C8AA C9AA 109.0(4) . . ?
C7AA C8AA H8AA 109.9 . . ?
C7AA C8AA H8AB 109.9 . . ?
H8AA C8AA H8AB 108.3 . . ?
Cl1 C0BA H0BA 109.2 . . ?
Cl1 C0BA H0BB 109.2 . . ?
Cl2 C0BA Cl1 111.9(3) . . ?
Cl2 C0BA H0BA 109.2 . . ?
Cl2 C0BA H0BB 109.2 . . ?
H0BA C0BA H0BB 107.9 . . ?

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
Ag1 S7 C7 O10 -141.6(3) . . . . ?
Ag1 S7 C7 N18 38.8(4) . . . . ?
Ag1 S9 C5 N5 -43.7(4) . . . . ?
Ag1 S9 C5 O7 136.3(3) . . . . ?
Ag1 N23 C0AA C1AA -150.6(3) . . . . ?
Ag1 N23 C0AA C11 -26.9(5) . . . . ?
Ag2 S8 C4 N14 -44.9(4) . . . . ?
Ag2 S8 C4 O11 135.7(3) . . . . ?
Ag2 S12 C3 O4 -147.8(3) . . . . ?
Ag2 S12 C3 N6 31.2(4) . . . . ?
Ag2 N7 C10 C12 -166.2(3) . . . . ?
Ag2 N7 C10 C13 -41.9(5) . . . . ?
Ag3 S10 C1 N23 45.5(4) . . . . ?
Ag3 S10 C1 O5 -135.6(3) . . . . ?
Ag3 S12 C3 O4 132.2(3) . . . . ?
Ag3 S12 C3 N6 -48.8(4) . . . . ?
Ag3 N18 C9AA C6 -81.4(4) . . . . ?
Ag3 N18 C9AA C8AA 152.7(3) . . . . ?
Ag4 S9 C5 N5 42.5(4) . . . . ?
Ag4 S9 C5 O7 -137.4(3) . . . . ?
Ag4 S11 C2 O3 135.7(3) . . . . ?
Ag4 S11 C2 N7 -46.0(4) . . . . ?
Ag4 N14 C36 C33 -74.2(5) . . . . ?
Ag4 N14 C36 C35 160.8(3) . . . . ?
Ag5 S7 C7 O10 131.6(3) . . . . ?
Ag5 S7 C7 N18 -47.9(4) . . . . ?
Ag5 S11 C2 O3 -144.4(3) . . . . ?
Ag5 S11 C2 N7 33.9(4) . . . . ?
Ag5 N6 C3AA C4AA -166.4(3) . . . . ?
Ag5 N6 C3AA C6AA -43.1(5) . . . . ?
Ag6 S8 C4 N14 48.0(4) . . . . ?
Ag6 S8 C4 O11 -131.4(3) . . . . ?
Ag6 S10 C1 N23 -35.4(4) . . . . ?
Ag6 S10 C1 O5 143.4(3) . . . . ?
Ag6 N5 C5 S9 1.3(5) . . . . ?
Ag6 N5 C5 O7 -178.7(3) . . . . ?
Ag6 N5 C16 C15 -161.8(3) . . . . ?
Ag6 N5 C16 C22 -36.7(5) . . . . ?
S7 C7 O10 C7AA 178.5(3) . . . . ?
S7 C7 N18 Ag3 1.7(6) . . . . ?
S7 C7 N18 C9AA 175.0(3) . . . . ?
S8 C4 N14 Ag4 1.2(5) . . . . ?
S8 C4 N14 C36 178.7(3) . . . . ?
S8 C4 O11 C37 168.9(4) . . . . ?
S9 C5 O7 C17 -170.2(3) . . . . ?
S10 C1 N23 Ag1 -10.5(5) . . . . ?
S10 C1 N23 C0AA 177.4(3) . . . . ?
S10 C1 O5 C2AA -167.1(3) . . . . ?
S11 C2 O3 C8 -178.3(3) . . . . ?
S11 C2 N7 Ag2 12.6(5) . . . . ?
S11 C2 N7 C10 -171.9(3) . . . . ?
S12 C3 O4 C5AA -173.5(3) . . . . ?
S12 C3 N6 Ag5 10.3(6) . . . . ?
S12 C3 N6 C3AA -176.2(4) . . . . ?
C1 N23 C0AA C1AA 21.4(6) . . . . ?
C1 N23 C0AA C11 145.1(5) . . . . ?
C1 O5 C2AA C1AA -41.5(6) . . . . ?
C2 O3 C8 C12 -36.8(6) . . . . ?
C2 N7 C10 C12 18.5(6) . . . . ?
C2 N7 C10 C13 142.8(5) . . . . ?
C4 N14 C36 C33 108.4(5) . . . . ?
C4 N14 C36 C35 -16.5(6) . . . . ?
C4 O11 C37 C35 40.5(7) . . . . ?
C7 O10 C7AA C8AA 33.3(6) . . . . ?
C7 N18 C9AA C6 105.1(5) . . . . ?
C7 N18 C9AA C8AA -20.8(6) . . . . ?
N14 C4 O11 C37 -10.5(8) . . . . ?
N23 C1 O5 C2AA 11.8(6) . . . . ?
N5 C5 O7 C17 9.9(7) . . . . ?
O11 C4 N14 Ag4 -179.4(4) . . . . ?
O11 C4 N14 C36 -2.0(8) . . . . ?
C36 C35 C37 O11 -57.5(6) . . . . ?
C37 C35 C36 N14 45.2(6) . . . . ?
C37 C35 C36 C33 -78.3(6) . . . . ?
O3 C2 N7 Ag2 -169.4(3) . . . . ?
O3 C2 N7 C10 6.0(7) . . . . ?
O3 C8 C12 C10 58.8(5) . . . . ?
O5 C1 N23 Ag1 170.8(3) . . . . ?
O5 C1 N23 C0AA -1.3(7) . . . . ?
N7 C2 O3 C8 3.5(7) . . . . ?
N7 C10 C12 C8 -49.4(5) . . . . ?
O10 C7 N18 Ag3 -177.8(3) . . . . ?
O10 C7 N18 C9AA -4.5(8) . . . . ?
O10 C7AA C8AA C9AA -56.5(5) . . . . ?
N18 C7 O10 C7AA -1.9(7) . . . . ?
N18 C9AA C8AA C7AA 49.6(5) . . . . ?
C3 O4 C5AA C4AA -39.4(6) . . . . ?
C3 N6 C3AA C4AA 19.8(6) . . . . ?
C3 N6 C3AA C6AA 143.0(5) . . . . ?
O4 C3 N6 Ag5 -170.9(3) . . . . ?
O4 C3 N6 C3AA 2.6(7) . . . . ?
C5 N5 C16 C15 17.9(6) . . . . ?
C5 N5 C16 C22 143.0(5) . . . . ?
C5 O7 C17 C15 -40.0(6) . . . . ?
N6 C3 O4 C5AA 7.5(7) . . . . ?
C13 C10 C12 C8 -171.5(4) . . . . ?
C16 N5 C5 S9 -178.3(3) . . . . ?
C16 N5 C5 O7 1.6(7) . . . . ?
C16 C15 C17 O7 57.3(5) . . . . ?
C17 C15 C16 N5 -45.9(5) . . . . ?
C17 C15 C16 C22 -169.8(4) . . . . ?
C5AA C4AA C3AA N6 -49.5(6) . . . . ?
C5AA C4AA C3AA C6AA -171.5(4) . . . . ?
C6 C9AA C8AA C7AA -74.2(5) . . . . ?
C0AA C1AA C2AA O5 60.0(6) . . . . ?
C2AA C1AA C0AA N23 -49.3(5) . . . . ?
C2AA C1AA C0AA C11 -170.9(5) . . . . ?
C3AA C4AA C5AA O4 59.8(5) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.82(2)
2 0.18(2)

####################################################################### 
# 
# 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_mo_230908f_0m
_database_code_depnum_ccdc_archive 'CCDC 2342766'
loop_
_audit_author_name
_audit_author_address
'CHEN HUI'
;Tongji University
Australia
;
_audit_update_record             
;
2024-03-24 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_audit_creation_date             2023-09-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H48 Ag6 N6 S12'
_chemical_formula_sum            'C30 H48 Ag6 N6 S12'
_chemical_formula_weight         1524.68
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.4401(4)
_cell_length_b                   16.7151(4)
_cell_length_c                   17.8546(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4607.96(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9938
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      2.91
_shelx_estimated_absorpt_T_max   0.748
_shelx_estimated_absorpt_T_min   0.578
_exptl_absorpt_coefficient_mu    3.076
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6513
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0727 before and 0.0600 after correction. The Ratio of minimum to maximum transmission is 0.8736. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.198
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       cube
_exptl_crystal_F_000             2976
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            58928
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.120
_diffrn_reflns_theta_min         2.587
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.815
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                9745
_reflns_number_total             10156
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.084
_refine_ls_abs_structure_details 
;
 Flack x determined using 4195 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.024(11)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         10156
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0224
_refine_ls_R_factor_gt           0.0203
_refine_ls_restrained_S_all      1.102
_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)+(0.0116P)²+1.9684P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0386
_refine_ls_wR_factor_ref         0.0393
_refine_special_details          ?
_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
2.a Ternary CH refined with riding coordinates:
 C00T(H00T), C00V(H00V), C00Y(H00Y), C01B(H01C), C015(H015), C018(H018)
2.b Secondary CH2 refined with riding coordinates:
 C00Z(H00G,H00H), C01A(H01A,H01B), C01C(H01D,H01E), C01D(H01F,H01G), C01E(H01H,
 H01I), C01F(H01J,H01K), C01H(H01O,H01P), C011(H01W,H01X), C012(H01Y,H),
 C014(H01Z,HA), C017(H0AA,HD), C019(H1AA,HE)
2.c Idealised Me refined as rotating group:
 C00U(H00A,H00B,H00C), C00X(H00D,H00E,H00F), C01G(H01L,H01M,H01N), C01I(H01Q,
 H01R,H01S), C010(H01T,H01U,H01V), C016(H01,HB,HC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.54565(2) 0.37052(2) 0.51547(2) 0.01528(8) Uani 1 1 d . . . . .
Ag02 Ag 0.56074(2) 0.51404(2) 0.37419(2) 0.01458(7) Uani 1 1 d . . . . .
Ag03 Ag 0.61291(2) 0.54307(2) 0.55467(2) 0.01627(8) Uani 1 1 d . . . . .
Ag04 Ag 0.39294(2) 0.45852(2) 0.44231(2) 0.01422(8) Uani 1 1 d . . . . .
Ag05 Ag 0.44261(2) 0.47501(2) 0.60882(2) 0.01543(8) Uani 1 1 d . . . . .
Ag06 Ag 0.46876(2) 0.62773(2) 0.46780(2) 0.01498(8) Uani 1 1 d . . . . .
C00P C 0.4000(3) 0.5740(3) 0.2858(2) 0.0132(10) Uani 1 1 d . . . . .
C00Q C 0.4799(3) 0.3283(3) 0.3395(3) 0.0150(10) Uani 1 1 d . . . . .
C00R C 0.6035(3) 0.4345(3) 0.7040(2) 0.0133(9) Uani 1 1 d . . . . .
C00S C 0.6500(3) 0.6964(3) 0.4411(2) 0.0134(9) Uani 1 1 d . . . . .
C00T C 0.4961(3) 0.4862(3) 0.7868(2) 0.0148(10) Uani 1 1 d . . . . .
H00T H 0.521149 0.540519 0.795662 0.018 Uiso 1 1 calc R . . . .
C00U C 0.4636(3) 0.8213(3) 0.4756(3) 0.0211(11) Uani 1 1 d . . . . .
H00A H 0.423041 0.792160 0.443325 0.032 Uiso 1 1 calc GR . . . .
H00B H 0.449405 0.878471 0.474707 0.032 Uiso 1 1 calc GR . . . .
H00C H 0.459015 0.801189 0.526958 0.032 Uiso 1 1 calc GR . . . .
C00V C 0.5130(3) 0.5440(3) 0.1963(2) 0.0142(9) Uani 1 1 d . . . . .
H00V H 0.537068 0.597544 0.182486 0.017 Uiso 1 1 calc R . . . .
C00W C 0.5093(3) 0.6596(3) 0.6576(3) 0.0161(10) Uani 1 1 d . . . . .
C00X C 0.5875(3) 0.4854(3) 0.1955(3) 0.0246(12) Uani 1 1 d . . . . .
H00D H 0.630085 0.500819 0.233524 0.037 Uiso 1 1 calc GR . . . .
H00E H 0.614900 0.485771 0.145986 0.037 Uiso 1 1 calc GR . . . .
H00F H 0.565778 0.431540 0.206416 0.037 Uiso 1 1 calc GR . . . .
C00Y C 0.5545(3) 0.8093(2) 0.4474(3) 0.0140(9) Uani 1 1 d . . . . .
H00Y H 0.556888 0.828968 0.394588 0.017 Uiso 1 1 calc R . . . .
C00Z C 0.7108(3) 0.8530(3) 0.4554(3) 0.0166(10) Uani 1 1 d . . . . .
H00G H 0.753332 0.879034 0.488985 0.020 Uiso 1 1 calc R . . . .
H00H H 0.708785 0.884130 0.408190 0.020 Uiso 1 1 calc R . . . .
C01A C 0.5628(4) 0.7577(3) 0.7742(3) 0.0252(12) Uani 1 1 d . . . . .
H01A H 0.554377 0.814167 0.789447 0.030 Uiso 1 1 calc R . . . .
H01B H 0.571962 0.725710 0.820206 0.030 Uiso 1 1 calc R . . . .
C01B C 0.3238(3) 0.3176(3) 0.3346(3) 0.0207(11) Uani 1 1 d . . . . .
H01C H 0.282537 0.316066 0.377740 0.025 Uiso 1 1 calc R . . . .
C01C C 0.4097(3) 0.1208(3) 0.5431(3) 0.0236(11) Uani 1 1 d . . . . .
H01D H 0.430872 0.067530 0.527297 0.028 Uiso 1 1 calc R . . . .
H01E H 0.410494 0.122400 0.598495 0.028 Uiso 1 1 calc R . . . .
C01D C 0.3758(4) 0.5879(4) 0.1326(3) 0.0360(15) Uani 1 1 d . . . . .
H01F H 0.334107 0.573695 0.092586 0.043 Uiso 1 1 calc R . . . .
H01G H 0.403154 0.639469 0.119077 0.043 Uiso 1 1 calc R . . . .
C01E C 0.3941(4) 0.2267(3) 0.2409(3) 0.0212(11) Uani 1 1 d . . . . .
H01H H 0.373022 0.260698 0.199269 0.025 Uiso 1 1 calc R . . . .
H01I H 0.396005 0.170714 0.222949 0.025 Uiso 1 1 calc R . . . .
C01F C 0.6421(4) 0.7518(3) 0.7253(3) 0.0242(12) Uani 1 1 d . . . . .
H01J H 0.693286 0.769073 0.754519 0.029 Uiso 1 1 calc R . . . .
H01K H 0.635614 0.788893 0.682471 0.029 Uiso 1 1 calc R . . . .
C01G C 0.7437(3) 0.6614(3) 0.6527(3) 0.0319(13) Uani 1 1 d . . . . .
H01L H 0.751196 0.606590 0.634328 0.048 Uiso 1 1 calc GR . . . .
H01M H 0.791752 0.675074 0.686225 0.048 Uiso 1 1 calc GR . . . .
H01N H 0.743020 0.698492 0.610218 0.048 Uiso 1 1 calc GR . . . .
C01H C 0.3323(4) 0.2328(3) 0.3059(3) 0.0246(12) Uani 1 1 d . . . . .
H01O H 0.353069 0.198001 0.347058 0.030 Uiso 1 1 calc R . . . .
H01P H 0.274655 0.213189 0.290179 0.030 Uiso 1 1 calc R . . . .
C01I C 0.2861(4) 0.3751(3) 0.2772(3) 0.0358(14) Uani 1 1 d . . . . .
H01Q H 0.275415 0.427036 0.300864 0.054 Uiso 1 1 calc GR . . . .
H01R H 0.231414 0.353452 0.257964 0.054 Uiso 1 1 calc GR . . . .
H01S H 0.327049 0.381722 0.235746 0.054 Uiso 1 1 calc GR . . . .
C010 C 0.5615(3) 0.1731(3) 0.5452(3) 0.0240(11) Uani 1 1 d . . . . .
H01T H 0.600350 0.214272 0.525263 0.036 Uiso 1 1 calc GR . . . .
H01U H 0.583279 0.120052 0.531219 0.036 Uiso 1 1 calc GR . . . .
H01V H 0.559232 0.177370 0.599936 0.036 Uiso 1 1 calc GR . . . .
C011 C 0.6236(3) 0.4319(3) 0.8601(3) 0.0204(11) Uani 1 1 d . . . . .
H01W H 0.639419 0.386734 0.893314 0.024 Uiso 1 1 calc R . . . .
H01X H 0.640889 0.482031 0.885513 0.024 Uiso 1 1 calc R . . . .
C012 C 0.6221(3) 0.8549(3) 0.4920(2) 0.0159(10) Uani 1 1 d . . . . .
H01Y H 0.626378 0.831383 0.542798 0.019 Uiso 1 1 calc R . . . .
H H 0.603260 0.911178 0.497503 0.019 Uiso 1 1 calc R . . . .
C013 C 0.3657(3) 0.2880(3) 0.5391(2) 0.0154(10) Uani 1 1 d . . . . .
C014 C 0.3172(4) 0.1310(3) 0.5164(3) 0.0319(13) Uani 1 1 d . . . . .
H01Z H 0.280952 0.087636 0.537408 0.038 Uiso 1 1 calc R . . . .
HA H 0.315433 0.126641 0.461101 0.038 Uiso 1 1 calc R . . . .
C015 C 0.4715(3) 0.1847(3) 0.5132(3) 0.0190(10) Uani 1 1 d . . . . .
H015 H 0.475372 0.177911 0.457629 0.023 Uiso 1 1 calc R . . . .
C016 C 0.3980(3) 0.4938(3) 0.7869(3) 0.0225(11) Uani 1 1 d . . . . .
H01 H 0.380106 0.531227 0.747605 0.034 Uiso 1 1 calc GR . . . .
HB H 0.378637 0.513847 0.835738 0.034 Uiso 1 1 calc GR . . . .
HC H 0.371928 0.441298 0.777538 0.034 Uiso 1 1 calc GR . . . .
C017 C 0.5262(3) 0.4321(3) 0.8492(3) 0.0173(10) Uani 1 1 d . . . . .
H0AA H 0.506813 0.376857 0.838394 0.021 Uiso 1 1 calc R . . . .
HD H 0.498316 0.449232 0.896458 0.021 Uiso 1 1 calc R . . . .
C018 C 0.6581(3) 0.6677(3) 0.6955(3) 0.0221(11) Uani 1 1 d . . . . .
H018 H 0.661644 0.630854 0.739496 0.026 Uiso 1 1 calc R . . . .
C019 C 0.4454(3) 0.5230(3) 0.1382(3) 0.0259(12) Uani 1 1 d . . . . .
H1AA H 0.417835 0.471453 0.151767 0.031 Uiso 1 1 calc R . . . .
HE H 0.473699 0.516263 0.088888 0.031 Uiso 1 1 calc R . . . .
N00J N 0.5257(2) 0.4582(2) 0.7128(2) 0.0131(8) Uani 1 1 d . . . . .
N00K N 0.5726(2) 0.7221(2) 0.4464(2) 0.0117(8) Uani 1 1 d . . . . .
N00L N 0.4780(2) 0.5509(2) 0.2736(2) 0.0116(8) Uani 1 1 d . . . . .
N00M N 0.4442(3) 0.2685(2) 0.5284(2) 0.0155(8) Uani 1 1 d . . . . .
N00N N 0.4058(3) 0.3509(2) 0.3631(2) 0.0149(8) Uani 1 1 d . . . . .
N00O N 0.5873(3) 0.6386(2) 0.6465(2) 0.0153(8) Uani 1 1 d . . . . .
S00A S 0.42243(7) 0.62388(7) 0.60187(6) 0.0152(2) Uani 1 1 d . . . . .
S00B S 0.57827(7) 0.36473(7) 0.37775(6) 0.0149(2) Uani 1 1 d . . . . .
S00C S 0.33209(8) 0.38792(7) 0.55467(7) 0.0165(2) Uani 1 1 d . . . . .
S00D S 0.74683(8) 0.75158(7) 0.43490(7) 0.0178(3) Uani 1 1 d . . . . .
S00E S 0.68376(8) 0.42292(8) 0.77286(7) 0.0184(3) Uani 1 1 d . . . . .
S00F S 0.31885(8) 0.59831(9) 0.22087(7) 0.0228(3) Uani 1 1 d . . . . .
S00G S 0.46595(9) 0.72263(8) 0.72716(7) 0.0226(3) Uani 1 1 d . . . . .
S00H S 0.50250(9) 0.25844(7) 0.26779(7) 0.0214(3) Uani 1 1 d . . . . .
S00I S 0.27291(9) 0.22712(8) 0.54446(9) 0.0315(3) Uani 1 1 d . . . . .
S007 S 0.35590(8) 0.58431(7) 0.37701(6) 0.0139(2) Uani 1 1 d . . . . .
S008 S 0.64880(8) 0.41200(7) 0.61530(6) 0.0142(2) Uani 1 1 d . . . . .
S009 S 0.67522(8) 0.59311(7) 0.43643(7) 0.0134(2) 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
Ag01 Ag03 3.1444(5) . ?
Ag01 Ag04 3.0707(5) . ?
Ag01 Ag05 2.8914(5) . ?
Ag01 N00M 2.327(4) . ?
Ag01 S00B 2.5117(12) . ?
Ag01 S008 2.4890(12) . ?
Ag02 Ag03 3.3568(5) . ?
Ag02 Ag04 3.0088(5) . ?
Ag02 Ag06 2.9020(5) . ?
Ag02 N00L 2.289(4) . ?
Ag02 S00B 2.5111(12) . ?
Ag02 S009 2.4711(12) . ?
Ag03 Ag05 3.0237(5) . ?
Ag03 Ag06 3.0597(5) . ?
Ag03 N00O 2.322(4) . ?
Ag03 S008 2.5056(12) . ?
Ag03 S009 2.4663(12) . ?
Ag04 Ag05 3.0825(5) . ?
Ag04 Ag06 3.0946(5) . ?
Ag04 N00N 2.298(4) . ?
Ag04 S00C 2.5099(12) . ?
Ag04 S007 2.4713(12) . ?
Ag05 N00J 2.274(4) . ?
Ag05 S00A 2.5108(12) . ?
Ag05 S00C 2.4426(12) . ?
Ag06 N00K 2.282(4) . ?
Ag06 S00A 2.4992(12) . ?
Ag06 S007 2.4882(12) . ?
C00P N00L 1.284(6) . ?
C00P S00F 1.754(5) . ?
C00P S007 1.774(5) . ?
C00Q N00N 1.276(6) . ?
C00Q S00B 1.773(5) . ?
C00Q S00H 1.767(5) . ?
C00R N00J 1.275(6) . ?
C00R S00E 1.756(5) . ?
C00R S008 1.772(5) . ?
C00S N00K 1.272(6) . ?
C00S S00D 1.761(5) . ?
C00S S009 1.772(5) . ?
C00T H00T 1.0000 . ?
C00T C016 1.520(6) . ?
C00T C017 1.507(6) . ?
C00T N00J 1.474(5) . ?
C00U H00A 0.9800 . ?
C00U H00B 0.9800 . ?
C00U H00C 0.9800 . ?
C00U C00Y 1.505(6) . ?
C00V H00V 1.0000 . ?
C00V C00X 1.511(7) . ?
C00V C019 1.513(6) . ?
C00V N00L 1.486(5) . ?
C00W N00O 1.270(6) . ?
C00W S00A 1.773(5) . ?
C00W S00G 1.761(5) . ?
C00X H00D 0.9800 . ?
C00X H00E 0.9800 . ?
C00X H00F 0.9800 . ?
C00Y H00Y 1.0000 . ?
C00Y C012 1.518(6) . ?
C00Y N00K 1.484(5) . ?
C00Z H00G 0.9900 . ?
C00Z H00H 0.9900 . ?
C00Z C012 1.518(6) . ?
C00Z S00D 1.822(5) . ?
C01A H01A 0.9900 . ?
C01A H01B 0.9900 . ?
C01A C01F 1.508(8) . ?
C01A S00G 1.812(5) . ?
C01B H01C 1.0000 . ?
C01B C01H 1.513(7) . ?
C01B C01I 1.520(7) . ?
C01B N00N 1.474(6) . ?
C01C H01D 0.9900 . ?
C01C H01E 0.9900 . ?
C01C C014 1.516(7) . ?
C01C C015 1.528(6) . ?
C01D H01F 0.9900 . ?
C01D H01G 0.9900 . ?
C01D C019 1.530(8) . ?
C01D S00F 1.814(5) . ?
C01E H01H 0.9900 . ?
C01E H01I 0.9900 . ?
C01E C01H 1.506(7) . ?
C01E S00H 1.821(5) . ?
C01F H01J 0.9900 . ?
C01F H01K 0.9900 . ?
C01F C018 1.523(7) . ?
C01G H01L 0.9800 . ?
C01G H01M 0.9800 . ?
C01G H01N 0.9800 . ?
C01G C018 1.530(7) . ?
C01H H01O 0.9900 . ?
C01H H01P 0.9900 . ?
C01I H01Q 0.9800 . ?
C01I H01R 0.9800 . ?
C01I H01S 0.9800 . ?
C010 H01T 0.9800 . ?
C010 H01U 0.9800 . ?
C010 H01V 0.9800 . ?
C010 C015 1.516(7) . ?
C011 H01W 0.9900 . ?
C011 H01X 0.9900 . ?
C011 C017 1.516(7) . ?
C011 S00E 1.820(5) . ?
C012 H01Y 0.9900 . ?
C012 H 0.9900 . ?
C013 N00M 1.269(6) . ?
C013 S00C 1.770(5) . ?
C013 S00I 1.760(5) . ?
C014 H01Z 0.9900 . ?
C014 HA 0.9900 . ?
C014 S00I 1.816(6) . ?
C015 H015 1.0000 . ?
C015 N00M 1.489(6) . ?
C016 H01 0.9800 . ?
C016 HB 0.9800 . ?
C016 HC 0.9800 . ?
C017 H0AA 0.9900 . ?
C017 HD 0.9900 . ?
C018 H018 1.0000 . ?
C018 N00O 1.482(6) . ?
C019 H1AA 0.9900 . ?
C019 HE 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag04 Ag01 Ag03 84.771(13) . . ?
Ag05 Ag01 Ag03 59.953(12) . . ?
Ag05 Ag01 Ag04 62.179(12) . . ?
N00M Ag01 Ag03 150.71(10) . . ?
N00M Ag01 Ag04 82.89(10) . . ?
N00M Ag01 Ag05 90.84(10) . . ?
N00M Ag01 S00B 101.79(9) . . ?
N00M Ag01 S008 124.32(10) . . ?
S00B Ag01 Ag03 100.78(3) . . ?
S00B Ag01 Ag04 75.88(3) . . ?
S00B Ag01 Ag05 134.26(3) . . ?
S008 Ag01 Ag03 51.22(3) . . ?
S008 Ag01 Ag04 131.49(3) . . ?
S008 Ag01 Ag05 76.76(3) . . ?
S008 Ag01 S00B 125.70(4) . . ?
Ag04 Ag02 Ag03 82.133(12) . . ?
Ag06 Ag02 Ag03 57.987(11) . . ?
Ag06 Ag02 Ag04 63.112(12) . . ?
N00L Ag02 Ag03 148.06(9) . . ?
N00L Ag02 Ag04 85.40(10) . . ?
N00L Ag02 Ag06 90.17(9) . . ?
N00L Ag02 S00B 110.33(10) . . ?
N00L Ag02 S009 127.47(10) . . ?
S00B Ag02 Ag03 95.36(3) . . ?
S00B Ag02 Ag04 77.06(3) . . ?
S00B Ag02 Ag06 133.55(3) . . ?
S009 Ag02 Ag03 47.11(3) . . ?
S009 Ag02 Ag04 126.81(3) . . ?
S009 Ag02 Ag06 74.98(3) . . ?
S009 Ag02 S00B 116.30(4) . . ?
Ag01 Ag03 Ag02 64.815(11) . . ?
Ag05 Ag03 Ag01 55.868(11) . . ?
Ag05 Ag03 Ag02 92.515(13) . . ?
Ag05 Ag03 Ag06 72.753(13) . . ?
Ag06 Ag03 Ag01 94.080(14) . . ?
Ag06 Ag03 Ag02 53.535(10) . . ?
N00O Ag03 Ag01 137.02(10) . . ?
N00O Ag03 Ag02 137.42(9) . . ?
N00O Ag03 Ag05 83.39(10) . . ?
N00O Ag03 Ag06 85.19(10) . . ?
N00O Ag03 S008 109.49(10) . . ?
N00O Ag03 S009 115.95(10) . . ?
S008 Ag03 Ag01 50.75(3) . . ?
S008 Ag03 Ag02 109.96(3) . . ?
S008 Ag03 Ag05 74.06(3) . . ?
S008 Ag03 Ag06 141.65(3) . . ?
S009 Ag03 Ag01 104.44(3) . . ?
S009 Ag03 Ag02 47.23(3) . . ?
S009 Ag03 Ag05 137.78(3) . . ?
S009 Ag03 Ag06 72.12(3) . . ?
S009 Ag03 S008 125.46(4) . . ?
Ag01 Ag04 Ag05 56.056(11) . . ?
Ag01 Ag04 Ag06 94.865(14) . . ?
Ag02 Ag04 Ag01 70.034(12) . . ?
Ag02 Ag04 Ag05 98.517(14) . . ?
Ag02 Ag04 Ag06 56.759(11) . . ?
Ag05 Ag04 Ag06 71.479(12) . . ?
N00N Ag04 Ag01 79.65(10) . . ?
N00N Ag04 Ag02 85.30(10) . . ?
N00N Ag04 Ag05 129.97(10) . . ?
N00N Ag04 Ag06 140.67(10) . . ?
N00N Ag04 S00C 99.00(10) . . ?
N00N Ag04 S007 113.31(10) . . ?
S00C Ag04 Ag01 73.87(3) . . ?
S00C Ag04 Ag02 142.23(3) . . ?
S00C Ag04 Ag05 50.53(3) . . ?
S00C Ag04 Ag06 116.99(3) . . ?
S007 Ag04 Ag01 141.81(3) . . ?
S007 Ag04 Ag02 75.30(3) . . ?
S007 Ag04 Ag05 115.88(3) . . ?
S007 Ag04 Ag06 51.64(3) . . ?
S007 Ag04 S00C 133.67(4) . . ?
Ag01 Ag05 Ag03 64.179(12) . . ?
Ag01 Ag05 Ag04 61.765(12) . . ?
Ag03 Ag05 Ag04 86.653(13) . . ?
N00J Ag05 Ag01 94.92(10) . . ?
N00J Ag05 Ag03 79.45(10) . . ?
N00J Ag05 Ag04 156.45(10) . . ?
N00J Ag05 S00A 103.45(10) . . ?
N00J Ag05 S00C 130.07(11) . . ?
S00A Ag05 Ag01 129.68(3) . . ?
S00A Ag05 Ag03 73.70(3) . . ?
S00A Ag05 Ag04 90.58(3) . . ?
S00C Ag05 Ag01 78.24(3) . . ?
S00C Ag05 Ag03 134.85(3) . . ?
S00C Ag05 Ag04 52.49(3) . . ?
S00C Ag05 S00A 118.97(4) . . ?
Ag02 Ag06 Ag03 68.478(12) . . ?
Ag02 Ag06 Ag04 60.129(12) . . ?
Ag03 Ag06 Ag04 85.814(13) . . ?
N00K Ag06 Ag02 90.72(9) . . ?
N00K Ag06 Ag03 83.88(9) . . ?
N00K Ag06 Ag04 150.83(9) . . ?
N00K Ag06 S00A 112.28(10) . . ?
N00K Ag06 S007 125.80(10) . . ?
S00A Ag06 Ag02 132.45(3) . . ?
S00A Ag06 Ag03 73.19(3) . . ?
S00A Ag06 Ag04 90.52(3) . . ?
S007 Ag06 Ag02 77.09(3) . . ?
S007 Ag06 Ag03 134.81(3) . . ?
S007 Ag06 Ag04 51.15(3) . . ?
S007 Ag06 S00A 114.58(4) . . ?
N00L C00P S00F 128.9(4) . . ?
N00L C00P S007 123.0(4) . . ?
S00F C00P S007 108.1(3) . . ?
N00N C00Q S00B 122.6(4) . . ?
N00N C00Q S00H 127.7(4) . . ?
S00H C00Q S00B 109.7(3) . . ?
N00J C00R S00E 127.8(4) . . ?
N00J C00R S008 123.2(4) . . ?
S00E C00R S008 108.9(3) . . ?
N00K C00S S00D 128.7(4) . . ?
N00K C00S S009 122.6(3) . . ?
S00D C00S S009 108.7(3) . . ?
C016 C00T H00T 108.0 . . ?
C017 C00T H00T 108.0 . . ?
C017 C00T C016 110.9(4) . . ?
N00J C00T H00T 108.0 . . ?
N00J C00T C016 109.7(4) . . ?
N00J C00T C017 112.1(4) . . ?
H00A C00U H00B 109.5 . . ?
H00A C00U H00C 109.5 . . ?
H00B C00U H00C 109.5 . . ?
C00Y C00U H00A 109.5 . . ?
C00Y C00U H00B 109.5 . . ?
C00Y C00U H00C 109.5 . . ?
C00X C00V H00V 107.2 . . ?
C00X C00V C019 111.6(4) . . ?
C019 C00V H00V 107.2 . . ?
N00L C00V H00V 107.2 . . ?
N00L C00V C00X 109.6(4) . . ?
N00L C00V C019 113.8(4) . . ?
N00O C00W S00A 122.5(4) . . ?
N00O C00W S00G 129.5(4) . . ?
S00G C00W S00A 108.0(3) . . ?
C00V C00X H00D 109.5 . . ?
C00V C00X H00E 109.5 . . ?
C00V C00X H00F 109.5 . . ?
H00D C00X H00E 109.5 . . ?
H00D C00X H00F 109.5 . . ?
H00E C00X H00F 109.5 . . ?
C00U C00Y H00Y 107.7 . . ?
C00U C00Y C012 113.5(4) . . ?
C012 C00Y H00Y 107.7 . . ?
N00K C00Y C00U 108.1(4) . . ?
N00K C00Y H00Y 107.7 . . ?
N00K C00Y C012 111.7(4) . . ?
H00G C00Z H00H 107.9 . . ?
C012 C00Z H00G 109.1 . . ?
C012 C00Z H00H 109.1 . . ?
C012 C00Z S00D 112.4(3) . . ?
S00D C00Z H00G 109.1 . . ?
S00D C00Z H00H 109.1 . . ?
H01A C01A H01B 107.9 . . ?
C01F C01A H01A 109.1 . . ?
C01F C01A H01B 109.1 . . ?
C01F C01A S00G 112.3(3) . . ?
S00G C01A H01A 109.1 . . ?
S00G C01A H01B 109.1 . . ?
C01H C01B H01C 107.0 . . ?
C01H C01B C01I 113.4(4) . . ?
C01I C01B H01C 107.0 . . ?
N00N C01B H01C 107.0 . . ?
N00N C01B C01H 113.3(4) . . ?
N00N C01B C01I 108.9(4) . . ?
H01D C01C H01E 107.7 . . ?
C014 C01C H01D 108.8 . . ?
C014 C01C H01E 108.8 . . ?
C014 C01C C015 113.6(4) . . ?
C015 C01C H01D 108.8 . . ?
C015 C01C H01E 108.8 . . ?
H01F C01D H01G 108.1 . . ?
C019 C01D H01F 109.5 . . ?
C019 C01D H01G 109.5 . . ?
C019 C01D S00F 110.5(4) . . ?
S00F C01D H01F 109.5 . . ?
S00F C01D H01G 109.5 . . ?
H01H C01E H01I 108.0 . . ?
C01H C01E H01H 109.4 . . ?
C01H C01E H01I 109.4 . . ?
C01H C01E S00H 111.0(3) . . ?
S00H C01E H01H 109.4 . . ?
S00H C01E H01I 109.4 . . ?
C01A C01F H01J 108.9 . . ?
C01A C01F H01K 108.9 . . ?
C01A C01F C018 113.3(4) . . ?
H01J C01F H01K 107.7 . . ?
C018 C01F H01J 108.9 . . ?
C018 C01F H01K 108.9 . . ?
H01L C01G H01M 109.5 . . ?
H01L C01G H01N 109.5 . . ?
H01M C01G H01N 109.5 . . ?
C018 C01G H01L 109.5 . . ?
C018 C01G H01M 109.5 . . ?
C018 C01G H01N 109.5 . . ?
C01B C01H H01O 109.1 . . ?
C01B C01H H01P 109.1 . . ?
C01E C01H C01B 112.3(4) . . ?
C01E C01H H01O 109.1 . . ?
C01E C01H H01P 109.1 . . ?
H01O C01H H01P 107.9 . . ?
C01B C01I H01Q 109.5 . . ?
C01B C01I H01R 109.5 . . ?
C01B C01I H01S 109.5 . . ?
H01Q C01I H01R 109.5 . . ?
H01Q C01I H01S 109.5 . . ?
H01R C01I H01S 109.5 . . ?
H01T C010 H01U 109.5 . . ?
H01T C010 H01V 109.5 . . ?
H01U C010 H01V 109.5 . . ?
C015 C010 H01T 109.5 . . ?
C015 C010 H01U 109.5 . . ?
C015 C010 H01V 109.5 . . ?
H01W C011 H01X 107.7 . . ?
C017 C011 H01W 108.9 . . ?
C017 C011 H01X 108.9 . . ?
C017 C011 S00E 113.3(3) . . ?
S00E C011 H01W 108.9 . . ?
S00E C011 H01X 108.9 . . ?
C00Y C012 C00Z 112.6(4) . . ?
C00Y C012 H01Y 109.1 . . ?
C00Y C012 H 109.1 . . ?
C00Z C012 H01Y 109.1 . . ?
C00Z C012 H 109.1 . . ?
H01Y C012 H 107.8 . . ?
N00M C013 S00C 123.1(4) . . ?
N00M C013 S00I 129.5(4) . . ?
S00I C013 S00C 107.4(3) . . ?
C01C C014 H01Z 109.3 . . ?
C01C C014 HA 109.3 . . ?
C01C C014 S00I 111.6(4) . . ?
H01Z C014 HA 108.0 . . ?
S00I C014 H01Z 109.3 . . ?
S00I C014 HA 109.3 . . ?
C01C C015 H015 107.8 . . ?
C010 C015 C01C 110.6(4) . . ?
C010 C015 H015 107.8 . . ?
N00M C015 C01C 114.6(4) . . ?
N00M C015 C010 108.1(4) . . ?
N00M C015 H015 107.8 . . ?
C00T C016 H01 109.5 . . ?
C00T C016 HB 109.5 . . ?
C00T C016 HC 109.5 . . ?
H01 C016 HB 109.5 . . ?
H01 C016 HC 109.5 . . ?
HB C016 HC 109.5 . . ?
C00T C017 C011 113.8(4) . . ?
C00T C017 H0AA 108.8 . . ?
C00T C017 HD 108.8 . . ?
C011 C017 H0AA 108.8 . . ?
C011 C017 HD 108.8 . . ?
H0AA C017 HD 107.7 . . ?
C01F C018 C01G 112.2(4) . . ?
C01F C018 H018 107.6 . . ?
C01G C018 H018 107.6 . . ?
N00O C018 C01F 113.0(4) . . ?
N00O C018 C01G 108.7(4) . . ?
N00O C018 H018 107.6 . . ?
C00V C019 C01D 111.4(4) . . ?
C00V C019 H1AA 109.3 . . ?
C00V C019 HE 109.3 . . ?
C01D C019 H1AA 109.3 . . ?
C01D C019 HE 109.3 . . ?
H1AA C019 HE 108.0 . . ?
C00R N00J Ag05 118.0(3) . . ?
C00R N00J C00T 120.1(4) . . ?
C00T N00J Ag05 121.2(3) . . ?
C00S N00K Ag06 116.0(3) . . ?
C00S N00K C00Y 120.6(4) . . ?
C00Y N00K Ag06 123.0(3) . . ?
C00P N00L Ag02 118.1(3) . . ?
C00P N00L C00V 121.4(4) . . ?
C00V N00L Ag02 120.3(3) . . ?
C013 N00M Ag01 118.0(3) . . ?
C013 N00M C015 122.7(4) . . ?
C015 N00M Ag01 118.7(3) . . ?
C00Q N00N Ag04 120.8(3) . . ?
C00Q N00N C01B 123.0(4) . . ?
C01B N00N Ag04 115.7(3) . . ?
C00W N00O Ag03 117.5(3) . . ?
C00W N00O C018 121.1(4) . . ?
C018 N00O Ag03 121.1(3) . . ?
Ag06 S00A Ag05 92.14(4) . . ?
C00W S00A Ag05 102.25(16) . . ?
C00W S00A Ag06 108.17(17) . . ?
Ag02 S00B Ag01 87.99(4) . . ?
C00Q S00B Ag01 102.64(16) . . ?
C00Q S00B Ag02 103.84(16) . . ?
Ag05 S00C Ag04 76.97(3) . . ?
C013 S00C Ag04 102.01(15) . . ?
C013 S00C Ag05 114.80(16) . . ?
C00S S00D C00Z 102.5(2) . . ?
C00R S00E C011 103.3(2) . . ?
C00P S00F C01D 101.9(2) . . ?
C00W S00G C01A 102.0(2) . . ?
C00Q S00H C01E 101.7(2) . . ?
C013 S00I C014 101.0(2) . . ?
Ag04 S007 Ag06 77.21(4) . . ?
C00P S007 Ag04 105.17(16) . . ?
C00P S007 Ag06 110.98(17) . . ?
Ag01 S008 Ag03 78.03(3) . . ?
C00R S008 Ag01 116.54(17) . . ?
C00R S008 Ag03 96.51(15) . . ?
Ag03 S009 Ag02 85.67(4) . . ?
C00S S009 Ag02 112.62(16) . . ?
C00S S009 Ag03 101.81(15) . . ?

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
C00U C00Y C012 C00Z -170.5(4) . . . . ?
C00U C00Y N00K Ag06 8.3(5) . . . . ?
C00U C00Y N00K C00S -164.3(4) . . . . ?
C00X C00V C019 C01D -173.0(4) . . . . ?
C00X C00V N00L Ag02 20.5(5) . . . . ?
C00X C00V N00L C00P -156.3(4) . . . . ?
C01A C01F C018 C01G -174.2(4) . . . . ?
C01A C01F C018 N00O 62.6(6) . . . . ?
C01C C014 S00I C013 34.2(4) . . . . ?
C01C C015 N00M Ag01 164.1(3) . . . . ?
C01C C015 N00M C013 -24.9(6) . . . . ?
C01F C01A S00G C00W 22.5(4) . . . . ?
C01F C018 N00O Ag03 153.8(3) . . . . ?
C01F C018 N00O C00W -32.5(7) . . . . ?
C01G C018 N00O Ag03 28.6(5) . . . . ?
C01G C018 N00O C00W -157.7(5) . . . . ?
C01H C01B N00N Ag04 -160.1(3) . . . . ?
C01H C01B N00N C00Q 27.6(7) . . . . ?
C01H C01E S00H C00Q -28.9(4) . . . . ?
C01I C01B C01H C01E 63.0(6) . . . . ?
C01I C01B N00N Ag04 72.8(4) . . . . ?
C01I C01B N00N C00Q -99.5(5) . . . . ?
C010 C015 N00M Ag01 40.3(4) . . . . ?
C010 C015 N00M C013 -148.8(4) . . . . ?
C012 C00Y N00K Ag06 134.0(3) . . . . ?
C012 C00Y N00K C00S -38.7(6) . . . . ?
C012 C00Z S00D C00S 16.7(4) . . . . ?
C014 C01C C015 C010 177.2(4) . . . . ?
C014 C01C C015 N00M 54.6(6) . . . . ?
C015 C01C C014 S00I -59.4(5) . . . . ?
C016 C00T C017 C011 -171.0(4) . . . . ?
C016 C00T N00J Ag05 22.2(5) . . . . ?
C016 C00T N00J C00R -167.8(4) . . . . ?
C017 C00T N00J Ag05 145.9(3) . . . . ?
C017 C00T N00J C00R -44.2(6) . . . . ?
C017 C011 S00E C00R 9.5(4) . . . . ?
C019 C00V N00L Ag02 146.3(3) . . . . ?
C019 C00V N00L C00P -30.6(6) . . . . ?
C019 C01D S00F C00P 31.5(5) . . . . ?
N00J C00R S00E C011 11.7(5) . . . . ?
N00J C00R S008 Ag01 -25.9(5) . . . . ?
N00J C00R S008 Ag03 53.9(4) . . . . ?
N00J C00T C017 C011 66.0(5) . . . . ?
N00K C00S S00D C00Z 10.0(5) . . . . ?
N00K C00S S009 Ag02 31.3(4) . . . . ?
N00K C00S S009 Ag03 -58.9(4) . . . . ?
N00K C00Y C012 C00Z 66.9(5) . . . . ?
N00L C00P S00F C01D -3.1(5) . . . . ?
N00L C00P S007 Ag04 -48.6(4) . . . . ?
N00L C00P S007 Ag06 33.3(4) . . . . ?
N00L C00V C019 C01D 62.3(5) . . . . ?
N00M C013 S00C Ag04 55.0(4) . . . . ?
N00M C013 S00C Ag05 -26.0(4) . . . . ?
N00M C013 S00I C014 -8.4(5) . . . . ?
N00N C00Q S00B Ag01 39.7(4) . . . . ?
N00N C00Q S00B Ag02 -51.3(4) . . . . ?
N00N C00Q S00H C01E -1.9(5) . . . . ?
N00N C01B C01H C01E -61.8(6) . . . . ?
N00O C00W S00A Ag05 52.8(4) . . . . ?
N00O C00W S00A Ag06 -43.6(5) . . . . ?
N00O C00W S00G C01A 5.1(5) . . . . ?
S00A C00W N00O Ag03 -4.3(6) . . . . ?
S00A C00W N00O C018 -178.2(3) . . . . ?
S00A C00W S00G C01A -176.7(2) . . . . ?
S00B C00Q N00N Ag04 11.7(6) . . . . ?
S00B C00Q N00N C01B -176.4(4) . . . . ?
S00B C00Q S00H C01E 177.4(2) . . . . ?
S00C C013 N00M Ag01 -7.1(5) . . . . ?
S00C C013 N00M C015 -178.2(3) . . . . ?
S00C C013 S00I C014 173.5(2) . . . . ?
S00D C00S N00K Ag06 -172.5(3) . . . . ?
S00D C00S N00K C00Y 0.6(7) . . . . ?
S00D C00S S009 Ag02 -147.39(17) . . . . ?
S00D C00S S009 Ag03 122.4(2) . . . . ?
S00D C00Z C012 C00Y -53.4(5) . . . . ?
S00E C00R N00J Ag05 175.4(3) . . . . ?
S00E C00R N00J C00T 5.1(7) . . . . ?
S00E C00R S008 Ag01 156.71(16) . . . . ?
S00E C00R S008 Ag03 -123.4(2) . . . . ?
S00E C011 C017 C00T -45.9(5) . . . . ?
S00F C00P N00L Ag02 -174.6(3) . . . . ?
S00F C00P N00L C00V 2.3(7) . . . . ?
S00F C00P S007 Ag04 130.27(19) . . . . ?
S00F C00P S007 Ag06 -147.87(17) . . . . ?
S00F C01D C019 C00V -61.8(5) . . . . ?
S00G C00W N00O Ag03 173.6(3) . . . . ?
S00G C00W N00O C018 -0.3(7) . . . . ?
S00G C00W S00A Ag05 -125.5(2) . . . . ?
S00G C00W S00A Ag06 138.12(19) . . . . ?
S00G C01A C01F C018 -55.8(5) . . . . ?
S00H C00Q N00N Ag04 -169.1(2) . . . . ?
S00H C00Q N00N C01B 2.8(7) . . . . ?
S00H C00Q S00B Ag01 -139.65(19) . . . . ?
S00H C00Q S00B Ag02 129.3(2) . . . . ?
S00H C01E C01H C01B 61.1(5) . . . . ?
S00I C013 N00M Ag01 175.0(3) . . . . ?
S00I C013 N00M C015 4.0(7) . . . . ?
S00I C013 S00C Ag04 -126.72(19) . . . . ?
S00I C013 S00C Ag05 152.23(16) . . . . ?
S007 C00P N00L Ag02 3.9(5) . . . . ?
S007 C00P N00L C00V -179.1(3) . . . . ?
S007 C00P S00F C01D 178.1(3) . . . . ?
S008 C00R N00J Ag05 -1.4(5) . . . . ?
S008 C00R N00J C00T -171.7(3) . . . . ?
S008 C00R S00E C011 -171.1(3) . . . . ?
S009 C00S N00K Ag06 9.0(5) . . . . ?
S009 C00S N00K C00Y -177.8(3) . . . . ?
S009 C00S S00D C00Z -171.4(2) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_ch012_0m_sx
_database_code_depnum_ccdc_archive 'CCDC 2342767'
loop_
_audit_author_name
_audit_author_address
'CHEN HUI'
;Tongji University
Australia
;
_audit_update_record             
;
2024-03-24 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_audit_creation_date             2023-09-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H48 Ag6 N6 S12'
_chemical_formula_sum            'C30 H48 Ag6 N6 S12'
_chemical_formula_weight         1524.68
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   15.4231(12)
_cell_length_b                   16.7198(13)
_cell_length_c                   17.9114(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4618.8(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9415
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      25.49
_cell_measurement_theta_min      2.50
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.069
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.4214
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1112 before and 0.0589 after correction. The Ratio of minimum to maximum transmission is 0.5655. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.193
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2976
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_unetI/netI     0.0181
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            58533
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.357
_diffrn_reflns_theta_min         1.666
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.811
_reflns_Friedel_fraction_full    0.994
_reflns_Friedel_fraction_max     0.993
_reflns_number_gt                9349
_reflns_number_total             9363
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.608
_refine_diff_density_min         -1.502
_refine_diff_density_rms         0.235
_refine_ls_abs_structure_details 
;
 Flack x determined using 4174 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.096(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         9363
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0295
_refine_ls_restrained_S_all      1.152
_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)+(0.0408P)²+23.9844P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0799
_refine_special_details          ?
_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
2.a Ternary CH refined with riding coordinates:
 C3AA(H3AA), C18(H18), C19(H19), C5(H5), C10(H10), C12(H12)
2.b Secondary CH2 refined with riding coordinates:
 C2AA(H2AA,H2AB), C20(H20A,H20B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B),
 C4(H4A,H4B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C11(H11A,H11B), C13(H13A,
 H13B), C14(H14A,H14B)
2.c Idealised Me refined as rotating group:
 C5AA(H5AA,H5AB,H5AC), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C6(H6A,H6B,
 H6C), C15(H15A,H15B,H15C), C9AA(H9AA,H9AB,H9AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   ?
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 0.10694(3) 0.95857(3) 0.94218(3) 0.00756(11) Uani 1 1 d . . . . .
Ag2 Ag -0.11425(4) 1.04209(3) 1.05437(3) 0.01121(12) Uani 1 1 d . . . . .
Ag3 Ag -0.06129(3) 1.01446(3) 0.87429(3) 0.00772(11) Uani 1 1 d . . . . .
Ag0A Ag -0.04565(3) 0.87028(3) 1.01543(3) 0.00926(12) Uani 1 1 d . . . . .
Ag1A Ag 0.03003(3) 1.12751(3) 0.96876(3) 0.00810(12) Uani 1 1 d . . . . .
Ag2A Ag 0.05699(4) 0.97513(3) 1.10845(3) 0.01010(12) Uani 1 1 d . . . . .
S1 S 0.14334(11) 1.08527(10) 0.87776(10) 0.0070(3) Uani 1 1 d . . . . .
S2 S -0.17643(11) 1.09288(10) 0.93652(10) 0.0072(3) Uani 1 1 d . . . . .
S3 S -0.14928(11) 0.91077(11) 1.11498(10) 0.0091(3) Uani 1 1 d . . . . .
S4 S -0.07793(11) 0.86512(11) 0.87793(10) 0.0095(3) Uani 1 1 d . . . . .
S5 S -0.18350(12) 0.92134(13) 1.27260(11) 0.0159(4) Uani 1 1 d . . . . .
S6 S 0.07591(12) 1.12385(11) 1.10245(10) 0.0107(3) Uani 1 1 d . . . . .
S7 S 0.16814(11) 0.88857(11) 1.05457(10) 0.0116(4) Uani 1 1 d . . . . .
S0AA S -0.24824(12) 1.25110(11) 0.93524(11) 0.0120(4) Uani 1 1 d . . . . .
S2AA S 0.18115(13) 1.09837(15) 0.72215(11) 0.0217(5) Uani 1 1 d . . . . .
S3AA S -0.00236(15) 0.75863(12) 0.76835(12) 0.0192(4) Uani 1 1 d . . . . .
S1AA S 0.03326(16) 1.22174(13) 1.22749(12) 0.0218(4) Uani 1 1 d . . . . .
S4AA S 0.22780(15) 0.72783(15) 1.04456(17) 0.0323(6) Uani 1 1 d . . . . .
N1 N -0.0269(4) 0.9573(4) 1.2118(3) 0.0073(11) Uani 1 1 d . . . . .
N2 N 0.0217(4) 1.0516(3) 0.7743(3) 0.0057(11) Uani 1 1 d . . . . .
N3 N 0.0944(4) 0.8509(4) 0.8624(4) 0.0111(13) Uani 1 1 d . . . . .
N4 N -0.0889(4) 1.1372(4) 1.1464(3) 0.0122(13) Uani 1 1 d . . . . .
N5 N 0.0566(4) 0.7688(4) 1.0281(3) 0.0112(12) Uani 1 1 d . . . . .
N6 N -0.0741(4) 1.2219(4) 0.9472(3) 0.0064(11) Uani 1 1 d . . . . .
C6AA C 0.0991(5) 1.0739(4) 0.7870(4) 0.0064(13) Uani 1 1 d . . . . .
C7AA C -0.1036(5) 0.9333(4) 1.2029(4) 0.0093(14) Uani 1 1 d . . . . .
C8AA C -0.1516(5) 1.1959(4) 0.9417(4) 0.0083(14) Uani 1 1 d . . . . .
C0AA C 0.1343(5) 0.7890(4) 1.0387(4) 0.0100(14) Uani 1 1 d . . . . .
C1AA C 0.0203(5) 0.8290(4) 0.8399(4) 0.0103(14) Uani 1 1 d . . . . .
C2AA C -0.1229(6) 0.9320(6) 1.3594(4) 0.0195(18) Uani 1 1 d . . . . .
H2AA H -0.139770 0.981670 1.383294 0.023 Uiso 1 1 calc R . . . .
H2AB H -0.138535 0.888533 1.392621 0.023 Uiso 1 1 calc R . . . .
C3AA C -0.0131(5) 1.0445(5) 0.6974(4) 0.0083(13) Uani 1 1 d . . . . .
H3AA H -0.036573 1.096888 0.683631 0.010 Uiso 1 1 calc R . . . .
C4AA C -0.0111(5) 1.1586(4) 1.1577(4) 0.0108(15) Uani 1 1 d . . . . .
C5AA C -0.0609(6) 0.6726(5) 1.0452(5) 0.0217(18) Uani 1 1 d . . . . .
H5AA H -0.057895 0.675820 1.098625 0.033 Uiso 1 1 calc GR . . . .
H5AB H -0.081984 0.620779 1.030873 0.033 Uiso 1 1 calc GR . . . .
H5AC H -0.099622 0.713013 1.026763 0.033 Uiso 1 1 calc GR . . . .
C16 C 0.0359(5) 1.3215(5) 0.9768(5) 0.0159(16) Uani 1 1 d . . . . .
H16A H 0.038846 1.306264 1.028375 0.024 Uiso 1 1 calc GR . . . .
H16B H 0.051620 1.376826 0.971799 0.024 Uiso 1 1 calc GR . . . .
H16C H 0.075269 1.289203 0.948230 0.024 Uiso 1 1 calc GR . . . .
C17 C 0.1022(5) 0.9923(6) 1.2868(5) 0.0204(18) Uani 1 1 d . . . . .
H17A H 0.127353 0.941051 1.276208 0.031 Uiso 1 1 calc GR . . . .
H17B H 0.121080 1.010172 1.335098 0.031 Uiso 1 1 calc GR . . . .
H17C H 0.120168 1.030122 1.249582 0.031 Uiso 1 1 calc GR . . . .
C18 C -0.0559(5) 1.3093(4) 0.9481(4) 0.0062(12) Uani 1 1 d . . . . .
H18 H -0.058261 1.328697 0.896510 0.007 Uiso 1 1 calc R . . . .
C19 C 0.0041(5) 0.9854(5) 1.2862(4) 0.0098(14) Uani 1 1 d . . . . .
H19 H -0.020014 1.038798 1.294853 0.012 Uiso 1 1 calc R . . . .
C20 C -0.1236(5) 1.3551(4) 0.9933(4) 0.0098(14) Uani 1 1 d . . . . .
H20A H -0.128190 1.331717 1.042719 0.012 Uiso 1 1 calc R . . . .
H20B H -0.105209 1.410222 0.998950 0.012 Uiso 1 1 calc R . . . .
C1 C -0.2121(5) 1.3529(4) 0.9554(4) 0.0126(15) Uani 1 1 d . . . . .
H1A H -0.209158 1.382850 0.909106 0.015 Uiso 1 1 calc R . . . .
H1B H -0.254317 1.378709 0.987429 0.015 Uiso 1 1 calc R . . . .
C2 C 0.0554(6) 1.0231(7) 0.6395(5) 0.027(2) Uani 1 1 d . . . . .
H2A H 0.082302 0.972671 0.653041 0.032 Uiso 1 1 calc R . . . .
H2B H 0.027810 1.016196 0.591236 0.032 Uiso 1 1 calc R . . . .
C3 C -0.0257(5) 0.9319(5) 1.3489(4) 0.0148(15) Uani 1 1 d . . . . .
H3A H 0.001587 0.949220 1.394966 0.018 Uiso 1 1 calc R . . . .
H3B H -0.006642 0.877654 1.338923 0.018 Uiso 1 1 calc R . . . .
C4 C 0.1059(7) 0.7269(5) 0.7414(4) 0.0220(19) Uani 1 1 d . . . . .
H4A H 0.103832 0.671911 0.724340 0.026 Uiso 1 1 calc R . . . .
H4B H 0.125947 0.759766 0.700207 0.026 Uiso 1 1 calc R . . . .
C5 C 0.0290(6) 0.6855(5) 1.0123(4) 0.0179(17) Uani 1 1 d . . . . .
H5 H 0.025160 0.678876 0.958048 0.021 Uiso 1 1 calc R . . . .
C6 C -0.0876(6) 0.9856(5) 0.6952(5) 0.0187(17) Uani 1 1 d . . . . .
H6A H -0.066333 0.932809 0.705749 0.028 Uiso 1 1 calc GR . . . .
H6B H -0.113657 0.986291 0.646525 0.028 Uiso 1 1 calc GR . . . .
H6C H -0.130043 1.000277 0.731912 0.028 Uiso 1 1 calc GR . . . .
C7 C 0.0907(7) 0.6210(5) 1.0431(5) 0.027(2) Uani 1 1 d . . . . .
H7A H 0.089986 0.623199 1.097221 0.033 Uiso 1 1 calc R . . . .
H7B H 0.069605 0.568773 1.028174 0.033 Uiso 1 1 calc R . . . .
C8 C 0.1690(7) 0.7335(6) 0.8050(6) 0.029(2) Uani 1 1 d . . . . .
H8A H 0.150273 0.698829 0.845320 0.035 Uiso 1 1 calc R . . . .
H8B H 0.225554 0.715266 0.788486 0.035 Uiso 1 1 calc R . . . .
C9 C 0.1832(7) 0.6310(6) 1.0160(7) 0.039(3) Uani 1 1 d . . . . .
H9A H 0.184656 0.626833 0.962037 0.047 Uiso 1 1 calc R . . . .
H9B H 0.218804 0.588353 1.036368 0.047 Uiso 1 1 calc R . . . .
C10 C 0.1765(5) 0.8171(5) 0.8334(5) 0.0180(17) Uani 1 1 d . . . . .
H10 H 0.216817 0.815336 0.875619 0.022 Uiso 1 1 calc R . . . .
C11 C -0.0638(7) 1.2564(5) 1.2749(5) 0.0242(19) Uani 1 1 d . . . . .
H11A H -0.072688 1.224947 1.319788 0.029 Uiso 1 1 calc R . . . .
H11B H -0.056005 1.311757 1.289785 0.029 Uiso 1 1 calc R . . . .
C12 C -0.1601(6) 1.1663(5) 1.1958(5) 0.0214(18) Uani 1 1 d . . . . .
H12 H -0.164416 1.129751 1.238387 0.026 Uiso 1 1 calc R . . . .
C13 C -0.1426(7) 1.2499(5) 1.2259(6) 0.025(2) Uani 1 1 d . . . . .
H13A H -0.135789 1.286105 1.184013 0.030 Uiso 1 1 calc R . . . .
H13B H -0.192827 1.267274 1.254114 0.030 Uiso 1 1 calc R . . . .
C14 C 0.1244(7) 1.0869(9) 0.6336(5) 0.039(3) Uani 1 1 d . . . . .
H14A H 0.097750 1.137301 0.619711 0.047 Uiso 1 1 calc R . . . .
H14B H 0.165459 1.072403 0.594861 0.047 Uiso 1 1 calc R . . . .
C15 C 0.2150(7) 0.8758(7) 0.7768(8) 0.043(3) Uani 1 1 d . . . . .
H15A H 0.171919 0.889345 0.740287 0.064 Uiso 1 1 calc GR . . . .
H15B H 0.263798 0.851427 0.752473 0.064 Uiso 1 1 calc GR . . . .
H15C H 0.233572 0.923373 0.802199 0.064 Uiso 1 1 calc GR . . . .
C9AA C -0.2451(6) 1.1614(7) 1.1518(6) 0.035(3) Uani 1 1 d . . . . .
H9AA H -0.242764 1.197423 1.110109 0.052 Uiso 1 1 calc GR . . . .
H9AB H -0.292625 1.175828 1.183667 0.052 Uiso 1 1 calc GR . . . .
H9AC H -0.253280 1.107730 1.133950 0.052 Uiso 1 1 calc GR . . . .


_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 Ag3 3.0140(8) . ?
Ag1 Ag0A 3.0723(8) . ?
Ag1 Ag1A 3.1003(8) . ?
Ag1 Ag2A 3.0886(8) . ?
Ag1 S1 2.4766(18) . ?
Ag1 S7 2.5126(19) . ?
Ag1 N3 2.306(6) . ?
Ag2 Ag3 3.3593(8) . ?
Ag2 Ag0A 3.1397(8) . ?
Ag2 Ag1A 3.0566(8) . ?
Ag2 Ag2A 3.0276(8) . ?
Ag2 S2 2.4692(18) . ?
Ag2 S3 2.5081(18) . ?
Ag2 N4 2.323(7) . ?
Ag3 Ag1A 2.9016(7) . ?
Ag3 S2 2.4729(18) . ?
Ag3 S4 2.5110(19) . ?
Ag3 N2 2.288(6) . ?
Ag0A Ag2A 2.8905(8) . ?
Ag0A S3 2.4884(19) . ?
Ag0A S4 2.5142(18) . ?
Ag0A N5 2.328(6) . ?
Ag1A S1 2.4920(18) . ?
Ag1A S6 2.4977(18) . ?
Ag1A N6 2.284(6) . ?
Ag2A S6 2.506(2) . ?
Ag2A S7 2.4424(19) . ?
Ag2A N1 2.279(6) . ?
S1 C6AA 1.773(7) . ?
S2 C8AA 1.768(8) . ?
S3 C7AA 1.766(8) . ?
S4 C1AA 1.768(8) . ?
S5 C7AA 1.765(8) . ?
S5 C2AA 1.823(8) . ?
S6 C4AA 1.766(8) . ?
S7 C0AA 1.769(8) . ?
S0AA C8AA 1.757(7) . ?
S0AA C1 1.827(8) . ?
S2AA C6AA 1.767(7) . ?
S2AA C14 1.823(9) . ?
S3AA C1AA 1.774(8) . ?
S3AA C4 1.818(10) . ?
S1AA C4AA 1.773(8) . ?
S1AA C11 1.817(9) . ?
S4AA C0AA 1.771(7) . ?
S4AA C9 1.832(12) . ?
N1 C7AA 1.259(10) . ?
N1 C19 1.491(9) . ?
N2 C6AA 1.270(10) . ?
N2 C3AA 1.483(9) . ?
N3 C1AA 1.266(10) . ?
N3 C10 1.480(10) . ?
N4 C4AA 1.269(11) . ?
N4 C12 1.491(10) . ?
N5 C0AA 1.258(11) . ?
N5 C5 1.483(10) . ?
N6 C8AA 1.275(10) . ?
N6 C18 1.488(9) . ?
C2AA C3 1.511(12) . ?
C3AA C2 1.523(10) . ?
C3AA C6 1.513(10) . ?
C5AA C5 1.522(12) . ?
C16 C18 1.520(10) . ?
C17 C19 1.517(10) . ?
C18 C20 1.527(9) . ?
C19 C3 1.508(10) . ?
C20 C1 1.524(10) . ?
C2 C14 1.510(14) . ?
C4 C8 1.502(14) . ?
C5 C7 1.540(12) . ?
C7 C9 1.517(14) . ?
C8 C10 1.493(13) . ?
C10 C15 1.531(14) . ?
C11 C13 1.503(14) . ?
C12 C13 1.522(13) . ?
C12 C9AA 1.533(14) . ?

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
Ag3 Ag1 Ag0A 70.234(19) . . ?
Ag3 Ag1 Ag1A 56.641(16) . . ?
Ag3 Ag1 Ag2A 98.42(2) . . ?
Ag0A Ag1 Ag1A 94.53(2) . . ?
Ag0A Ag1 Ag2A 55.959(17) . . ?
Ag2A Ag1 Ag1A 71.021(18) . . ?
S1 Ag1 Ag3 75.05(4) . . ?
S1 Ag1 Ag0A 141.59(5) . . ?
S1 Ag1 Ag1A 51.61(4) . . ?
S1 Ag1 Ag2A 115.41(4) . . ?
S1 Ag1 S7 133.36(6) . . ?
S7 Ag1 Ag3 142.28(5) . . ?
S7 Ag1 Ag0A 73.85(5) . . ?
S7 Ag1 Ag1A 116.43(5) . . ?
S7 Ag1 Ag2A 50.43(4) . . ?
N3 Ag1 Ag3 85.41(16) . . ?
N3 Ag1 Ag0A 79.95(16) . . ?
N3 Ag1 Ag1A 140.74(16) . . ?
N3 Ag1 Ag2A 130.27(16) . . ?
N3 Ag1 S1 113.45(17) . . ?
N3 Ag1 S7 99.45(17) . . ?
Ag0A Ag2 Ag3 65.098(17) . . ?
Ag1A Ag2 Ag3 53.525(16) . . ?
Ag1A Ag2 Ag0A 94.05(2) . . ?
Ag2A Ag2 Ag3 92.54(2) . . ?
Ag2A Ag2 Ag0A 55.862(17) . . ?
Ag2A Ag2 Ag1A 72.43(2) . . ?
S2 Ag2 Ag3 47.22(4) . . ?
S2 Ag2 Ag0A 104.81(5) . . ?
S2 Ag2 Ag1A 72.13(4) . . ?
S2 Ag2 Ag2A 137.69(5) . . ?
S2 Ag2 S3 125.97(6) . . ?
S3 Ag2 Ag3 110.34(5) . . ?
S3 Ag2 Ag0A 50.79(4) . . ?
S3 Ag2 Ag1A 141.53(5) . . ?
S3 Ag2 Ag2A 74.08(4) . . ?
N4 Ag2 Ag3 137.26(16) . . ?
N4 Ag2 Ag0A 136.64(16) . . ?
N4 Ag2 Ag1A 85.05(16) . . ?
N4 Ag2 Ag2A 83.07(16) . . ?
N4 Ag2 S2 115.88(16) . . ?
N4 Ag2 S3 109.16(16) . . ?
Ag1 Ag3 Ag2 82.216(18) . . ?
Ag1A Ag3 Ag1 63.180(18) . . ?
Ag1A Ag3 Ag2 57.893(17) . . ?
S2 Ag3 Ag1 126.92(5) . . ?
S2 Ag3 Ag2 47.13(4) . . ?
S2 Ag3 Ag1A 74.95(4) . . ?
S2 Ag3 S4 116.24(6) . . ?
S4 Ag3 Ag1 76.66(4) . . ?
S4 Ag3 Ag2 94.99(4) . . ?
S4 Ag3 Ag1A 133.02(5) . . ?
N2 Ag3 Ag1 85.31(15) . . ?
N2 Ag3 Ag2 148.27(15) . . ?
N2 Ag3 Ag1A 90.46(15) . . ?
N2 Ag3 S2 127.65(15) . . ?
N2 Ag3 S4 110.34(15) . . ?
Ag1 Ag0A Ag2 85.03(2) . . ?
Ag2A Ag0A Ag1 62.306(18) . . ?
Ag2A Ag0A Ag2 60.107(18) . . ?
S3 Ag0A Ag1 131.86(5) . . ?
S3 Ag0A Ag2 51.35(4) . . ?
S3 Ag0A Ag2A 76.92(4) . . ?
S3 Ag0A S4 125.74(6) . . ?
S4 Ag0A Ag1 75.51(4) . . ?
S4 Ag0A Ag2 100.51(5) . . ?
S4 Ag0A Ag2A 133.94(5) . . ?
N5 Ag0A Ag1 82.68(16) . . ?
N5 Ag0A Ag2 150.89(16) . . ?
N5 Ag0A Ag2A 90.86(17) . . ?
N5 Ag0A S3 124.33(16) . . ?
N5 Ag0A S4 101.79(16) . . ?
Ag2 Ag1A Ag1 85.98(2) . . ?
Ag3 Ag1A Ag1 60.179(18) . . ?
Ag3 Ag1A Ag2 68.582(19) . . ?
S1 Ag1A Ag1 51.17(4) . . ?
S1 Ag1A Ag2 134.94(5) . . ?
S1 Ag1A Ag3 76.96(4) . . ?
S1 Ag1A S6 114.93(6) . . ?
S6 Ag1A Ag1 90.95(5) . . ?
S6 Ag1A Ag2 73.38(5) . . ?
S6 Ag1A Ag3 132.90(5) . . ?
N6 Ag1A Ag1 150.74(15) . . ?
N6 Ag1A Ag2 84.00(16) . . ?
N6 Ag1A Ag3 90.59(15) . . ?
N6 Ag1A S1 125.34(15) . . ?
N6 Ag1A S6 112.21(15) . . ?
Ag2 Ag2A Ag1 86.69(2) . . ?
Ag0A Ag2A Ag1 61.735(18) . . ?
Ag0A Ag2A Ag2 64.032(19) . . ?
S6 Ag2A Ag1 91.06(4) . . ?
S6 Ag2A Ag2 73.80(4) . . ?
S6 Ag2A Ag0A 129.86(5) . . ?
S7 Ag2A Ag1 52.46(4) . . ?
S7 Ag2A Ag2 134.83(5) . . ?
S7 Ag2A Ag0A 78.30(5) . . ?
S7 Ag2A S6 119.30(7) . . ?
N1 Ag2A Ag1 155.98(16) . . ?
N1 Ag2A Ag2 79.23(15) . . ?
N1 Ag2A Ag0A 94.47(16) . . ?
N1 Ag2A S6 103.36(17) . . ?
N1 Ag2A S7 129.94(16) . . ?
Ag1 S1 Ag1A 77.21(5) . . ?
C6AA S1 Ag1 104.3(2) . . ?
C6AA S1 Ag1A 111.1(2) . . ?
Ag2 S2 Ag3 85.65(6) . . ?
C8AA S2 Ag2 101.9(2) . . ?
C8AA S2 Ag3 112.6(2) . . ?
Ag0A S3 Ag2 77.86(5) . . ?
C7AA S3 Ag2 96.5(2) . . ?
C7AA S3 Ag0A 116.2(3) . . ?
Ag3 S4 Ag0A 88.34(6) . . ?
C1AA S4 Ag3 104.0(2) . . ?
C1AA S4 Ag0A 102.7(3) . . ?
C7AA S5 C2AA 103.5(4) . . ?
Ag1A S6 Ag2A 91.85(6) . . ?
C4AA S6 Ag1A 108.3(3) . . ?
C4AA S6 Ag2A 102.3(2) . . ?
Ag2A S7 Ag1 77.11(5) . . ?
C0AA S7 Ag1 101.5(2) . . ?
C0AA S7 Ag2A 114.5(3) . . ?
C8AA S0AA C1 102.5(4) . . ?
C6AA S2AA C14 101.8(4) . . ?
C1AA S3AA C4 101.8(4) . . ?
C4AA S1AA C11 101.6(4) . . ?
C0AA S4AA C9 100.8(4) . . ?
C7AA N1 Ag2A 118.2(5) . . ?
C7AA N1 C19 121.0(6) . . ?
C19 N1 Ag2A 120.2(4) . . ?
C6AA N2 Ag3 117.7(5) . . ?
C6AA N2 C3AA 122.0(6) . . ?
C3AA N2 Ag3 120.2(4) . . ?
C1AA N3 Ag1 119.9(5) . . ?
C1AA N3 C10 123.3(6) . . ?
C10 N3 Ag1 116.4(5) . . ?
C4AA N4 Ag2 117.8(5) . . ?
C4AA N4 C12 120.6(7) . . ?
C12 N4 Ag2 121.4(5) . . ?
C0AA N5 Ag0A 117.6(5) . . ?
C0AA N5 C5 123.7(7) . . ?
C5 N5 Ag0A 118.1(5) . . ?
C8AA N6 Ag1A 115.9(5) . . ?
C8AA N6 C18 120.8(6) . . ?
C18 N6 Ag1A 122.9(4) . . ?
S2AA C6AA S1 107.6(4) . . ?
N2 C6AA S1 123.9(5) . . ?
N2 C6AA S2AA 128.5(5) . . ?
S5 C7AA S3 109.2(4) . . ?
N1 C7AA S3 123.8(6) . . ?
N1 C7AA S5 127.0(6) . . ?
S0AA C8AA S2 108.9(4) . . ?
N6 C8AA S2 122.6(5) . . ?
N6 C8AA S0AA 128.4(6) . . ?
S7 C0AA S4AA 107.0(4) . . ?
N5 C0AA S7 123.9(6) . . ?
N5 C0AA S4AA 129.0(6) . . ?
S4 C1AA S3AA 109.6(4) . . ?
N3 C1AA S4 123.5(6) . . ?
N3 C1AA S3AA 126.9(6) . . ?
C3 C2AA S5 113.8(6) . . ?
N2 C3AA C2 113.6(6) . . ?
N2 C3AA C6 110.6(6) . . ?
C6 C3AA C2 110.9(7) . . ?
S6 C4AA S1AA 107.3(4) . . ?
N4 C4AA S6 122.4(6) . . ?
N4 C4AA S1AA 130.3(6) . . ?
N6 C18 C16 108.2(6) . . ?
N6 C18 C20 111.6(6) . . ?
C16 C18 C20 113.0(6) . . ?
N1 C19 C17 110.5(6) . . ?
N1 C19 C3 112.4(6) . . ?
C3 C19 C17 110.1(7) . . ?
C1 C20 C18 111.3(6) . . ?
C20 C1 S0AA 112.6(5) . . ?
C14 C2 C3AA 111.7(8) . . ?
C19 C3 C2AA 113.2(7) . . ?
C8 C4 S3AA 111.9(6) . . ?
N5 C5 C5AA 108.8(7) . . ?
N5 C5 C7 114.3(7) . . ?
C5AA C5 C7 108.9(7) . . ?
C9 C7 C5 113.0(7) . . ?
C10 C8 C4 112.1(8) . . ?
C7 C9 S4AA 111.1(7) . . ?
N3 C10 C8 114.3(8) . . ?
N3 C10 C15 108.7(7) . . ?
C8 C10 C15 113.9(8) . . ?
C13 C11 S1AA 111.7(6) . . ?
N4 C12 C13 112.3(7) . . ?
N4 C12 C9AA 107.9(7) . . ?
C13 C12 C9AA 112.6(8) . . ?
C11 C13 C12 114.7(8) . . ?
C2 C14 S2AA 110.6(7) . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2342768'
loop_
_audit_author_name
_audit_author_address
'CHEN HUI'
;Tongji University
Australia
;
_audit_update_record             
;
2024-03-24 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_audit_creation_date             2024-01-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H60 Ag6 N6 O6 S6'
_chemical_formula_sum            'C60 H60 Ag6 N6 O6 S6'
_chemical_formula_weight         1800.72
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   29.2719(16)
_cell_length_b                   12.2808(8)
_cell_length_c                   19.1727(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6892.2(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9455
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      26.03
_cell_measurement_theta_min      2.41
_shelx_estimated_absorpt_T_max   0.832
_shelx_estimated_absorpt_T_min   0.832
_exptl_absorpt_coefficient_mu    1.903
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5097
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1019 before and 0.0838 after correction.
The Ratio of minimum to maximum transmission is 0.6838.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3552
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1251
_diffrn_reflns_av_unetI/netI     0.0816
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            82797
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.408
_diffrn_reflns_theta_min         1.969
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.822
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                11936
_reflns_number_total             14133
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         3.045
_refine_diff_density_min         -2.683
_refine_diff_density_rms         0.388
_refine_ls_abs_structure_details 
;
 Flack x determined using 3686 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.08(2)
_refine_ls_extinction_coef       0.0034(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.244
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     746
_refine_ls_number_reflns         14133
_refine_ls_number_restraints     841
_refine_ls_R_factor_all          0.1718
_refine_ls_R_factor_gt           0.1520
_refine_ls_restrained_S_all      1.211
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0318P)²+611.7715P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3351
_refine_ls_wR_factor_ref         0.3497
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
C29: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C78) \\sim Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.008
Uanis(C29) \\sim Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.008
Uanis(N23) \\sim Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.008
Uanis(C22) \\sim Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.008
Uanis(C8) \\sim Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.008
3. Rigid body (RIGU) restrains
 Ag01, Ag02, Ag03, Ag04, Ag05, Ag06, S1, S2, S3, S4, S5, S6, N1, O21, C29, C74,
  C101, C103, C102, C100, O1, O3, N4, C25, C30, C14, C7, C12, C22, C28, C50,
 C35, C18, C16, O17, N20, N23, N24, O29, O32, C43, C44, C, C49, C51, C52, C58,
 C60, C66, N74, C75, C77, C78, C31, C15, C23, C87, C94, C9, C11, C17, C3, C2,
 C34, C1, C27, C4, C26, C21, C61, C6, C86, C8, C10, C13, C42, C45, C19, C33,
 C20, C5, C32, C24, C36
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4.a Ternary CH refined with riding coordinates:
 C43(H43), C44(H44), C51(H51), C52(H52), C66(H66), C75(H75)
4.b Secondary CH2 refined with riding coordinates:
 C58(H58A,H58B), C60(H60A,H60B), C9(H9A,H9B), C11(H11A,H11B), C17(H17A,H17B),
 C3(H3A,H3B), C2(H2A,H2B), C34(H34A,H34B), C1(H1A,H1B), C6(H6A,H6B), C86(H86A,
 H86B), C19(H19A,H19B)
4.c Aromatic/amide H refined with riding coordinates:
 C74(H74), C101(H101), C103(H103), C102(H102), C25(H25), C30(H30), C14(H14),
 C7(H7), C12(H12), C22(H22), C28(H28), C50(H50), C35(H35), C78(H78), C31(H31),
 C15(H15), C23(H23), C87(H87), C94(H94), C27(H27), C4(H4), C26(H26), C61(H61),
 C8(H8), C10(H10), C13(H13), C42(H42), C20(H20), C32(H32), C36(H36)
4.d Fitted hexagon refined as free rotating group:
 C12(C22,C28,C50,C35,C18)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.19358(10) 0.0621(3) 0.23882(16) 0.0344(7) Uani 1 1 d . . . . .
Ag02 Ag 0.14412(11) 0.2695(3) 0.22732(15) 0.0336(8) Uani 1 1 d . . . . .
Ag03 Ag 0.16097(10) 0.1972(3) 0.37946(16) 0.0320(7) Uani 1 1 d . . . . .
Ag04 Ag 0.27625(11) 0.2097(3) 0.35147(16) 0.0367(8) Uani 1 1 d . . . . .
Ag05 Ag 0.25225(10) 0.2827(3) 0.21392(15) 0.0339(8) Uani 1 1 d . . . . .
Ag06 Ag 0.20683(12) 0.4090(3) 0.34755(16) 0.0376(8) Uani 1 1 d . . . . .
S1 S 0.1926(3) 0.2794(10) 0.1208(5) 0.035(2) Uani 1 1 d . . . . .
S2 S 0.2273(4) 0.1949(9) 0.4575(5) 0.030(2) Uani 1 1 d . . . . .
S3 S 0.2750(3) 0.0502(9) 0.2737(5) 0.032(2) Uani 1 1 d . . . . .
S4 S 0.2736(4) 0.4576(9) 0.2727(6) 0.037(2) Uani 1 1 d . . . . .
S5 S 0.1317(4) 0.0291(11) 0.3203(6) 0.040(3) Uani 1 1 d . . . . .
S6 S 0.1300(4) 0.4399(10) 0.2973(5) 0.039(2) Uani 1 1 d . . . . .
N1 N 0.0984(10) 0.299(3) 0.3940(16) 0.025(6) Uani 1 1 d . . . . .
O21 O 0.0615(10) 0.473(2) 0.3765(15) 0.038(6) Uani 1 1 d . . . . .
C29 C 0.0930(11) 0.390(3) 0.3654(16) 0.013(5) Uani 1 1 d . U . . .
C74 C 0.048(2) 0.171(6) 0.554(3) 0.075(17) Uani 1 1 d . . . . .
H74 H 0.024330 0.129598 0.533360 0.090 Uiso 1 1 calc R U . . .
C101 C 0.060(2) 0.162(7) 0.626(3) 0.09(2) Uani 1 1 d . . . . .
H101 H 0.040359 0.122695 0.656978 0.112 Uiso 1 1 calc R U . . .
C103 C 0.0992(19) 0.210(6) 0.652(3) 0.074(17) Uani 1 1 d . . . . .
H103 H 0.108896 0.193367 0.698007 0.089 Uiso 1 1 calc R U . . .
C102 C 0.1240(18) 0.279(5) 0.613(3) 0.061(14) Uani 1 1 d . . . . .
H102 H 0.149419 0.316343 0.632423 0.073 Uiso 1 1 calc R U . . .
C100 C 0.0764(14) 0.248(4) 0.514(2) 0.044(8) Uani 1 1 d . . . . .
O1 O 0.2419(11) 0.312(3) 0.5640(14) 0.041(6) Uani 1 1 d . . . . .
O3 O 0.3147(11) -0.019(3) 0.1611(16) 0.044(7) Uani 1 1 d . . . . .
N4 N 0.1924(12) 0.061(3) 0.1206(16) 0.034(6) Uani 1 1 d . . . . .
C25 C 0.1186(17) -0.131(5) 0.139(3) 0.057(11) Uani 1 1 d . . . . .
H25 H 0.099784 -0.089548 0.108822 0.068 Uiso 1 1 calc R U . . .
C30 C 0.099(2) -0.207(6) 0.191(3) 0.073(15) Uani 1 1 d . . . . .
H30 H 0.066708 -0.211878 0.196483 0.088 Uiso 1 1 calc R U . . .
C14 C 0.1709(17) -0.265(4) 0.225(3) 0.055(11) Uani 1 1 d . . . . .
H14 H 0.188531 -0.312647 0.253356 0.066 Uiso 1 1 calc R U . . .
C7 C 0.1924(16) -0.191(4) 0.178(2) 0.044(8) Uani 1 1 d . . . . .
H7 H 0.224771 -0.187889 0.174167 0.052 Uiso 1 1 calc R U . . .
C12 C 0.2210(8) 0.706(3) 0.4429(17) 0.053(10) Uani 1 1 d G . . . .
H12 H 0.252851 0.719082 0.447304 0.064 Uiso 1 1 calc R U . . .
C22 C 0.1928(11) 0.786(2) 0.4149(17) 0.058(8) Uani 1 1 d G U . . .
H22 H 0.205325 0.853476 0.400186 0.069 Uiso 1 1 calc R U . . .
C28 C 0.1461(11) 0.767(2) 0.4085(17) 0.056(10) Uani 1 1 d G . . . .
H28 H 0.126828 0.821618 0.389395 0.068 Uiso 1 1 calc R U . . .
C50 C 0.1277(8) 0.668(3) 0.4301(17) 0.053(9) Uani 1 1 d G . . . .
H50 H 0.095857 0.655365 0.425721 0.064 Uiso 1 1 calc R U . . .
C35 C 0.1560(11) 0.588(2) 0.4581(15) 0.047(8) Uani 1 1 d G . . . .
H35 H 0.143383 0.520969 0.472839 0.056 Uiso 1 1 calc R U . . .
C18 C 0.2026(10) 0.607(2) 0.4645(15) 0.044(6) Uani 1 1 d G . . . .
C16 C 0.1918(14) 0.154(3) 0.0845(19) 0.031(7) Uani 1 1 d . . . . .
O17 O 0.1912(13) 0.157(3) 0.0135(15) 0.053(8) Uani 1 1 d . . . . .
N20 N 0.0792(11) 0.160(3) 0.2420(17) 0.035(6) Uani 1 1 d . . . . .
N23 N 0.3145(12) 0.176(3) 0.1748(18) 0.033(5) Uani 1 1 d . U . . .
N24 N 0.2279(15) 0.417(3) 0.4610(18) 0.043(7) Uani 1 1 d . . . . .
O29 O 0.3445(13) 0.533(3) 0.333(2) 0.068(11) Uani 1 1 d . . . . .
O32 O 0.0454(10) 0.009(3) 0.2957(18) 0.051(8) Uani 1 1 d . . . . .
C43 C 0.1886(16) -0.049(4) 0.087(2) 0.042(6) Uani 1 1 d . . . . .
H43 H 0.220426 -0.077767 0.081444 0.051 Uiso 1 1 calc R U . . .
C44 C 0.2322(18) 0.520(4) 0.498(2) 0.046(7) Uani 1 1 d . . . . .
H44 H 0.264745 0.543563 0.495480 0.055 Uiso 1 1 calc R U . . .
C C 0.3061(14) 0.082(3) 0.197(2) 0.033(7) Uani 1 1 d . . . . .
C49 C 0.3172(17) 0.434(3) 0.325(3) 0.045(11) Uani 1 1 d . . . . .
C51 C 0.0367(14) 0.209(5) 0.215(3) 0.052(8) Uani 1 1 d . . . . .
H51 H 0.032102 0.278824 0.240740 0.062 Uiso 1 1 calc R U . . .
C52 C 0.3436(15) 0.192(4) 0.112(2) 0.042(6) Uani 1 1 d . . . . .
H52 H 0.323517 0.219348 0.073550 0.050 Uiso 1 1 calc R U . . .
C58 C 0.382(2) 0.516(5) 0.385(4) 0.074(12) Uani 1 1 d . . . . .
H58A H 0.403312 0.578751 0.382727 0.088 Uiso 1 1 calc R U . . .
H58B H 0.368651 0.514888 0.432529 0.088 Uiso 1 1 calc R U . . .
C60 C 0.0149(16) 0.332(4) 0.435(2) 0.036(7) Uani 1 1 d . . . . .
H60A H -0.001668 0.317982 0.390458 0.044 Uiso 1 1 calc R U . . .
H60B H -0.006137 0.318469 0.473960 0.044 Uiso 1 1 calc R U . . .
C66 C 0.0580(14) 0.255(4) 0.440(2) 0.035(6) Uani 1 1 d . . . . .
H66 H 0.049379 0.180773 0.423898 0.042 Uiso 1 1 calc R U . . .
N74 N 0.3305(13) 0.345(3) 0.352(2) 0.043(8) Uani 1 1 d . . . . .
C75 C 0.3732(19) 0.330(5) 0.392(4) 0.061(9) Uani 1 1 d . . . . .
H75 H 0.365707 0.338894 0.442667 0.073 Uiso 1 1 calc R U . . .
C77 C 0.2291(12) 0.327(3) 0.4958(19) 0.027(6) Uani 1 1 d . . . . .
C78 C 0.384(2) 0.161(5) 0.324(3) 0.059(9) Uani 1 1 d . U . . .
H78 H 0.363363 0.194239 0.291486 0.071 Uiso 1 1 calc R U . . .
C31 C 0.419(2) 0.163(5) 0.432(3) 0.064(13) Uani 1 1 d . . . . .
H31 H 0.422842 0.198529 0.475882 0.076 Uiso 1 1 calc R U . . .
C15 C 0.4394(17) 0.072(5) 0.421(3) 0.056(10) Uani 1 1 d . . . . .
H15 H 0.459997 0.044693 0.455559 0.067 Uiso 1 1 calc R U . . .
C23 C 0.4318(19) 0.013(5) 0.361(3) 0.064(11) Uani 1 1 d . . . . .
H23 H 0.444426 -0.057185 0.353340 0.076 Uiso 1 1 calc R U . . .
C87 C 0.4014(19) 0.071(5) 0.308(3) 0.062(12) Uani 1 1 d . . . . .
H87 H 0.395873 0.039329 0.263831 0.074 Uiso 1 1 calc R U . . .
C94 C 0.3671(15) 0.348(4) 0.169(2) 0.039(7) Uani 1 1 d . . . . .
H94 H 0.340307 0.339422 0.196770 0.046 Uiso 1 1 calc R U . . .
C9 C 0.1933(18) 0.042(5) -0.026(2) 0.054(8) Uani 1 1 d . . . . .
H9A H 0.179744 0.049595 -0.073000 0.065 Uiso 1 1 calc R U . . .
H9B H 0.225461 0.019089 -0.031148 0.065 Uiso 1 1 calc R U . . .
C11 C 0.2200(19) 0.506(4) 0.575(2) 0.049(9) Uani 1 1 d . . . . .
H11A H 0.226380 0.573821 0.600979 0.058 Uiso 1 1 calc R U . . .
H11B H 0.187178 0.488074 0.580167 0.058 Uiso 1 1 calc R U . . .
C17 C 0.2488(19) 0.415(4) 0.602(2) 0.050(9) Uani 1 1 d . . . . .
H17A H 0.281405 0.435861 0.599255 0.061 Uiso 1 1 calc R U . . .
H17B H 0.241502 0.402891 0.652222 0.061 Uiso 1 1 calc R U . . .
C3 C 0.3659(17) 0.092(4) 0.087(2) 0.045(7) Uani 1 1 d . . . . .
H3A H 0.377345 0.101570 0.039079 0.054 Uiso 1 1 calc R U . . .
H3B H 0.391822 0.072481 0.117988 0.054 Uiso 1 1 calc R U . . .
C2 C 0.3304(18) 0.011(4) 0.090(2) 0.046(8) Uani 1 1 d . . . . .
H2A H 0.341663 -0.055943 0.066742 0.056 Uiso 1 1 calc R U . . .
H2B H 0.303767 0.037390 0.063268 0.056 Uiso 1 1 calc R U . . .
C34 C 0.002(2) 0.049(9) 0.260(8) 0.18(4) Uani 1 1 d . . . . .
H34A H -0.005410 -0.006327 0.224466 0.218 Uiso 1 1 calc R U . . .
H34B H -0.022358 0.043603 0.296059 0.218 Uiso 1 1 calc R U . . .
C1 C 0.170(2) -0.033(5) 0.012(3) 0.062(9) Uani 1 1 d . . . . .
H1A H 0.170466 -0.103891 -0.012983 0.074 Uiso 1 1 calc R U . . .
H1B H 0.137151 -0.010420 0.015080 0.074 Uiso 1 1 calc R U . . .
C27 C 0.0689(18) 0.205(6) 0.024(3) 0.061(12) Uani 1 1 d . . . . .
H27 H 0.089767 0.170713 -0.007527 0.073 Uiso 1 1 calc R U . . .
C4 C 0.0377(19) 0.285(6) -0.001(3) 0.070(15) Uani 1 1 d . . . . .
H4 H 0.038906 0.306122 -0.049087 0.085 Uiso 1 1 calc R U . . .
C26 C 0.0074(16) 0.331(5) 0.039(3) 0.056(11) Uani 1 1 d . . . . .
H26 H -0.014424 0.380023 0.020724 0.067 Uiso 1 1 calc R U . . .
C21 C 0.0379(13) 0.236(5) 0.139(2) 0.047(8) Uani 1 1 d . . . . .
C61 C 0.0688(18) 0.176(6) 0.094(3) 0.066(13) Uani 1 1 d . . . . .
H61 H 0.087872 0.119520 0.111414 0.079 Uiso 1 1 calc R U . . .
C6 C 0.0317(16) 0.450(4) 0.436(2) 0.040(8) Uani 1 1 d . . . . .
H6A H 0.005191 0.500350 0.435396 0.048 Uiso 1 1 calc R U . . .
H6B H 0.048762 0.463463 0.480164 0.048 Uiso 1 1 calc R U . . .
C86 C -0.0036(18) 0.138(6) 0.232(4) 0.085(17) Uani 1 1 d . . . . .
H86A H -0.024289 0.181205 0.261824 0.102 Uiso 1 1 calc R U . . .
H86B H -0.020025 0.124672 0.187491 0.102 Uiso 1 1 calc R U . . .
C8 C 0.3990(18) 0.458(5) 0.179(3) 0.051(8) Uani 1 1 d . U . . .
H8 H 0.391793 0.518068 0.208510 0.061 Uiso 1 1 calc R U . . .
C10 C 0.4163(15) 0.281(5) 0.087(2) 0.049(9) Uani 1 1 d . . . . .
H10 H 0.421655 0.224844 0.054519 0.059 Uiso 1 1 calc R U . . .
C13 C 0.440(2) 0.448(6) 0.136(3) 0.067(14) Uani 1 1 d . . . . .
H13 H 0.461998 0.504700 0.139405 0.081 Uiso 1 1 calc R U . . .
C42 C 0.4495(17) 0.364(5) 0.091(3) 0.058(11) Uani 1 1 d . . . . .
H42 H 0.476797 0.361637 0.064621 0.070 Uiso 1 1 calc R U . . .
C45 C 0.3785(15) 0.274(4) 0.124(2) 0.042(8) Uani 1 1 d . . . . .
C19 C 0.4085(18) 0.414(4) 0.374(3) 0.059(10) Uani 1 1 d . . . . .
H19A H 0.435252 0.409425 0.405647 0.070 Uiso 1 1 calc R U . . .
H19B H 0.418870 0.406489 0.325190 0.070 Uiso 1 1 calc R U . . .
C33 C 0.0813(13) 0.074(4) 0.281(2) 0.035(7) Uani 1 1 d . . . . .
C20 C 0.1118(16) 0.297(5) 0.543(2) 0.057(12) Uani 1 1 d . . . . .
H20 H 0.129791 0.344775 0.515643 0.068 Uiso 1 1 calc R U . . .
C5 C 0.1647(15) -0.123(3) 0.137(2) 0.035(6) Uani 1 1 d . . . . .
C32 C 0.1255(15) -0.265(4) 0.229(2) 0.042(7) Uani 1 1 d . . . . .
H32 H 0.111664 -0.312858 0.261576 0.051 Uiso 1 1 calc R U . . .
C24 C 0.3919(19) 0.211(5) 0.382(3) 0.061(9) Uani 1 1 d . . . . .
C36 C 0.0075(13) 0.307(5) 0.110(2) 0.048(8) Uani 1 1 d . . . . .
H36 H -0.014443 0.341397 0.138689 0.057 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 Ag02 2.939(5) . ?
Ag01 Ag03 3.307(4) . ?
Ag01 Ag05 3.243(5) . ?
Ag01 S3 2.481(10) . ?
Ag01 S5 2.426(11) . ?
Ag01 N4 2.27(3) . ?
Ag02 Ag03 3.089(4) . ?
Ag02 Ag05 3.180(4) . ?
Ag02 S1 2.489(10) . ?
Ag02 S6 2.519(12) . ?
Ag02 N20 2.34(3) . ?
Ag03 Ag06 2.990(5) . ?
Ag03 S2 2.453(10) . ?
Ag03 S5 2.506(13) . ?
Ag03 N1 2.23(3) . ?
Ag04 Ag05 2.872(4) . ?
Ag04 Ag06 3.182(5) . ?
Ag04 S2 2.494(10) . ?
Ag04 S3 2.462(11) . ?
Ag04 N74 2.30(4) . ?
Ag05 Ag06 3.277(5) . ?
Ag05 S1 2.497(10) . ?
Ag05 S4 2.506(12) . ?
Ag05 N23 2.37(3) . ?
Ag06 S4 2.496(12) . ?
Ag06 S6 2.475(12) . ?
Ag06 N24 2.26(4) . ?
S1 C16 1.69(4) . ?
S2 C77 1.79(4) . ?
S3 C 1.78(4) . ?
S4 C49 1.65(4) . ?
S5 C33 1.74(4) . ?
S6 C29 1.80(3) . ?
N1 C29 1.26(4) . ?
N1 C66 1.57(5) . ?
O21 C29 1.39(4) . ?
O21 C6 1.47(5) . ?
C74 H74 0.9500 . ?
C74 C101 1.43(8) . ?
C74 C100 1.48(7) . ?
C101 H101 0.9500 . ?
C101 C103 1.38(9) . ?
C103 H103 0.9500 . ?
C103 C102 1.35(7) . ?
C102 H102 0.9500 . ?
C102 C20 1.40(7) . ?
C100 C66 1.51(6) . ?
C100 C20 1.32(7) . ?
O1 C77 1.37(5) . ?
O1 C17 1.47(6) . ?
O3 C 1.44(5) . ?
O3 C2 1.48(5) . ?
N4 C16 1.33(5) . ?
N4 C43 1.51(5) . ?
C25 H25 0.9500 . ?
C25 C30 1.48(9) . ?
C25 C5 1.35(6) . ?
C30 H30 0.9500 . ?
C30 C32 1.28(7) . ?
C14 H14 0.9500 . ?
C14 C7 1.43(7) . ?
C14 C32 1.33(6) . ?
C7 H7 0.9500 . ?
C7 C5 1.40(6) . ?
C12 H12 0.9500 . ?
C12 C22 1.3900 . ?
C12 C18 1.3900 . ?
C22 H22 0.9500 . ?
C22 C28 1.3900 . ?
C28 H28 0.9500 . ?
C28 C50 1.3900 . ?
C50 H50 0.9500 . ?
C50 C35 1.3900 . ?
C35 H35 0.9500 . ?
C35 C18 1.3900 . ?
C18 C44 1.53(6) . ?
C16 O17 1.36(5) . ?
O17 C9 1.59(6) . ?
N20 C51 1.47(6) . ?
N20 C33 1.30(6) . ?
N23 C 1.25(5) . ?
N23 C52 1.49(5) . ?
N24 C44 1.45(6) . ?
N24 C77 1.29(5) . ?
O29 C49 1.46(5) . ?
O29 C58 1.50(6) . ?
O32 C34 1.52(7) . ?
O32 C33 1.34(5) . ?
C43 H43 1.0000 . ?
C43 C1 1.55(6) . ?
C43 C5 1.50(7) . ?
C44 H44 1.0000 . ?
C44 C11 1.52(6) . ?
C49 N74 1.27(6) . ?
C51 H51 1.0000 . ?
C51 C21 1.50(6) . ?
C51 C86 1.50(7) . ?
C52 H52 1.0000 . ?
C52 C3 1.47(7) . ?
C52 C45 1.45(7) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 C19 1.49(8) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C66 1.58(5) . ?
C60 C6 1.53(7) . ?
C66 H66 1.0000 . ?
N74 C75 1.47(6) . ?
C75 H75 1.0000 . ?
C75 C19 1.50(8) . ?
C75 C24 1.56(8) . ?
C78 H78 0.9500 . ?
C78 C87 1.26(8) . ?
C78 C24 1.30(8) . ?
C31 H31 0.9500 . ?
C31 C15 1.29(8) . ?
C31 C24 1.38(7) . ?
C15 H15 0.9500 . ?
C15 C23 1.38(8) . ?
C23 H23 0.9500 . ?
C23 C87 1.53(8) . ?
C87 H87 0.9500 . ?
C94 H94 0.9500 . ?
C94 C8 1.65(7) . ?
C94 C45 1.30(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C1 1.37(8) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C17 1.50(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C2 1.45(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C86 1.23(10) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C27 H27 0.9500 . ?
C27 C4 1.43(8) . ?
C27 C61 1.39(7) . ?
C4 H4 0.9500 . ?
C4 C26 1.31(8) . ?
C26 H26 0.9500 . ?
C26 C36 1.38(7) . ?
C21 C61 1.45(7) . ?
C21 C36 1.37(7) . ?
C61 H61 0.9500 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C8 H8 0.9500 . ?
C8 C13 1.47(7) . ?
C10 H10 0.9500 . ?
C10 C42 1.41(7) . ?
C10 C45 1.32(6) . ?
C13 H13 0.9500 . ?
C13 C42 1.37(8) . ?
C42 H42 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20 0.9500 . ?
C32 H32 0.9500 . ?
C36 H36 0.9500 . ?

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
Ag02 Ag01 Ag03 58.93(10) . . ?
Ag02 Ag01 Ag05 61.68(11) . . ?
Ag05 Ag01 Ag03 81.59(11) . . ?
S3 Ag01 Ag02 123.0(3) . . ?
S3 Ag01 Ag03 95.0(3) . . ?
S3 Ag01 Ag05 65.2(3) . . ?
S5 Ag01 Ag02 79.9(3) . . ?
S5 Ag01 Ag03 48.9(3) . . ?
S5 Ag01 Ag05 129.0(3) . . ?
S5 Ag01 S3 122.3(4) . . ?
N4 Ag01 Ag02 85.5(8) . . ?
N4 Ag01 Ag03 144.4(8) . . ?
N4 Ag01 Ag05 82.2(10) . . ?
N4 Ag01 S3 106.5(9) . . ?
N4 Ag01 S5 129.2(10) . . ?
Ag01 Ag02 Ag03 66.49(11) . . ?
Ag01 Ag02 Ag05 63.87(11) . . ?
Ag03 Ag02 Ag05 86.10(11) . . ?
S1 Ag02 Ag01 79.8(3) . . ?
S1 Ag02 Ag03 134.2(3) . . ?
S1 Ag02 Ag05 50.5(2) . . ?
S1 Ag02 S6 119.3(4) . . ?
S6 Ag02 Ag01 139.5(3) . . ?
S6 Ag02 Ag03 76.2(3) . . ?
S6 Ag02 Ag05 99.4(3) . . ?
N20 Ag02 Ag01 83.9(10) . . ?
N20 Ag02 Ag03 81.5(8) . . ?
N20 Ag02 Ag05 147.8(10) . . ?
N20 Ag02 S1 126.0(8) . . ?
N20 Ag02 S6 106.2(9) . . ?
Ag02 Ag03 Ag01 54.58(10) . . ?
Ag06 Ag03 Ag01 98.05(12) . . ?
Ag06 Ag03 Ag02 68.18(11) . . ?
S2 Ag03 Ag01 105.3(3) . . ?
S2 Ag03 Ag02 134.9(3) . . ?
S2 Ag03 Ag06 77.3(3) . . ?
S2 Ag03 S5 122.5(4) . . ?
S5 Ag03 Ag01 46.9(3) . . ?
S5 Ag03 Ag02 75.8(3) . . ?
S5 Ag03 Ag06 141.0(3) . . ?
N1 Ag03 Ag01 128.2(8) . . ?
N1 Ag03 Ag02 80.0(8) . . ?
N1 Ag03 Ag06 84.7(8) . . ?
N1 Ag03 S2 125.4(9) . . ?
N1 Ag03 S5 103.7(9) . . ?
Ag05 Ag04 Ag06 65.31(11) . . ?
S2 Ag04 Ag05 129.1(3) . . ?
S2 Ag04 Ag06 73.1(3) . . ?
S3 Ag04 Ag05 71.9(3) . . ?
S3 Ag04 Ag06 126.1(3) . . ?
S3 Ag04 S2 115.3(4) . . ?
N74 Ag04 Ag05 87.2(10) . . ?
N74 Ag04 Ag06 83.5(9) . . ?
N74 Ag04 S2 116.3(12) . . ?
N74 Ag04 S3 126.2(11) . . ?
Ag01 Ag05 Ag06 93.76(11) . . ?
Ag02 Ag05 Ag01 54.45(10) . . ?
Ag02 Ag05 Ag06 63.70(10) . . ?
Ag04 Ag05 Ag01 74.56(12) . . ?
Ag04 Ag05 Ag02 98.83(12) . . ?
Ag04 Ag05 Ag06 61.90(11) . . ?
S1 Ag05 Ag01 73.8(3) . . ?
S1 Ag05 Ag02 50.3(2) . . ?
S1 Ag05 Ag04 145.3(3) . . ?
S1 Ag05 Ag06 106.4(3) . . ?
S1 Ag05 S4 120.6(4) . . ?
S4 Ag05 Ag01 141.4(3) . . ?
S4 Ag05 Ag02 104.8(3) . . ?
S4 Ag05 Ag04 78.1(3) . . ?
S4 Ag05 Ag06 48.9(3) . . ?
N23 Ag05 Ag01 89.5(9) . . ?
N23 Ag05 Ag02 139.8(9) . . ?
N23 Ag05 Ag04 86.0(8) . . ?
N23 Ag05 Ag06 145.3(8) . . ?
N23 Ag05 S1 107.6(9) . . ?
N23 Ag05 S4 115.2(9) . . ?
Ag03 Ag06 Ag04 67.22(11) . . ?
Ag03 Ag06 Ag05 86.00(12) . . ?
Ag04 Ag06 Ag05 52.79(10) . . ?
S4 Ag06 Ag03 132.6(3) . . ?
S4 Ag06 Ag04 72.4(3) . . ?
S4 Ag06 Ag05 49.2(3) . . ?
S6 Ag06 Ag03 78.8(3) . . ?
S6 Ag06 Ag04 135.0(3) . . ?
S6 Ag06 Ag05 97.9(3) . . ?
S6 Ag06 S4 116.8(4) . . ?
N24 Ag06 Ag03 88.0(10) . . ?
N24 Ag06 Ag04 80.7(11) . . ?
N24 Ag06 Ag05 131.5(11) . . ?
N24 Ag06 S4 109.2(11) . . ?
N24 Ag06 S6 127.9(11) . . ?
Ag02 S1 Ag05 79.2(3) . . ?
C16 S1 Ag02 106.6(16) . . ?
C16 S1 Ag05 108.5(13) . . ?
Ag03 S2 Ag04 87.5(3) . . ?
C77 S2 Ag03 105.3(13) . . ?
C77 S2 Ag04 104.5(12) . . ?
Ag04 S3 Ag01 97.5(4) . . ?
C S3 Ag01 104.7(14) . . ?
C S3 Ag04 108.8(14) . . ?
Ag06 S4 Ag05 81.9(3) . . ?
C49 S4 Ag05 108.3(16) . . ?
C49 S4 Ag06 102(2) . . ?
Ag01 S5 Ag03 84.2(4) . . ?
C33 S5 Ag01 107.6(14) . . ?
C33 S5 Ag03 103.0(16) . . ?
Ag06 S6 Ag02 86.1(4) . . ?
C29 S6 Ag02 101.7(11) . . ?
C29 S6 Ag06 102.3(11) . . ?
C29 N1 Ag03 123(2) . . ?
C29 N1 C66 117(3) . . ?
C66 N1 Ag03 120(2) . . ?
C29 O21 C6 112(3) . . ?
N1 C29 S6 123(3) . . ?
N1 C29 O21 132(3) . . ?
O21 C29 S6 105(2) . . ?
C101 C74 H74 122.4 . . ?
C101 C74 C100 115(6) . . ?
C100 C74 H74 122.4 . . ?
C74 C101 H101 119.7 . . ?
C103 C101 C74 121(5) . . ?
C103 C101 H101 119.7 . . ?
C101 C103 H103 119.3 . . ?
C102 C103 C101 121(5) . . ?
C102 C103 H103 119.3 . . ?
C103 C102 H102 120.3 . . ?
C103 C102 C20 119(6) . . ?
C20 C102 H102 120.3 . . ?
C74 C100 C66 109(4) . . ?
C20 C100 C74 120(5) . . ?
C20 C100 C66 131(4) . . ?
C77 O1 C17 113(3) . . ?
C O3 C2 106(3) . . ?
C16 N4 Ag01 121(3) . . ?
C16 N4 C43 123(3) . . ?
C43 N4 Ag01 116(3) . . ?
C30 C25 H25 121.5 . . ?
C5 C25 H25 121.5 . . ?
C5 C25 C30 117(5) . . ?
C25 C30 H30 120.2 . . ?
C32 C30 C25 120(5) . . ?
C32 C30 H30 120.2 . . ?
C7 C14 H14 120.8 . . ?
C32 C14 H14 120.8 . . ?
C32 C14 C7 118(5) . . ?
C14 C7 H7 120.8 . . ?
C5 C7 C14 118(4) . . ?
C5 C7 H7 120.8 . . ?
C22 C12 H12 120.0 . . ?
C22 C12 C18 120.0 . . ?
C18 C12 H12 120.0 . . ?
C12 C22 H22 120.0 . . ?
C28 C22 C12 120.0 . . ?
C28 C22 H22 120.0 . . ?
C22 C28 H28 120.0 . . ?
C22 C28 C50 120.0 . . ?
C50 C28 H28 120.0 . . ?
C28 C50 H50 120.0 . . ?
C28 C50 C35 120.0 . . ?
C35 C50 H50 120.0 . . ?
C50 C35 H35 120.0 . . ?
C18 C35 C50 120.0 . . ?
C18 C35 H35 120.0 . . ?
C12 C18 C44 122(3) . . ?
C35 C18 C12 120.0 . . ?
C35 C18 C44 118(3) . . ?
N4 C16 S1 124(3) . . ?
N4 C16 O17 123(4) . . ?
O17 C16 S1 113(3) . . ?
C16 O17 C9 117(3) . . ?
C51 N20 Ag02 114(3) . . ?
C33 N20 Ag02 120(3) . . ?
C33 N20 C51 125(4) . . ?
C N23 Ag05 105(3) . . ?
C N23 C52 120(4) . . ?
C52 N23 Ag05 128(3) . . ?
C44 N24 Ag06 122(3) . . ?
C77 N24 Ag06 118(3) . . ?
C77 N24 C44 119(4) . . ?
C49 O29 C58 111(4) . . ?
C33 O32 C34 112(4) . . ?
N4 C43 H43 106.8 . . ?
N4 C43 C1 108(4) . . ?
C1 C43 H43 106.8 . . ?
C5 C43 N4 107(3) . . ?
C5 C43 H43 106.8 . . ?
C5 C43 C1 120(4) . . ?
C18 C44 H44 108.0 . . ?
N24 C44 C18 111(4) . . ?
N24 C44 H44 108.0 . . ?
N24 C44 C11 111(4) . . ?
C11 C44 C18 111(4) . . ?
C11 C44 H44 108.0 . . ?
O3 C S3 107(3) . . ?
N23 C S3 125(3) . . ?
N23 C O3 127(4) . . ?
O29 C49 S4 110(3) . . ?
N74 C49 S4 130(3) . . ?
N74 C49 O29 120(4) . . ?
N20 C51 H51 106.8 . . ?
N20 C51 C21 114(4) . . ?
N20 C51 C86 111(5) . . ?
C21 C51 H51 106.8 . . ?
C86 C51 H51 106.8 . . ?
C86 C51 C21 111(4) . . ?
N23 C52 H52 107.7 . . ?
C3 C52 N23 114(4) . . ?
C3 C52 H52 107.7 . . ?
C45 C52 N23 111(4) . . ?
C45 C52 H52 107.7 . . ?
C45 C52 C3 108(4) . . ?
O29 C58 H58A 108.8 . . ?
O29 C58 H58B 108.8 . . ?
H58A C58 H58B 107.7 . . ?
C19 C58 O29 114(5) . . ?
C19 C58 H58A 108.8 . . ?
C19 C58 H58B 108.8 . . ?
H60A C60 H60B 108.4 . . ?
C66 C60 H60A 110.1 . . ?
C66 C60 H60B 110.1 . . ?
C6 C60 H60A 110.1 . . ?
C6 C60 H60B 110.1 . . ?
C6 C60 C66 108(4) . . ?
N1 C66 C60 111(3) . . ?
N1 C66 H66 109.0 . . ?
C100 C66 N1 106(3) . . ?
C100 C66 C60 112(4) . . ?
C100 C66 H66 109.0 . . ?
C60 C66 H66 109.0 . . ?
C49 N74 Ag04 114(3) . . ?
C49 N74 C75 125(4) . . ?
C75 N74 Ag04 120(3) . . ?
N74 C75 H75 107.3 . . ?
N74 C75 C19 112(5) . . ?
N74 C75 C24 110(4) . . ?
C19 C75 H75 107.3 . . ?
C19 C75 C24 112(5) . . ?
C24 C75 H75 107.3 . . ?
O1 C77 S2 106(3) . . ?
N24 C77 S2 125(3) . . ?
N24 C77 O1 128(4) . . ?
C87 C78 H78 118.5 . . ?
C87 C78 C24 123(6) . . ?
C24 C78 H78 118.5 . . ?
C15 C31 H31 119.0 . . ?
C15 C31 C24 122(6) . . ?
C24 C31 H31 119.0 . . ?
C31 C15 H15 119.5 . . ?
C31 C15 C23 121(6) . . ?
C23 C15 H15 119.5 . . ?
C15 C23 H23 123.0 . . ?
C15 C23 C87 114(6) . . ?
C87 C23 H23 123.0 . . ?
C78 C87 C23 120(6) . . ?
C78 C87 H87 120.2 . . ?
C23 C87 H87 120.2 . . ?
C8 C94 H94 119.8 . . ?
C45 C94 H94 119.8 . . ?
C45 C94 C8 120(4) . . ?
O17 C9 H9A 109.9 . . ?
O17 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C1 C9 O17 109(4) . . ?
C1 C9 H9A 109.9 . . ?
C1 C9 H9B 109.9 . . ?
C44 C11 H11A 110.4 . . ?
C44 C11 H11B 110.4 . . ?
H11A C11 H11B 108.6 . . ?
C17 C11 C44 107(4) . . ?
C17 C11 H11A 110.4 . . ?
C17 C11 H11B 110.4 . . ?
O1 C17 C11 113(4) . . ?
O1 C17 H17A 109.0 . . ?
O1 C17 H17B 109.0 . . ?
C11 C17 H17A 109.0 . . ?
C11 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
C52 C3 H3A 110.9 . . ?
C52 C3 H3B 110.9 . . ?
H3A C3 H3B 108.9 . . ?
C2 C3 C52 104(4) . . ?
C2 C3 H3A 110.9 . . ?
C2 C3 H3B 110.9 . . ?
O3 C2 H2A 108.4 . . ?
O3 C2 H2B 108.4 . . ?
C3 C2 O3 115(4) . . ?
C3 C2 H2A 108.4 . . ?
C3 C2 H2B 108.4 . . ?
H2A C2 H2B 107.5 . . ?
O32 C34 H34A 105.8 . . ?
O32 C34 H34B 105.8 . . ?
H34A C34 H34B 106.2 . . ?
C86 C34 O32 126(6) . . ?
C86 C34 H34A 105.8 . . ?
C86 C34 H34B 105.8 . . ?
C43 C1 H1A 109.0 . . ?
C43 C1 H1B 109.0 . . ?
C9 C1 C43 113(5) . . ?
C9 C1 H1A 109.0 . . ?
C9 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
C4 C27 H27 120.0 . . ?
C61 C27 H27 120.0 . . ?
C61 C27 C4 120(6) . . ?
C27 C4 H4 119.1 . . ?
C26 C4 C27 122(6) . . ?
C26 C4 H4 119.1 . . ?
C4 C26 H26 120.2 . . ?
C4 C26 C36 120(5) . . ?
C36 C26 H26 120.2 . . ?
C61 C21 C51 119(5) . . ?
C36 C21 C51 122(5) . . ?
C36 C21 C61 119(5) . . ?
C27 C61 C21 117(5) . . ?
C27 C61 H61 121.7 . . ?
C21 C61 H61 121.7 . . ?
O21 C6 C60 111(3) . . ?
O21 C6 H6A 109.5 . . ?
O21 C6 H6B 109.5 . . ?
C60 C6 H6A 109.5 . . ?
C60 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
C51 C86 H86A 107.2 . . ?
C51 C86 H86B 107.2 . . ?
C34 C86 C51 120(6) . . ?
C34 C86 H86A 107.2 . . ?
C34 C86 H86B 107.2 . . ?
H86A C86 H86B 106.9 . . ?
C94 C8 H8 125.3 . . ?
C13 C8 C94 109(5) . . ?
C13 C8 H8 125.3 . . ?
C42 C10 H10 116.5 . . ?
C45 C10 H10 116.5 . . ?
C45 C10 C42 127(5) . . ?
C8 C13 H13 117.2 . . ?
C42 C13 C8 126(6) . . ?
C42 C13 H13 117.2 . . ?
C10 C42 H42 122.0 . . ?
C13 C42 C10 116(5) . . ?
C13 C42 H42 122.0 . . ?
C94 C45 C52 114(4) . . ?
C94 C45 C10 122(5) . . ?
C10 C45 C52 123(5) . . ?
C58 C19 C75 101(5) . . ?
C58 C19 H19A 111.6 . . ?
C58 C19 H19B 111.6 . . ?
C75 C19 H19A 111.6 . . ?
C75 C19 H19B 111.6 . . ?
H19A C19 H19B 109.4 . . ?
N20 C33 S5 123(3) . . ?
N20 C33 O32 124(4) . . ?
O32 C33 S5 113(3) . . ?
C102 C20 H20 118.7 . . ?
C100 C20 C102 123(5) . . ?
C100 C20 H20 118.7 . . ?
C25 C5 C7 121(5) . . ?
C25 C5 C43 122(4) . . ?
C7 C5 C43 117(4) . . ?
C30 C32 C14 125(6) . . ?
C30 C32 H32 117.4 . . ?
C14 C32 H32 117.4 . . ?
C78 C24 C75 119(5) . . ?
C78 C24 C31 120(6) . . ?
C31 C24 C75 121(6) . . ?
C26 C36 H36 118.7 . . ?
C21 C36 C26 123(5) . . ?
C21 C36 H36 118.7 . . ?

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 S3 C O3 -91(3) . . . . ?
Ag01 S3 C N23 83(4) . . . . ?
Ag01 S5 C33 N20 -37(4) . . . . ?
Ag01 S5 C33 O32 143(3) . . . . ?
Ag01 N4 C16 S1 1(5) . . . . ?
Ag01 N4 C16 O17 180(3) . . . . ?
Ag01 N4 C43 C1 158(3) . . . . ?
Ag01 N4 C43 C5 27(4) . . . . ?
Ag02 S1 C16 N4 -38(4) . . . . ?
Ag02 S1 C16 O17 143(3) . . . . ?
Ag02 S6 C29 N1 39(3) . . . . ?
Ag02 S6 C29 O21 -142(2) . . . . ?
Ag02 N20 C51 C21 58(5) . . . . ?
Ag02 N20 C51 C86 -175(4) . . . . ?
Ag02 N20 C33 S5 -4(5) . . . . ?
Ag02 N20 C33 O32 176(3) . . . . ?
Ag03 S2 C77 O1 142(2) . . . . ?
Ag03 S2 C77 N24 -51(4) . . . . ?
Ag03 S5 C33 N20 51(4) . . . . ?
Ag03 S5 C33 O32 -130(3) . . . . ?
Ag03 N1 C29 S6 11(4) . . . . ?
Ag03 N1 C29 O21 -167(3) . . . . ?
Ag03 N1 C66 C100 65(4) . . . . ?
Ag03 N1 C66 C60 -172(3) . . . . ?
Ag04 S2 C77 O1 -127(2) . . . . ?
Ag04 S2 C77 N24 40(4) . . . . ?
Ag04 S3 C O3 166(2) . . . . ?
Ag04 S3 C N23 -21(4) . . . . ?
Ag04 N74 C75 C19 167(4) . . . . ?
Ag04 N74 C75 C24 42(6) . . . . ?
Ag05 S1 C16 N4 46(4) . . . . ?
Ag05 S1 C16 O17 -133(3) . . . . ?
Ag05 S4 C49 O29 152(3) . . . . ?
Ag05 S4 C49 N74 -22(6) . . . . ?
Ag05 N23 C S3 -30(4) . . . . ?
Ag05 N23 C O3 142(4) . . . . ?
Ag05 N23 C52 C3 -157(3) . . . . ?
Ag05 N23 C52 C45 81(4) . . . . ?
Ag06 S4 C49 O29 -123(4) . . . . ?
Ag06 S4 C49 N74 63(6) . . . . ?
Ag06 S6 C29 N1 -49(3) . . . . ?
Ag06 S6 C29 O21 129(2) . . . . ?
Ag06 N24 C44 C18 24(5) . . . . ?
Ag06 N24 C44 C11 148(4) . . . . ?
Ag06 N24 C77 S2 14(5) . . . . ?
Ag06 N24 C77 O1 178(3) . . . . ?
S1 C16 O17 C9 177(3) . . . . ?
S4 C49 N74 Ag04 -17(7) . . . . ?
S4 C49 N74 C75 172(5) . . . . ?
C29 N1 C66 C100 -116(4) . . . . ?
C29 N1 C66 C60 6(5) . . . . ?
C29 O21 C6 C60 -45(5) . . . . ?
C74 C101 C103 C102 10(13) . . . . ?
C74 C100 C66 N1 -158(4) . . . . ?
C74 C100 C66 C60 80(5) . . . . ?
C74 C100 C20 C102 -2(9) . . . . ?
C101 C74 C100 C66 -176(6) . . . . ?
C101 C74 C100 C20 6(9) . . . . ?
C101 C103 C102 C20 -5(11) . . . . ?
C103 C102 C20 C100 1(10) . . . . ?
C100 C74 C101 C103 -10(12) . . . . ?
N4 C16 O17 C9 -3(6) . . . . ?
N4 C43 C1 C9 52(6) . . . . ?
N4 C43 C5 C25 88(5) . . . . ?
N4 C43 C5 C7 -98(4) . . . . ?
C25 C30 C32 C14 0(9) . . . . ?
C30 C25 C5 C7 6(7) . . . . ?
C30 C25 C5 C43 180(5) . . . . ?
C14 C7 C5 C25 -4(7) . . . . ?
C14 C7 C5 C43 -178(4) . . . . ?
C7 C14 C32 C30 2(8) . . . . ?
C12 C22 C28 C50 0.0 . . . . ?
C12 C18 C44 N24 -125(3) . . . . ?
C12 C18 C44 C11 111(4) . . . . ?
C22 C12 C18 C35 0.0 . . . . ?
C22 C12 C18 C44 -177(3) . . . . ?
C22 C28 C50 C35 0.0 . . . . ?
C28 C50 C35 C18 0.0 . . . . ?
C50 C35 C18 C12 0.0 . . . . ?
C50 C35 C18 C44 177(3) . . . . ?
C35 C18 C44 N24 58(4) . . . . ?
C35 C18 C44 C11 -66(4) . . . . ?
C18 C12 C22 C28 0.0 . . . . ?
C18 C44 C11 C17 177(4) . . . . ?
C16 N4 C43 C1 -17(6) . . . . ?
C16 N4 C43 C5 -149(4) . . . . ?
C16 O17 C9 C1 35(6) . . . . ?
O17 C9 C1 C43 -59(5) . . . . ?
N20 C51 C21 C61 26(7) . . . . ?
N20 C51 C21 C36 -162(4) . . . . ?
N20 C51 C86 C34 -4(13) . . . . ?
N23 C52 C3 C2 44(5) . . . . ?
N23 C52 C45 C94 -29(6) . . . . ?
N23 C52 C45 C10 159(5) . . . . ?
N24 C44 C11 C17 54(6) . . . . ?
O29 C49 N74 Ag04 169(4) . . . . ?
O29 C49 N74 C75 -1(9) . . . . ?
O29 C58 C19 C75 -68(6) . . . . ?
O32 C34 C86 C51 14(20) . . . . ?
C43 N4 C16 S1 176(3) . . . . ?
C43 N4 C16 O17 -5(6) . . . . ?
C44 N24 C77 S2 -177(4) . . . . ?
C44 N24 C77 O1 -12(7) . . . . ?
C44 C11 C17 O1 -58(5) . . . . ?
C O3 C2 C3 49(5) . . . . ?
C N23 C52 C3 -9(6) . . . . ?
C N23 C52 C45 -132(4) . . . . ?
C49 O29 C58 C19 48(7) . . . . ?
C49 N74 C75 C19 -23(8) . . . . ?
C49 N74 C75 C24 -149(6) . . . . ?
C51 N20 C33 S5 -172(4) . . . . ?
C51 N20 C33 O32 8(7) . . . . ?
C51 C21 C61 C27 -180(5) . . . . ?
C51 C21 C36 C26 -178(5) . . . . ?
C52 N23 C S3 176(3) . . . . ?
C52 N23 C O3 -12(7) . . . . ?
C52 C3 C2 O3 -68(5) . . . . ?
C58 O29 C49 S4 175(4) . . . . ?
C58 O29 C49 N74 -10(7) . . . . ?
C66 N1 C29 S6 -167(3) . . . . ?
C66 N1 C29 O21 15(6) . . . . ?
C66 C100 C20 C102 -180(5) . . . . ?
C66 C60 C6 O21 62(5) . . . . ?
N74 C75 C19 C58 53(6) . . . . ?
N74 C75 C24 C78 30(8) . . . . ?
N74 C75 C24 C31 -154(6) . . . . ?
C77 O1 C17 C11 29(5) . . . . ?
C77 N24 C44 C18 -145(4) . . . . ?
C77 N24 C44 C11 -21(6) . . . . ?
C31 C15 C23 C87 5(8) . . . . ?
C15 C31 C24 C75 -171(6) . . . . ?
C15 C31 C24 C78 5(10) . . . . ?
C15 C23 C87 C78 -4(8) . . . . ?
C87 C78 C24 C75 172(6) . . . . ?
C87 C78 C24 C31 -4(10) . . . . ?
C94 C8 C13 C42 3(8) . . . . ?
C17 O1 C77 S2 175(3) . . . . ?
C17 O1 C77 N24 9(6) . . . . ?
C3 C52 C45 C94 -155(4) . . . . ?
C3 C52 C45 C10 33(7) . . . . ?
C2 O3 C S3 167(3) . . . . ?
C2 O3 C N23 -7(6) . . . . ?
C34 O32 C33 S5 -179(7) . . . . ?
C34 O32 C33 N20 0(9) . . . . ?
C1 C43 C5 C25 -36(6) . . . . ?
C1 C43 C5 C7 138(4) . . . . ?
C27 C4 C26 C36 5(10) . . . . ?
C4 C27 C61 C21 -4(9) . . . . ?
C4 C26 C36 C21 -1(9) . . . . ?
C21 C51 C86 C34 124(11) . . . . ?
C61 C27 C4 C26 -2(10) . . . . ?
C61 C21 C36 C26 -6(8) . . . . ?
C6 O21 C29 S6 -174(3) . . . . ?
C6 O21 C29 N1 5(6) . . . . ?
C6 C60 C66 N1 -42(5) . . . . ?
C6 C60 C66 C100 77(4) . . . . ?
C86 C51 C21 C61 -100(6) . . . . ?
C86 C51 C21 C36 72(7) . . . . ?
C8 C94 C45 C52 -169(4) . . . . ?
C8 C94 C45 C10 2(7) . . . . ?
C8 C13 C42 C10 0(9) . . . . ?
C42 C10 C45 C52 173(5) . . . . ?
C42 C10 C45 C94 2(9) . . . . ?
C45 C52 C3 C2 169(4) . . . . ?
C45 C94 C8 C13 -5(6) . . . . ?
C45 C10 C42 C13 -4(9) . . . . ?
C19 C75 C24 C78 -95(6) . . . . ?
C19 C75 C24 C31 80(7) . . . . ?
C33 N20 C51 C21 -133(5) . . . . ?
C33 N20 C51 C86 -7(7) . . . . ?
C33 O32 C34 C86 -12(18) . . . . ?
C20 C100 C66 N1 20(7) . . . . ?
C20 C100 C66 C60 -101(6) . . . . ?
C5 C25 C30 C32 -4(9) . . . . ?
C5 C43 C1 C9 175(4) . . . . ?
C32 C14 C7 C5 0(7) . . . . ?
C24 C75 C19 C58 178(5) . . . . ?
C24 C78 C87 C23 4(10) . . . . ?
C24 C31 C15 C23 -6(10) . . . . ?
C36 C21 C61 C27 8(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_mo_231201c_0m
_database_code_depnum_ccdc_archive 'CCDC 2342765'
loop_
_audit_author_name
_audit_author_address
'CHEN HUI'
;Tongji University
Australia
;
_audit_update_record             
;
2024-03-24 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_audit_creation_date             2023-12-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C30 H44 Ag6 N6 O6 S6'
_chemical_formula_sum            'C30 H44 Ag6 N6 O6 S6'
_chemical_formula_weight         1424.29
_chemical_melting_point          ?
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      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-y, x-y, z'
3 '-x+y, -x, z'
4 'x+2/3, y+1/3, z+1/3'
5 '-y+2/3, x-y+1/3, z+1/3'
6 '-x+y+2/3, -x+1/3, z+1/3'
7 'x+1/3, y+2/3, z+2/3'
8 '-y+1/3, x-y+2/3, z+2/3'
9 '-x+y+1/3, -x+2/3, z+2/3'
10 '-x, -y, -z'
11 'y, -x+y, -z'
12 'x-y, x, -z'
13 '-x+2/3, -y+1/3, -z+1/3'
14 'y+2/3, -x+y+1/3, -z+1/3'
15 'x-y+2/3, x+1/3, -z+1/3'
16 '-x+1/3, -y+2/3, -z+2/3'
17 'y+1/3, -x+y+2/3, -z+2/3'
18 'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   35.3936(6)
_cell_length_b                   35.3936(6)
_cell_length_c                   11.7131(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     12707.3(4)
_cell_formula_units_Z            9
_cell_measurement_reflns_used    9929
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      24.968
_cell_measurement_theta_min      2.961
_exptl_absorpt_coefficient_mu    2.297
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0998 before and 0.0756 after correction.
The Ratio of minimum to maximum transmission is 0.7303.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear reddish brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             6228
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0997
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            90046
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.96
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         0
_reflns_number_gt                4178
_reflns_number_total             4999
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XH  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         3.336
_refine_diff_density_min         -1.557
_refine_diff_density_rms         0.255
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4999
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0899
_refine_ls_restrained_S_all      1.153
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0755P)²+1322.8710P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2375
_refine_ls_wR_factor_ref         0.2479
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_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
2.a Ternary CH refined with riding coordinates:
 C00I(H00I)
2.b Secondary CH2 refined with riding coordinates:
 C00J(H00A,H00B), C5(H5A,H5B), C22(H22A,H22B), C1(H1A,H1B), C37(H37A,H37B),
 C42(H42A,H42B)
2.c Me refined with riding coordinates:
 C15(H15A,H15B,H15C), C14(H14A,H14B,H14C)
2.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.23187(4) 0.34796(4) 0.84163(11) 0.0418(4) Uani 1 1 d . . .
Ag02 Ag 0.17775(4) 0.34814(4) 0.64186(11) 0.0421(4) Uani 1 1 d . . .
Ag03 Ag 0.14314(4) 0.26456(4) 0.76256(11) 0.0441(4) Uani 1 1 d . . .
S004 S 0.21832(12) 0.42629(13) 0.7061(3) 0.0386(9) Uani 1 1 d . . .
S005 S 0.09864(13) 0.31472(14) 0.6125(4) 0.0428(9) Uani 1 1 d . . .
S006 S 0.21917(14) 0.28358(14) 0.7257(4) 0.0449(10) Uani 1 1 d . . .
N007 N 0.2835(4) 0.4119(5) 0.7595(14) 0.053(4) Uani 1 1 d . . .
O008 O 0.2990(4) 0.4738(4) 0.6484(16) 0.083(5) Uani 1 1 d . . .
N009 N 0.2225(5) 0.3312(5) 0.5444(13) 0.049(3) Uani 1 1 d . . .
N00A N 0.0899(5) 0.2350(5) 0.6318(14) 0.058(4) Uani 1 1 d . . .
O00B O 0.0405(5) 0.2456(5) 0.5205(15) 0.087(5) Uani 1 1 d . . .
C00D C 0.2717(5) 0.4360(5) 0.7090(15) 0.042(4) Uani 1 1 d . . .
C00E C 0.0763(6) 0.2595(6) 0.5859(17) 0.058(5) Uani 1 1 d . . .
C00F C 0.2343(6) 0.3072(6) 0.5886(15) 0.050(4) Uani 1 1 d . . .
C00G C 0.3299(5) 0.4232(7) 0.759(2) 0.084(8) Uani 1 1 d . . .
C00I C 0.2376(8) 0.3500(8) 0.4266(18) 0.072(6) Uani 1 1 d . . .
H00I H 0.2612 0.3782 0.4590 0.087 Uiso 1 1 calc R . .
C00J C 0.2687(10) 0.3396(10) 0.383(2) 0.097(9) Uani 1 1 d . . .
H00A H 0.2592 0.3290 0.3037 0.116 Uiso 1 1 calc R . .
H00B H 0.2964 0.3677 0.3756 0.116 Uiso 1 1 calc R . .
C2 C 0.0672(9) 0.1879(7) 0.603(3) 0.108(11) Uani 1 1 d . . .
C10 C 0.3342(10) 0.3889(13) 0.784(4) 0.19(2) Uani 1 1 d . . .
H10A H 0.3501 0.3941 0.8559 0.285 Uiso 1 1 calc R . .
H10B H 0.3503 0.3842 0.7227 0.285 Uiso 1 1 calc R . .
H10C H 0.3052 0.3629 0.7915 0.285 Uiso 1 1 calc R . .
C15 C 0.218(3) 0.368(3) 0.388(3) 0.39(7) Uani 1 1 d . . .
H15A H 0.1987 0.3690 0.4481 0.582 Uiso 1 1 calc R . .
H15B H 0.1999 0.3517 0.3228 0.582 Uiso 1 1 calc R . .
H15C H 0.2387 0.3980 0.3646 0.582 Uiso 1 1 calc R . .
C5 C 0.3446(7) 0.4856(10) 0.633(4) 0.151(18) Uani 1 1 d . . .
H5A H 0.3516 0.4908 0.5505 0.182 Uiso 1 1 calc R . .
H5B H 0.3631 0.5135 0.6730 0.182 Uiso 1 1 calc R . .
C22 C 0.0145(13) 0.2002(9) 0.493(5) 0.20(3) Uani 1 1 d . . .
H22A H -0.0143 0.1883 0.5304 0.237 Uiso 1 1 calc R . .
H22B H 0.0096 0.1972 0.4093 0.237 Uiso 1 1 calc R . .
C14 C 0.0855(16) 0.1676(10) 0.651(6) 0.31(5) Uani 1 1 d . . .
H14A H 0.0630 0.1403 0.6847 0.466 Uiso 1 1 calc R . .
H14B H 0.1056 0.1862 0.7106 0.466 Uiso 1 1 calc R . .
H14C H 0.1017 0.1613 0.5933 0.466 Uiso 1 1 calc R . .
C1 C 0.2783(16) 0.3128(16) 0.429(3) 0.19(2) Uani 1 1 d . . .
H1A H 0.3105 0.3269 0.4292 0.223 Uiso 1 1 calc R . .
H1B H 0.2673 0.2872 0.3777 0.223 Uiso 1 1 calc R . .
O13 O 0.2633(6) 0.2962(6) 0.5442(13) 0.083(5) Uani 1 1 d . . .
C37 C 0.3561(6) 0.4560(7) 0.670(2) 0.080(7) Uani 1 1 d . . .
H37A H 0.3863 0.4728 0.6992 0.096 Uiso 1 1 calc R . .
H37B H 0.3568 0.4397 0.6024 0.096 Uiso 1 1 calc R . .
C42 C 0.0328(12) 0.1766(9) 0.525(4) 0.148(16) Uani 1 1 d . . .
H42A H 0.0425 0.1692 0.4532 0.178 Uiso 1 1 calc R . .
H42B H 0.0084 0.1488 0.5540 0.178 Uiso 1 1 calc R . .


_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
Ag01 Ag02 3.0261(17) . ?
Ag01 Ag02 3.1884(17) 16_556 ?
Ag01 Ag03 3.0350(17) 16_556 ?
Ag01 Ag03 3.1879(18) . ?
Ag01 S005 2.492(4) 16_556 ?
Ag01 S006 2.492(5) . ?
Ag01 N007 2.291(13) . ?
Ag02 Ag01 3.1883(17) 16_556 ?
Ag02 Ag03 2.9369(16) . ?
Ag02 S004 2.512(4) . ?
Ag02 S005 2.459(4) . ?
Ag02 N009 2.262(14) . ?
Ag03 Ag01 3.0351(17) 16_556 ?
Ag03 S004 2.500(4) 16_556 ?
Ag03 S006 2.463(4) . ?
Ag03 N00A 2.241(15) . ?
S004 Ag03 2.500(4) 16_556 ?
S004 C00D 1.743(14) . ?
S005 Ag01 2.492(4) 16_556 ?
S005 C00E 1.73(2) . ?
S006 C00F 1.766(18) . ?
N007 C00D 1.27(2) . ?
N007 C00G 1.486(19) . ?
O008 C00D 1.39(2) . ?
O008 C5 1.46(2) . ?
N009 C00F 1.24(2) . ?
N009 C00I 1.51(2) . ?
N00A C00E 1.30(2) . ?
N00A C2 1.49(3) . ?
O00B C00E 1.35(2) . ?
O00B C22 1.43(3) . ?
C00F O13 1.367(19) . ?
C00G C10 1.33(4) . ?
C00G C37 1.49(3) . ?
C00I H00I 1.0000 . ?
C00I C00J 1.42(3) . ?
C00I C15 1.25(4) . ?
C00J H00A 0.9900 . ?
C00J H00B 0.9900 . ?
C00J C1 1.28(4) . ?
C2 C14 1.31(4) . ?
C2 C42 1.41(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C37 1.37(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C42 1.34(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 O13 1.46(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag02 Ag01 Ag02 95.02(4) . 16_556 ?
Ag02 Ag01 Ag03 56.34(4) . . ?
Ag02 Ag01 Ag03 71.16(4) . 16_556 ?
Ag03 Ag01 Ag02 67.16(4) . 16_556 ?
Ag03 Ag01 Ag02 56.25(4) 16_556 16_556 ?
Ag03 Ag01 Ag03 95.15(5) 16_556 . ?
S005 Ag01 Ag02 141.23(10) 16_556 . ?
S005 Ag01 Ag02 49.45(10) 16_556 16_556 ?
S005 Ag01 Ag03 109.61(11) 16_556 . ?
S005 Ag01 Ag03 75.04(10) 16_556 16_556 ?
S005 Ag01 S006 125.42(14) 16_556 . ?
S006 Ag01 Ag02 109.37(11) . 16_556 ?
S006 Ag01 Ag02 75.86(10) . . ?
S006 Ag01 Ag03 49.56(10) . . ?
S006 Ag01 Ag03 141.82(11) . 16_556 ?
N007 Ag01 Ag02 82.3(4) . . ?
N007 Ag01 Ag02 137.0(4) . 16_556 ?
N007 Ag01 Ag03 82.9(4) . 16_556 ?
N007 Ag01 Ag03 136.2(4) . . ?
N007 Ag01 S005 112.0(5) . 16_556 ?
N007 Ag01 S006 111.4(4) . . ?
Ag01 Ag02 Ag01 84.98(4) . 16_556 ?
Ag03 Ag02 Ag01 59.24(4) . 16_556 ?
Ag03 Ag02 Ag01 64.61(4) . . ?
S004 Ag02 Ag01 94.73(10) . 16_556 ?
S004 Ag02 Ag01 75.91(10) . . ?
S004 Ag02 Ag03 133.30(11) . . ?
S005 Ag02 Ag01 132.61(11) . . ?
S005 Ag02 Ag01 50.38(10) . 16_556 ?
S005 Ag02 Ag03 77.39(10) . . ?
S005 Ag02 S004 117.27(14) . . ?
N009 Ag02 Ag01 147.6(4) . 16_556 ?
N009 Ag02 Ag01 82.1(4) . . ?
N009 Ag02 Ag03 88.4(4) . . ?
N009 Ag02 S004 110.6(4) . . ?
N009 Ag02 S005 125.6(4) . . ?
Ag01 Ag03 Ag01 84.84(5) 16_556 . ?
Ag02 Ag03 Ag01 64.51(4) . 16_556 ?
Ag02 Ag03 Ag01 59.05(4) . . ?
S004 Ag03 Ag01 75.91(9) 16_556 16_556 ?
S004 Ag03 Ag01 94.99(10) 16_556 . ?
S004 Ag03 Ag02 133.28(11) 16_556 . ?
S006 Ag03 Ag01 132.77(11) . 16_556 ?
S006 Ag03 Ag01 50.37(11) . . ?
S006 Ag03 Ag02 78.00(10) . . ?
S006 Ag03 S004 116.72(14) . 16_556 ?
N00A Ag03 Ag01 147.2(4) . . ?
N00A Ag03 Ag01 84.2(4) . 16_556 ?
N00A Ag03 Ag02 88.3(4) . . ?
N00A Ag03 S004 112.1(4) . 16_556 ?
N00A Ag03 S006 123.8(5) . . ?
Ag03 S004 Ag02 89.45(12) 16_556 . ?
C00D S004 Ag02 100.9(6) . . ?
C00D S004 Ag03 104.9(6) . 16_556 ?
Ag02 S005 Ag01 80.17(13) . 16_556 ?
C00E S005 Ag01 103.1(7) . 16_556 ?
C00E S005 Ag02 109.7(6) . . ?
Ag03 S006 Ag01 80.07(13) . . ?
C00F S006 Ag01 101.0(6) . . ?
C00F S006 Ag03 108.7(6) . . ?
C00D N007 Ag01 119.5(10) . . ?
C00D N007 C00G 120.6(14) . . ?
C00G N007 Ag01 119.7(11) . . ?
C00D O008 C5 118.4(15) . . ?
C00F N009 Ag02 119.6(12) . . ?
C00F N009 C00I 121.3(15) . . ?
C00I N009 Ag02 119.1(11) . . ?
C00E N00A Ag03 118.5(12) . . ?
C00E N00A C2 118.7(16) . . ?
C2 N00A Ag03 122.6(13) . . ?
C00E O00B C22 120(2) . . ?
N007 C00D S004 124.4(12) . . ?
N007 C00D O008 125.5(13) . . ?
O008 C00D S004 110.1(11) . . ?
N00A C00E S005 124.4(13) . . ?
N00A C00E O00B 125.9(18) . . ?
O00B C00E S005 109.3(14) . . ?
N009 C00F S006 125.4(13) . . ?
N009 C00F O13 126.6(16) . . ?
O13 C00F S006 107.8(12) . . ?
N007 C00G C37 112.7(16) . . ?
C10 C00G N007 112(2) . . ?
C10 C00G C37 124(2) . . ?
N009 C00I H00I 91.6 . . ?
C00J C00I N009 111.6(18) . . ?
C00J C00I H00I 91.6 . . ?
C15 C00I N009 113(2) . . ?
C15 C00I H00I 91.6 . . ?
C15 C00I C00J 135(2) . . ?
C00I C00J H00A 106.2 . . ?
C00I C00J H00B 106.2 . . ?
H00A C00J H00B 106.4 . . ?
C1 C00J C00I 124(2) . . ?
C1 C00J H00A 106.2 . . ?
C1 C00J H00B 106.2 . . ?
C14 C2 N00A 112(2) . . ?
C14 C2 C42 136(3) . . ?
C42 C2 N00A 112(2) . . ?
C00G C10 H10A 109.5 . . ?
C00G C10 H10B 109.5 . . ?
C00G C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C00I C15 H15A 109.5 . . ?
C00I C15 H15B 109.5 . . ?
C00I C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O008 C5 H5A 108.1 . . ?
O008 C5 H5B 108.1 . . ?
H5A C5 H5B 107.3 . . ?
C37 C5 O008 116.6(19) . . ?
C37 C5 H5A 108.1 . . ?
C37 C5 H5B 108.1 . . ?
O00B C22 H22A 108.9 . . ?
O00B C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C42 C22 O00B 113(2) . . ?
C42 C22 H22A 108.9 . . ?
C42 C22 H22B 108.9 . . ?
C2 C14 H14A 109.5 . . ?
C2 C14 H14B 109.5 . . ?
C2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C00J C1 H1A 107.1 . . ?
C00J C1 H1B 107.1 . . ?
C00J C1 O13 121(2) . . ?
H1A C1 H1B 106.8 . . ?
O13 C1 H1A 107.1 . . ?
O13 C1 H1B 107.1 . . ?
C00F O13 C1 114.1(17) . . ?
C00G C37 H37A 107.1 . . ?
C00G C37 H37B 107.1 . . ?
C5 C37 C00G 121(2) . . ?
C5 C37 H37A 107.1 . . ?
C5 C37 H37B 107.1 . . ?
H37A C37 H37B 106.8 . . ?
C2 C42 H42A 105.2 . . ?
C2 C42 H42B 105.2 . . ?
C22 C42 C2 128(3) . . ?
C22 C42 H42A 105.2 . . ?
C22 C42 H42B 105.2 . . ?
H42A C42 H42B 105.9 . . ?

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 Ag02 Ag03 Ag01 -99.78(4) 16_556 . . . ?
Ag01 Ag02 Ag03 Ag01 99.78(4) . . . 16_556 ?
Ag01 Ag02 Ag03 S004 64.81(14) . . . 16_556 ?
Ag01 Ag02 Ag03 S004 -34.97(13) 16_556 . . 16_556 ?
Ag01 Ag02 Ag03 S006 -50.73(12) . . . . ?
Ag01 Ag02 Ag03 S006 -150.51(12) 16_556 . . . ?
Ag01 Ag02 Ag03 N00A -175.9(4) . . . . ?
Ag01 Ag02 Ag03 N00A 84.4(4) 16_556 . . . ?
Ag01 Ag02 S004 Ag03 -53.55(8) . . . 16_556 ?
Ag01 Ag02 S004 Ag03 30.06(10) 16_556 . . 16_556 ?
Ag01 Ag02 S004 C00D 51.5(6) . . . . ?
Ag01 Ag02 S004 C00D 135.1(6) 16_556 . . . ?
Ag01 Ag02 S005 Ag01 23.69(18) . . . 16_556 ?
Ag01 Ag02 S005 C00E -76.8(8) . . . . ?
Ag01 Ag02 S005 C00E -100.5(7) 16_556 . . . ?
Ag01 Ag02 N009 C00F -31(2) 16_556 . . . ?
Ag01 Ag02 N009 C00F 36.7(15) . . . . ?
Ag01 Ag02 N009 C00I 149.7(13) 16_556 . . . ?
Ag01 Ag02 N009 C00I -142.8(15) . . . . ?
Ag01 Ag03 S006 Ag01 22.31(19) 16_556 . . . ?
Ag01 Ag03 S006 C00F -98.3(6) . . . . ?
Ag01 Ag03 S006 C00F -76.0(7) 16_556 . . . ?
Ag01 Ag03 N00A C00E 33.1(15) 16_556 . . . ?
Ag01 Ag03 N00A C00E -38(2) . . . . ?
Ag01 Ag03 N00A C2 -142(2) 16_556 . . . ?
Ag01 Ag03 N00A C2 147.2(19) . . . . ?
Ag01 S005 C00E N00A -50(2) 16_556 . . . ?
Ag01 S005 C00E O00B 124.3(15) 16_556 . . . ?
Ag01 S006 C00F N009 -47.1(19) . . . . ?
Ag01 S006 C00F O13 129.1(13) . . . . ?
Ag01 N007 C00D S004 5(2) . . . . ?
Ag01 N007 C00D O008 -174.9(15) . . . . ?
Ag01 N007 C00G C10 15(4) . . . . ?
Ag01 N007 C00G C37 159.7(17) . . . . ?
Ag02 Ag01 Ag02 Ag01 0.0 16_556 . . 16_556 ?
Ag02 Ag01 Ag02 Ag03 -58.22(4) 16_556 . . . ?
Ag02 Ag01 Ag02 S004 96.17(9) 16_556 . . . ?
Ag02 Ag01 Ag02 S005 -18.10(15) 16_556 . . . ?
Ag02 Ag01 Ag02 N009 -150.2(4) 16_556 . . . ?
Ag02 Ag01 Ag03 Ag01 -63.28(4) . . . 16_556 ?
Ag02 Ag01 Ag03 Ag01 49.97(3) 16_556 . . 16_556 ?
Ag02 Ag01 Ag03 Ag02 113.24(4) 16_556 . . . ?
Ag02 Ag01 Ag03 S004 -25.37(9) 16_556 . . 16_556 ?
Ag02 Ag01 Ag03 S004 -138.61(10) . . . 16_556 ?
Ag02 Ag01 Ag03 S006 -146.28(13) 16_556 . . . ?
Ag02 Ag01 Ag03 S006 100.48(13) . . . . ?
Ag02 Ag01 Ag03 N00A 7.6(8) . . . . ?
Ag02 Ag01 Ag03 N00A 120.9(8) 16_556 . . . ?
Ag02 Ag01 S006 Ag03 -57.57(8) . . . . ?
Ag02 Ag01 S006 Ag03 32.84(12) 16_556 . . . ?
Ag02 Ag01 S006 C00F 140.2(6) 16_556 . . . ?
Ag02 Ag01 S006 C00F 49.8(6) . . . . ?
Ag02 Ag01 N007 C00D 33.7(14) . . . . ?
Ag02 Ag01 N007 C00D -55.4(18) 16_556 . . . ?
Ag02 Ag01 N007 C00G -142.1(18) . . . . ?
Ag02 Ag01 N007 C00G 128.8(16) 16_556 . . . ?
Ag02 Ag03 S006 Ag01 59.56(8) . . . . ?
Ag02 Ag03 S006 C00F -38.8(6) . . . . ?
Ag02 Ag03 N00A C00E -31.4(15) . . . . ?
Ag02 Ag03 N00A C2 154(2) . . . . ?
Ag02 S004 C00D N007 -51.1(17) . . . . ?
Ag02 S004 C00D O008 129.1(13) . . . . ?
Ag02 S005 C00E N00A 35(2) . . . . ?
Ag02 S005 C00E O00B -151.6(14) . . . . ?
Ag02 N009 C00F S006 0(2) . . . . ?
Ag02 N009 C00F O13 -175.5(16) . . . . ?
Ag02 N009 C00I C00J 174.3(19) . . . . ?
Ag02 N009 C00I C15 -11(5) . . . . ?
Ag03 Ag01 Ag02 Ag01 58.22(4) . . . 16_556 ?
Ag03 Ag01 Ag02 Ag01 -51.74(3) 16_556 . . 16_556 ?
Ag03 Ag01 Ag02 Ag03 -109.96(4) 16_556 . . . ?
Ag03 Ag01 Ag02 S004 154.38(10) . . . . ?
Ag03 Ag01 Ag02 S004 44.43(9) 16_556 . . . ?
Ag03 Ag01 Ag02 S005 -69.84(15) 16_556 . . . ?
Ag03 Ag01 Ag02 S005 40.12(15) . . . . ?
Ag03 Ag01 Ag02 N009 -92.0(4) . . . . ?
Ag03 Ag01 Ag02 N009 158.1(4) 16_556 . . . ?
Ag03 Ag01 Ag03 Ag01 0.0 16_556 . . 16_556 ?
Ag03 Ag01 Ag03 Ag02 63.28(4) 16_556 . . . ?
Ag03 Ag01 Ag03 S004 -75.33(9) 16_556 . . 16_556 ?
Ag03 Ag01 Ag03 S006 163.75(14) 16_556 . . . ?
Ag03 Ag01 Ag03 N00A 70.9(8) 16_556 . . . ?
Ag03 Ag01 S006 Ag03 -26.8(2) 16_556 . . . ?
Ag03 Ag01 S006 C00F 80.6(6) 16_556 . . . ?
Ag03 Ag01 S006 C00F 107.3(6) . . . . ?
Ag03 Ag01 N007 C00D -38.2(14) 16_556 . . . ?
Ag03 Ag01 N007 C00D 51.9(17) . . . . ?
Ag03 Ag01 N007 C00G 146.0(18) 16_556 . . . ?
Ag03 Ag01 N007 C00G -123.9(16) . . . . ?
Ag03 Ag02 S004 Ag03 -21.09(17) . . . 16_556 ?
Ag03 Ag02 S004 C00D 84.0(6) . . . . ?
Ag03 Ag02 S005 Ag01 60.31(8) . . . 16_556 ?
Ag03 Ag02 S005 C00E -40.2(7) . . . . ?
Ag03 Ag02 N009 C00F -27.9(15) . . . . ?
Ag03 Ag02 N009 C00I 152.6(15) . . . . ?
Ag03 S004 C00D N007 41.2(18) 16_556 . . . ?
Ag03 S004 C00D O008 -138.6(12) 16_556 . . . ?
Ag03 S006 C00F N009 36(2) . . . . ?
Ag03 S006 C00F O13 -147.7(13) . . . . ?
Ag03 N00A C00E S005 4(3) . . . . ?
Ag03 N00A C00E O00B -168.9(17) . . . . ?
Ag03 N00A C2 C14 -8(5) . . . . ?
Ag03 N00A C2 C42 175(3) . . . . ?
S004 Ag02 Ag03 Ag01 -35.18(13) . . . . ?
S004 Ag02 Ag03 Ag01 64.60(13) . . . 16_556 ?
S004 Ag02 Ag03 S004 29.6(2) . . . 16_556 ?
S004 Ag02 Ag03 S006 -85.92(17) . . . . ?
S004 Ag02 Ag03 N00A 149.0(5) . . . . ?
S004 Ag02 S005 Ag01 -72.16(15) . . . 16_556 ?
S004 Ag02 S005 C00E -172.7(7) . . . . ?
S004 Ag02 N009 C00F 108.3(15) . . . . ?
S004 Ag02 N009 C00I -71.2(15) . . . . ?
S004 Ag03 S006 Ag01 -73.11(15) 16_556 . . . ?
S004 Ag03 S006 C00F -171.4(6) 16_556 . . . ?
S004 Ag03 N00A C00E 105.3(15) 16_556 . . . ?
S004 Ag03 N00A C2 -70(2) 16_556 . . . ?
S005 Ag01 Ag02 Ag01 -21.11(17) 16_556 . . 16_556 ?
S005 Ag01 Ag02 Ag03 -79.32(17) 16_556 . . . ?
S005 Ag01 Ag02 S004 75.06(19) 16_556 . . . ?
S005 Ag01 Ag02 S005 -39.2(3) 16_556 . . . ?
S005 Ag01 Ag02 N009 -171.3(4) 16_556 . . . ?
S005 Ag01 Ag03 Ag01 75.94(11) 16_556 . . 16_556 ?
S005 Ag01 Ag03 Ag02 139.21(11) 16_556 . . . ?
S005 Ag01 Ag03 S004 0.61(14) 16_556 . . 16_556 ?
S005 Ag01 Ag03 S006 -120.31(16) 16_556 . . . ?
S005 Ag01 Ag03 N00A 146.9(8) 16_556 . . . ?
S005 Ag01 S006 Ag03 86.28(17) 16_556 . . . ?
S005 Ag01 S006 C00F -166.4(6) 16_556 . . . ?
S005 Ag01 N007 C00D -108.9(15) 16_556 . . . ?
S005 Ag01 N007 C00G 75.3(18) 16_556 . . . ?
S005 Ag02 Ag03 Ag01 -51.15(11) . . . 16_556 ?
S005 Ag02 Ag03 Ag01 -150.92(12) . . . . ?
S005 Ag02 Ag03 S004 -86.11(17) . . . 16_556 ?
S005 Ag02 Ag03 S006 158.34(16) . . . . ?
S005 Ag02 Ag03 N00A 33.2(5) . . . . ?
S005 Ag02 S004 Ag03 77.43(16) . . . 16_556 ?
S005 Ag02 S004 C00D -177.5(6) . . . . ?
S005 Ag02 N009 C00F -101.1(15) . . . . ?
S005 Ag02 N009 C00I 79.4(15) . . . . ?
S006 Ag01 Ag02 Ag01 108.74(11) . . . 16_556 ?
S006 Ag01 Ag02 Ag03 50.52(10) . . . . ?
S006 Ag01 Ag02 S004 -155.10(13) . . . . ?
S006 Ag01 Ag02 S005 90.63(18) . . . . ?
S006 Ag01 Ag02 N009 -41.4(4) . . . . ?
S006 Ag01 Ag03 Ag01 -163.75(14) . . . 16_556 ?
S006 Ag01 Ag03 Ag02 -100.48(13) . . . . ?
S006 Ag01 Ag03 S004 120.91(15) . . . 16_556 ?
S006 Ag01 Ag03 N00A -92.8(8) . . . . ?
S006 Ag01 N007 C00D 105.1(14) . . . . ?
S006 Ag01 N007 C00G -70.7(18) . . . . ?
S006 Ag03 N00A C00E -105.8(15) . . . . ?
S006 Ag03 N00A C2 79(2) . . . . ?
S006 C00F O13 C1 179(3) . . . . ?
N007 Ag01 Ag02 Ag01 -136.8(4) . . . 16_556 ?
N007 Ag01 Ag02 Ag03 164.9(4) . . . . ?
N007 Ag01 Ag02 S004 -40.7(4) . . . . ?
N007 Ag01 Ag02 S005 -154.9(4) . . . . ?
N007 Ag01 Ag02 N009 73.0(5) . . . . ?
N007 Ag01 Ag03 Ag01 -85.1(5) . . . 16_556 ?
N007 Ag01 Ag03 Ag02 -21.8(5) . . . . ?
N007 Ag01 Ag03 S004 -160.4(5) . . . 16_556 ?
N007 Ag01 Ag03 S006 78.6(5) . . . . ?
N007 Ag01 Ag03 N00A -14.2(10) . . . . ?
N007 Ag01 S006 Ag03 -133.2(4) . . . . ?
N007 Ag01 S006 C00F -25.9(7) . . . . ?
N007 C00G C37 C5 27(4) . . . . ?
O008 C5 C37 C00G -23(5) . . . . ?
N009 Ag02 Ag03 Ag01 -178.2(4) . . . 16_556 ?
N009 Ag02 Ag03 Ag01 82.0(4) . . . . ?
N009 Ag02 Ag03 S004 146.8(4) . . . 16_556 ?
N009 Ag02 Ag03 S006 31.3(4) . . . . ?
N009 Ag02 Ag03 N00A -93.9(6) . . . . ?
N009 Ag02 S004 Ag03 -129.3(4) . . . 16_556 ?
N009 Ag02 S004 C00D -24.2(7) . . . . ?
N009 Ag02 S005 Ag01 139.0(4) . . . 16_556 ?
N009 Ag02 S005 C00E 38.5(9) . . . . ?
N009 C00F O13 C1 -5(4) . . . . ?
N009 C00I C00J C1 9(5) . . . . ?
N00A Ag03 S006 Ag01 139.3(5) . . . . ?
N00A Ag03 S006 C00F 41.0(8) . . . . ?
N00A C2 C42 C22 -13(7) . . . . ?
O00B C22 C42 C2 16(8) . . . . ?
C00D N007 C00G C10 -161(3) . . . . ?
C00D N007 C00G C37 -16(3) . . . . ?
C00D O008 C5 C37 6(5) . . . . ?
C00E N00A C2 C14 177(4) . . . . ?
C00E N00A C2 C42 0(4) . . . . ?
C00E O00B C22 C42 -8(6) . . . . ?
C00F N009 C00I C00J -5(3) . . . . ?
C00F N009 C00I C15 170(5) . . . . ?
C00G N007 C00D S004 -179.0(17) . . . . ?
C00G N007 C00D O008 1(3) . . . . ?
C00I N009 C00F S006 179.6(16) . . . . ?
C00I N009 C00F O13 4(3) . . . . ?
C00I C00J C1 O13 -11(7) . . . . ?
C00J C1 O13 C00F 8(6) . . . . ?
C2 N00A C00E S005 179(2) . . . . ?
C2 N00A C00E O00B 6(4) . . . . ?
C10 C00G C37 C5 167(4) . . . . ?
C15 C00I C00J C1 -165(7) . . . . ?
C5 O008 C00D S004 -175(2) . . . . ?
C5 O008 C00D N007 5(4) . . . . ?
C22 O00B C00E S005 -176(3) . . . . ?
C22 O00B C00E N00A -2(4) . . . . ?
C14 C2 C42 C22 172(7) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_ch020_0m
_database_code_depnum_ccdc_archive 'CCDC 2351225'
loop_
_audit_author_name
_audit_author_address
'CHEN HUI'
;Tongji University
Australia
;
_audit_update_record             
;
2024-04-26 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_audit_creation_date             2024-04-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H60 Ag6 N6 S12'
_chemical_formula_sum            'C60 H60 Ag6 N6 S12'
_chemical_formula_weight         1897.08
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           76
_space_group_name_H-M_alt        'P 41'
_space_group_name_Hall           'P 4w'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x, z+1/4'
'y, -x, z+3/4'

_cell_length_a                   16.0961(8)
_cell_length_b                   16.0961(8)
_cell_length_c                   50.412(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13060.9(16)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9746
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      26.55
_cell_measurement_theta_min      2.91
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.192
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.3843
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1725 before and 0.1264 after correction.
The Ratio of minimum to maximum transmission is 0.5156.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.930
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7488
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0552
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       65
_diffrn_reflns_limit_l_min       -65
_diffrn_reflns_number            125624
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.474
_diffrn_reflns_theta_min         1.328
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           0.0
_diffrn_source_power             0.0
_diffrn_source_voltage           0.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.967
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.986
_reflns_number_gt                29315
_reflns_number_total             29645
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         3.262
_refine_diff_density_min         -1.513
_refine_diff_density_rms         0.239
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.34(4)
_refine_ls_extinction_coef       0.00034(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1514
_refine_ls_number_reflns         29645
_refine_ls_number_restraints     2203
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0586
_refine_ls_restrained_S_all      1.106
_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)+(0.0057P)²+355.3135P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1580
_refine_ls_wR_factor_ref         0.1582
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: -1.24
 0.4 0.5 0.5 0.5 0.34
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3. Uiso/Uaniso restraints and constraints
C013 \\sim C014 \\sim C017 \\sim C018 \\sim C019 \\sim C01A \\sim C01B \\sim
C01C \\sim C01D \\sim C01E \\sim C01F \\sim C01G \\sim C01H \\sim C01I \\sim
C01L \\sim C01M \\sim C01N \\sim C01O \\sim C01P \\sim C01Q \\sim C01R \\sim
C01S \\sim C01U \\sim C01V \\sim C01W \\sim C01X \\sim C01Y \\sim C020 \\sim
C023 \\sim C024 \\sim C025 \\sim C026 \\sim C027 \\sim C028 \\sim C029 \\sim
C02A \\sim C02B \\sim C02C \\sim C02D \\sim C02E \\sim C02F \\sim C02G \\sim
C02H \\sim C02I \\sim C02J \\sim C02K \\sim C02L \\sim C02M \\sim C02O \\sim
C02P \\sim C02Q \\sim C02R \\sim C02S \\sim C02T \\sim C02U \\sim C02V \\sim
C02W \\sim C02X \\sim C02Y \\sim C02Z \\sim C030 \\sim C031 \\sim C032 \\sim
C033 \\sim C034 \\sim C035 \\sim C036 \\sim C037 \\sim C038 \\sim C03A \\sim
C03B \\sim C03C \\sim C03D \\sim C03E \\sim C03F \\sim C03G \\sim C03H \\sim
C03I \\sim C03J \\sim C03K \\sim C03L \\sim C03M \\sim C03N \\sim C03O \\sim
C03P \\sim C03Q \\sim C03R \\sim C03S \\sim C03T \\sim C03U \\sim C03V \\sim
C03W \\sim C03X \\sim C03Y \\sim C03Z \\sim C040 \\sim C041 \\sim C042 \\sim
C043 \\sim C044 \\sim C045 \\sim C046 \\sim C047 \\sim C048 \\sim C049 \\sim
C04A \\sim C04B \\sim C04C \\sim C04D \\sim C04E \\sim C04F \\sim C04G \\sim
C04H \\sim C04I \\sim C04J \\sim C04K \\sim C04L \\sim C04M \\sim C04N \\sim
C04O: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 3.8A
Uanis(C01I) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
Uanis(N01T) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
Uanis(N021) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
4. Others
 Fixed X: Ag08(1.38993)
5.a Ternary CH refined with riding coordinates:
 C01V(H01V), C029(H029), C033(H033), C03C(H03f), C03N(H03p), C03X(H4),
 C040(H040), C042(H042), C044(H044), C04F(H04h), C04G(H04G), C04N(H04q)
5.b Secondary CH2 refined with riding coordinates:
 C01N(H01i,H01j), C01P(H01a,H01b), C01Q(H01k,H01n), C02B(H02a,H02b), C02I(H02d,
 H02f), C02L(H02g,H02i), C02O(H02o,H02q), C02Q(H02r,H02t), C02R(H02u,H02v),
 C02V(H02y,H), C02Y(H1,Ha), C031(H03a,H03b), C037(H03c,H03d), C03H(H03g,H03h),
 C03I(H03i,H03j), C03J(H03k,H03l), C03K(H03y,Hb), C03L(H03m,H03n), C03P(H03q,
 H03r), C03V(H03s,H03t), C04A(H04a,H04b), C04K(H04j,H04k), C04L(H04l,H04m),
 C04M(H04n,H04p)
5.c Aromatic/amide H refined with riding coordinates:
 C014(H014), C018(H018), C01C(H01C), C01D(H01D), C01E(H01E), C01F(H01F),
 C01G(H01G), C01H(H01H), C01L(H01L), C01M(H01M), C01R(H01R), C01U(H01U),
 C01W(H01W), C01X(H01X), C020(H020), C023(H023), C024(H024), C025(H025),
 C026(H026), C028(H028), C02A(H02j), C02C(H02C), C02E(H02E), C02G(H02k),
 C02H(H02H), C02J(H02l), C02K(H02m), C02M(H02n), C02P(H02P), C02S(H02S),
 C02T(H02w), C02W(H02), C02X(H02X), C02Z(H02Z), C032(H032), C034(H034),
 C035(H035), C03A(H03u), C03B(H03e), C03D(H03v), C03E(H03w), C03F(H03x),
 C03M(H03o), C03Q(H03z), C03R(H03), C03S(H2), C03W(H3), C03Z(H5), C041(H041),
 C043(H043), C046(H046), C047(H047), C048(H048), C049(H049), C04B(H04c),
 C04C(H04d), C04D(H04e), C04E(H04f), C04I(H04I), C04O(H04O)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.73134(7) 0.29261(7) 0.40853(2) 0.0147(2) Uani 1 1 d . . . . .
Ag02 Ag 0.88286(7) 0.39757(7) 0.38390(2) 0.0164(2) Uani 1 1 d . . . . .
Ag03 Ag 1.36076(7) 0.62957(7) 0.39346(2) 0.0162(2) Uani 1 1 d . . . . .
Ag04 Ag 1.26396(7) 0.89678(7) 0.39226(2) 0.0182(2) Uani 1 1 d . . . . .
Ag05 Ag 1.43189(8) 0.78270(7) 0.41420(3) 0.0205(3) Uani 1 1 d . . . . .
Ag06 Ag 0.79180(7) 0.13173(7) 0.37057(2) 0.0176(2) Uani 1 1 d . . . . .
Ag07 Ag 0.75498(7) 0.29253(7) 0.34836(2) 0.0160(2) Uani 1 1 d . . . . .
Ag08 Ag 1.389931 0.76936(7) 0.35041(2) 0.0176(2) Uani 1 1 d . . . . .
Ag09 Ag 0.89377(7) 0.22857(7) 0.42061(3) 0.0177(2) Uani 1 1 d . . . . .
Ag0A Ag 1.21897(8) 0.75794(7) 0.42484(3) 0.0193(2) Uani 1 1 d . . . . .
Ag0B Ag 0.96203(8) 0.25904(7) 0.35763(2) 0.0201(2) Uani 1 1 d . . . . .
Ag0C Ag 1.22033(7) 0.72234(7) 0.36329(3) 0.0194(3) Uani 1 1 d . . . . .
S00D S 1.0344(2) 0.2487(2) 0.40016(8) 0.0139(7) Uani 1 1 d . . . . .
S00E S 1.5238(2) 0.7654(2) 0.37591(8) 0.0155(7) Uani 1 1 d . . . . .
S00F S 0.8324(2) 0.4243(2) 0.33862(8) 0.0141(7) Uani 1 1 d . . . . .
S00G S 1.1501(3) 0.3546(3) 0.42759(11) 0.0285(10) Uani 1 1 d . . . . .
S00H S 1.6479(3) 0.6463(3) 0.36149(11) 0.0292(10) Uani 1 1 d . . . . .
S00I S 0.9634(2) 0.8500(2) 0.38215(10) 0.0217(9) Uani 1 1 d . . . . .
S00J S 0.7887(2) 0.4264(2) 0.42284(8) 0.0144(7) Uani 1 1 d . . . . .
S00K S 0.8955(3) 0.4543(3) 0.28670(9) 0.0253(9) Uani 1 1 d . . . . .
S00L S 0.8153(2) 0.0977(2) 0.41860(8) 0.0157(7) Uani 1 1 d . . . . .
S00M S 1.2732(2) 0.5806(2) 0.35514(8) 0.0145(7) Uani 1 1 d . . . . .
S00N S 1.3675(2) 0.9170(2) 0.42825(8) 0.0164(7) Uani 1 1 d . . . . .
S00O S 0.8987(2) 0.1348(2) 0.33534(8) 0.0180(7) Uani 1 1 d . . . . .
S00P S 1.1021(2) 0.7447(2) 0.39445(8) 0.0146(7) Uani 1 1 d . . . . .
S00Q S 1.3521(3) 0.6369(3) 0.49345(9) 0.0293(10) Uani 1 1 d . . . . .
S00R S 0.4899(3) 0.1579(3) 0.37731(10) 0.0235(9) Uani 1 1 d . . . . .
S00S S 0.8971(3) 0.1416(3) 0.27828(9) 0.0296(10) Uani 1 1 d . . . . .
S00T S 1.3201(2) 0.9060(2) 0.34564(8) 0.0172(7) Uani 1 1 d . . . . .
S00U S 0.8627(3) 0.4912(3) 0.47024(9) 0.0264(9) Uani 1 1 d . . . . .
S00V S 1.3341(3) 0.4988(3) 0.30835(10) 0.0298(10) Uani 1 1 d . . . . .
S00W S 1.3014(2) 0.6345(2) 0.43896(8) 0.0166(7) Uani 1 1 d . . . . .
S00X S 0.6245(2) 0.2729(2) 0.37276(7) 0.0146(7) Uani 1 1 d . . . . .
S00Y S 0.6690(3) 0.0187(3) 0.44043(11) 0.0297(10) Uani 1 1 d . . . . .
S00Z S 1.3617(3) 0.9470(4) 0.48457(10) 0.0348(11) Uani 1 1 d . . . . .
S010 S 1.1974(4) 0.9725(3) 0.31015(11) 0.0383(12) Uani 1 1 d . . . . .
N011 N 0.9723(9) 0.3484(9) 0.3221(3) 0.018(3) Uani 1 1 d . . . . .
N012 N 1.3869(9) 0.6517(9) 0.3237(3) 0.019(3) Uani 1 1 d . . . . .
C013 C 1.4675(11) 0.4654(11) 0.4008(4) 0.024(2) Uani 1 1 d . U . . .
C014 C 0.9058(11) 0.6428(10) 0.3488(4) 0.025(3) Uani 1 1 d . U . . .
H014 H 0.876462 0.672658 0.335514 0.030 Uiso 1 1 calc R U . . .
N015 N 1.4423(9) 0.7104(9) 0.4536(3) 0.019(3) Uani 1 1 d . . . . .
N016 N 1.0131(9) 0.4134(8) 0.4020(3) 0.021(3) Uani 1 1 d . . . . .
C017 C 0.9459(11) 0.2179(11) 0.4790(4) 0.025(2) Uani 1 1 d . U . . .
C018 C 1.7449(14) 0.7345(13) 0.4317(5) 0.038(3) Uani 1 1 d . U . . .
H018 H 1.796815 0.732906 0.422807 0.046 Uiso 1 1 calc R U . . .
C019 C 0.6174(10) 0.2780(10) 0.4663(3) 0.020(2) Uani 1 1 d . U . . .
C01A C 1.1588(10) 1.0488(10) 0.3975(4) 0.021(2) Uani 1 1 d . U . . .
C01B C 1.0588(10) 0.3518(10) 0.4089(4) 0.020(3) Uani 1 1 d . U . . .
C01C C 1.2147(13) 0.7389(14) 0.2454(4) 0.034(3) Uani 1 1 d . U . . .
H01C H 1.240986 0.766477 0.230976 0.041 Uiso 1 1 calc R U . . .
C01D C 0.9176(10) 0.5978(10) 0.3940(4) 0.024(2) Uani 1 1 d . U . . .
H01D H 0.895820 0.596265 0.411524 0.029 Uiso 1 1 calc R U . . .
C01E C 1.5916(13) 0.8390(13) 0.2966(4) 0.031(3) Uani 1 1 d . U . . .
H01E H 1.649194 0.850444 0.298504 0.037 Uiso 1 1 calc R U . . .
C01F C 0.8781(11) 0.6424(10) 0.3746(4) 0.025(3) Uani 1 1 d . U . . .
H01F H 0.830222 0.673893 0.379051 0.030 Uiso 1 1 calc R U . . .
C01G C 0.7732(12) -0.1517(11) 0.3474(4) 0.027(3) Uani 1 1 d . U . . .
H01G H 0.790596 -0.203760 0.354322 0.033 Uiso 1 1 calc R U . . .
C01H C 0.8068(11) -0.1235(11) 0.3246(4) 0.026(3) Uani 1 1 d . U . . .
H01H H 0.847128 -0.156271 0.315618 0.032 Uiso 1 1 calc R U . . .
C01I C 1.5477(10) 0.6593(10) 0.3750(3) 0.016(2) Uani 1 1 d . U . . .
N01J N 0.8894(8) 0.3327(8) 0.4523(3) 0.015(3) Uani 1 1 d . . . . .
N01K N 1.4985(8) 0.6020(8) 0.3827(3) 0.017(3) Uani 1 1 d . . . . .
C01L C 1.1508(12) 0.3458(12) 0.3372(4) 0.029(3) Uani 1 1 d . U . . .
H01L H 1.120331 0.391076 0.344416 0.035 Uiso 1 1 calc R U . . .
C01M C 1.2375(12) 0.2130(13) 0.3174(4) 0.031(3) Uani 1 1 d . U . . .
H01M H 1.266115 0.165734 0.310777 0.037 Uiso 1 1 calc R U . . .
C01N C 0.9446(11) 0.9583(10) 0.3764(4) 0.023(3) Uani 1 1 d . U . . .
H01I H 0.949033 0.969908 0.357127 0.028 Uiso 1 1 calc R U . . .
H01J H 0.887397 0.972256 0.382057 0.028 Uiso 1 1 calc R U . . .
C01O C 1.5905(12) 0.7383(12) 0.4575(4) 0.031(3) Uani 1 1 d . U . . .
C01P C 0.5609(11) 0.1320(11) 0.4623(4) 0.024(3) Uani 1 1 d . U . . .
H01A H 0.589401 0.121288 0.479406 0.029 Uiso 1 1 calc R U . . .
H01B H 0.502436 0.146563 0.466221 0.029 Uiso 1 1 calc R U . . .
C01Q C 1.6658(11) 0.5359(11) 0.3654(4) 0.029(3) Uani 1 1 d . U . . .
H01K H 1.654952 0.507636 0.348269 0.034 Uiso 1 1 calc R U . . .
H01N H 1.724733 0.526463 0.370082 0.034 Uiso 1 1 calc R U . . .
C01R C 0.9763(12) 0.5995(11) 0.3426(4) 0.028(3) Uani 1 1 d . U . . .
H01R H 0.995242 0.597910 0.324722 0.034 Uiso 1 1 calc R U . . .
C01S C 1.4775(11) 0.7408(12) 0.2970(4) 0.026(2) Uani 1 1 d . U . . .
N01T N 0.6491(8) 0.1092(8) 0.3665(3) 0.016(2) Uani 1 1 d . U . . .
C01U C 1.2276(13) 0.3268(13) 0.3474(4) 0.034(3) Uani 1 1 d . U . . .
H01U H 1.249957 0.359159 0.361454 0.041 Uiso 1 1 calc R U . . .
C01V C 1.4464(11) 0.6540(11) 0.3014(3) 0.022(2) Uani 1 1 d . U . . .
H01V H 1.495059 0.618412 0.306196 0.026 Uiso 1 1 calc R U . . .
C01W C 1.7125(14) 0.8104(14) 0.4398(5) 0.038(3) Uani 1 1 d . U . . .
H01W H 1.742287 0.860608 0.437089 0.046 Uiso 1 1 calc R U . . .
C01X C 1.1863(12) 0.7855(14) 0.2669(4) 0.033(3) Uani 1 1 d . U . . .
H01X H 1.192829 0.844180 0.267123 0.039 Uiso 1 1 calc R U . . .
C01Y C 0.6903(11) -0.0295(10) 0.3508(4) 0.023(2) Uani 1 1 d . U . . .
N01Z N 1.1933(9) 0.8138(9) 0.3289(3) 0.021(3) Uani 1 1 d . . . . .
C020 C 1.2055(12) 0.6540(14) 0.2445(4) 0.032(3) Uani 1 1 d . U . . .
H020 H 1.222556 0.622917 0.229426 0.038 Uiso 1 1 calc R U . . .
N021 N 1.1224(8) 0.9078(8) 0.3879(2) 0.013(2) Uani 1 1 d . U . . .
N022 N 0.7849(10) 0.2221(9) 0.3094(3) 0.020(3) Uani 1 1 d . . . . .
C023 C 1.5614(12) 0.7610(13) 0.3010(4) 0.029(3) Uani 1 1 d . U . . .
H023 H 1.598316 0.718897 0.306982 0.035 Uiso 1 1 calc R U . . .
C024 C 0.7225(11) -0.0008(11) 0.3273(4) 0.025(2) Uani 1 1 d . U . . .
H024 H 0.703591 0.050433 0.320206 0.030 Uiso 1 1 calc R U . . .
C025 C 1.2734(13) 0.2591(14) 0.3371(4) 0.036(3) Uani 1 1 d . U . . .
H025 H 1.327252 0.246047 0.343630 0.043 Uiso 1 1 calc R U . . .
C026 C 1.5358(13) 0.9019(14) 0.2893(4) 0.034(3) Uani 1 1 d . U . . .
H026 H 1.555877 0.956791 0.286665 0.041 Uiso 1 1 calc R U . . .
C027 C 0.9121(10) 0.3983(10) 0.3167(3) 0.019(2) Uani 1 1 d . U . . .
C028 C 1.2299(13) 1.0879(11) 0.4386(4) 0.029(3) Uani 1 1 d . U . . .
H028 H 1.238164 1.081088 0.457092 0.034 Uiso 1 1 calc R U . . .
C029 C 1.5199(11) 0.5129(10) 0.3810(4) 0.024(2) Uani 1 1 d . U . . .
H029 H 1.506851 0.492426 0.362710 0.029 Uiso 1 1 calc R U . . .
C02A C 1.2081(12) 1.1043(11) 0.3836(4) 0.028(3) Uani 1 1 d . U . . .
H02J H 1.200395 1.111430 0.365089 0.033 Uiso 1 1 calc R U . . .
C02B C 0.9277(12) 0.4517(11) 0.4970(4) 0.027(3) Uani 1 1 d . U . . .
H02A H 0.986496 0.465518 0.493225 0.032 Uiso 1 1 calc R U . . .
H02B H 0.912033 0.479483 0.513788 0.032 Uiso 1 1 calc R U . . .
C02C C 0.6567(11) 0.2693(11) 0.4907(4) 0.025(2) Uani 1 1 d . U . . .
H02C H 0.670381 0.215533 0.497075 0.030 Uiso 1 1 calc R U . . .
C02D C 1.3783(12) 0.6692(11) 0.4610(4) 0.027(3) Uani 1 1 d . U . . .
C02E C 0.6588(12) 0.4190(12) 0.4961(4) 0.028(3) Uani 1 1 d . U . . .
H02E H 0.672877 0.467002 0.506111 0.033 Uiso 1 1 calc R U . . .
C02F C 1.3414(9) 0.5896(10) 0.3277(3) 0.017(3) Uani 1 1 d . U . . .
C02G C 1.3745(12) 0.3774(12) 0.4375(5) 0.033(3) Uani 1 1 d . U . . .
H02K H 1.341897 0.346812 0.449832 0.040 Uiso 1 1 calc R U . . .
C02H C 0.6763(11) 0.3394(11) 0.5058(4) 0.026(3) Uani 1 1 d . U . . .
H02H H 0.701601 0.332982 0.522721 0.031 Uiso 1 1 calc R U . . .
C02I C 0.7464(12) 0.2055(13) 0.2615(4) 0.031(3) Uani 1 1 d . U . . .
H02D H 0.714344 0.231076 0.246878 0.037 Uiso 1 1 calc R U . . .
H02F H 0.722028 0.150259 0.265263 0.037 Uiso 1 1 calc R U . . .
C02J C 1.2771(12) 1.1439(11) 0.4241(4) 0.028(3) Uani 1 1 d . U . . .
H02L H 1.315566 1.178728 0.433088 0.034 Uiso 1 1 calc R U . . .
C02K C 1.0673(13) 0.8376(14) 0.4641(4) 0.035(3) Uani 1 1 d . U . . .
H02M H 1.080811 0.892719 0.458907 0.042 Uiso 1 1 calc R U . . .
C02L C 0.8388(13) 0.1949(14) 0.2528(4) 0.032(3) Uani 1 1 d . U . . .
H02G H 0.863734 0.250136 0.249521 0.038 Uiso 1 1 calc R U . . .
H02I H 0.841263 0.162684 0.236101 0.038 Uiso 1 1 calc R U . . .
C02M C 1.1695(12) 1.0417(11) 0.4249(4) 0.028(2) Uani 1 1 d . U . . .
H02N H 1.134930 1.004573 0.434573 0.033 Uiso 1 1 calc R U . . .
N02N N 0.6832(7) 0.1870(8) 0.4347(3) 0.013(2) Uani 1 1 d . . . . .
C02O C 1.2068(13) 0.9019(13) 0.5030(4) 0.033(3) Uani 1 1 d . U . . .
H02O H 1.182550 0.949503 0.493290 0.039 Uiso 1 1 calc R U . . .
H02Q H 1.170984 0.890232 0.518526 0.039 Uiso 1 1 calc R U . . .
C02P C 1.1615(12) 0.2327(13) 0.3068(4) 0.030(3) Uani 1 1 d . U . . .
H02P H 1.139487 0.200159 0.292732 0.037 Uiso 1 1 calc R U . . .
C02Q C 1.3901(12) 0.5264(12) 0.2781(4) 0.028(3) Uani 1 1 d . U . . .
H02R H 1.443478 0.495924 0.277715 0.033 Uiso 1 1 calc R U . . .
H02T H 1.357041 0.508661 0.262579 0.033 Uiso 1 1 calc R U . . .
C02R C 1.2934(13) 0.9250(13) 0.5126(4) 0.034(3) Uani 1 1 d . U . . .
H02U H 1.316693 0.878633 0.523130 0.041 Uiso 1 1 calc R U . . .
H02V H 1.289986 0.974489 0.524176 0.041 Uiso 1 1 calc R U . . .
C02S C 1.0200(11) 0.5582(11) 0.3620(4) 0.028(3) Uani 1 1 d . U . . .
H02S H 1.071061 0.532042 0.357638 0.034 Uiso 1 1 calc R U . . .
C02T C 1.4575(11) 0.4928(11) 0.4269(4) 0.026(2) Uani 1 1 d . U . . .
H02W H 1.483115 0.543082 0.432368 0.032 Uiso 1 1 calc R U . . .
C02U C 0.6516(11) 0.2766(13) 0.2946(4) 0.027(2) Uani 1 1 d . U . . .
C02V C 1.4071(12) 0.6182(12) 0.2761(4) 0.027(3) Uani 1 1 d . U . . .
H02Y H 1.354280 0.647708 0.272529 0.032 Uiso 1 1 calc R U . . .
H H 1.444793 0.628425 0.260949 0.032 Uiso 1 1 calc R U . . .
C02W C 0.9672(14) 0.7221(13) 0.4645(4) 0.036(3) Uani 1 1 d . U . . .
H02 H 0.914670 0.699115 0.459982 0.043 Uiso 1 1 calc R U . . .
C02X C 0.6205(12) 0.4260(12) 0.4717(4) 0.028(3) Uani 1 1 d . U . . .
H02X H 0.608389 0.479618 0.464872 0.034 Uiso 1 1 calc R U . . .
C02Y C 1.0065(11) 1.0128(10) 0.3914(4) 0.023(2) Uani 1 1 d . U . . .
H1 H 0.993151 1.071972 0.388264 0.028 Uiso 1 1 calc R U . . .
HA H 1.001066 1.002026 0.410705 0.028 Uiso 1 1 calc R U . . .
C02Z C 0.8768(12) 0.1782(12) 0.4870(4) 0.028(3) Uani 1 1 d . U . . .
H02Z H 0.828856 0.209406 0.491639 0.034 Uiso 1 1 calc R U . . .
C030 C 1.1237(13) 0.7914(12) 0.4780(4) 0.030(3) Uani 1 1 d . U . . .
C031 C 0.5635(11) 0.0536(12) 0.4453(4) 0.027(3) Uani 1 1 d . U . . .
H03A H 0.537678 0.065138 0.427856 0.032 Uiso 1 1 calc R U . . .
H03B H 0.530988 0.009114 0.454039 0.032 Uiso 1 1 calc R U . . .
C032 C 0.7149(11) -0.1068(11) 0.3608(4) 0.025(2) Uani 1 1 d . U . . .
H032 H 0.691206 -0.127865 0.376653 0.030 Uiso 1 1 calc R U . . .
C033 C 1.2082(12) 0.8249(12) 0.4846(4) 0.029(3) Uani 1 1 d . U . . .
H033 H 1.240558 0.779991 0.493631 0.035 Uiso 1 1 calc R U . . .
C034 C 0.5942(12) 0.2156(14) 0.2973(4) 0.031(3) Uani 1 1 d . U . . .
H034 H 0.609459 0.160419 0.292774 0.038 Uiso 1 1 calc R U . . .
C035 C 1.0170(13) 0.1770(12) 0.4734(4) 0.030(3) Uani 1 1 d . U . . .
H035 H 1.065522 0.206438 0.468273 0.036 Uiso 1 1 calc R U . . .
C036 C 0.8540(10) 0.4038(10) 0.4496(3) 0.020(3) Uani 1 1 d . U . . .
C037 C 1.1584(12) 0.4637(11) 0.4351(5) 0.032(3) Uani 1 1 d . U . . .
H03C H 1.127050 0.475800 0.451495 0.038 Uiso 1 1 calc R U . . .
H03D H 1.217455 0.477792 0.438271 0.038 Uiso 1 1 calc R U . . .
C038 C 0.8474(10) 0.1770(11) 0.3075(3) 0.021(2) Uani 1 1 d . U . . .
N039 N 1.2527(9) 0.8475(9) 0.4588(3) 0.019(3) Uani 1 1 d . . . . .
C03A C 1.6320(13) 0.8105(12) 0.4525(4) 0.035(3) Uani 1 1 d . U . . .
H03U H 1.607453 0.861938 0.457377 0.041 Uiso 1 1 calc R U . . .
C03B C 0.5998(11) 0.3578(11) 0.4573(4) 0.026(2) Uani 1 1 d . U . . .
H03E H 0.572701 0.364744 0.440730 0.031 Uiso 1 1 calc R U . . .
C03C C 1.0385(11) 0.3280(12) 0.3027(4) 0.026(2) Uani 1 1 d . U . . .
H03F H 1.018068 0.281699 0.291217 0.032 Uiso 1 1 calc R U . . .
C03D C 0.9899(13) 0.8043(14) 0.4576(4) 0.035(3) Uani 1 1 d . U . . .
H03V H 0.951178 0.837768 0.448170 0.042 Uiso 1 1 calc R U . . .
C03E C 1.2694(13) 1.1499(12) 0.3969(4) 0.031(3) Uani 1 1 d . U . . .
H03W H 1.305712 1.185022 0.387203 0.037 Uiso 1 1 calc R U . . .
C03F C 1.3834(13) 0.3477(13) 0.4123(5) 0.037(3) Uani 1 1 d . U . . .
H03X H 1.357998 0.296330 0.407700 0.044 Uiso 1 1 calc R U . . .
C03G C 1.1166(11) 0.2995(12) 0.3163(4) 0.026(2) Uani 1 1 d . U . . .
C03H C 0.9873(12) 0.4267(14) 0.2673(4) 0.033(3) Uani 1 1 d . U . . .
H03G H 0.973618 0.379632 0.255417 0.040 Uiso 1 1 calc R U . . .
H03H H 1.003389 0.474524 0.256047 0.040 Uiso 1 1 calc R U . . .
C03I C 0.9197(13) 0.3604(12) 0.5003(4) 0.028(3) Uani 1 1 d . U . . .
H03I H 0.861447 0.346601 0.504867 0.034 Uiso 1 1 calc R U . . .
H03J H 0.955418 0.342016 0.515212 0.034 Uiso 1 1 calc R U . . .
C03J C 0.5387(12) 0.0105(12) 0.3533(4) 0.028(3) Uani 1 1 d . U . . .
H03K H 0.526542 -0.049208 0.350623 0.033 Uiso 1 1 calc R U . . .
H03L H 0.538145 0.037808 0.335678 0.033 Uiso 1 1 calc R U . . .
C03K C 1.6110(11) 0.4984(11) 0.3865(4) 0.026(3) Uani 1 1 d . U . . .
H03Y H 1.625419 0.523108 0.403906 0.031 Uiso 1 1 calc R U . . .
HB H 1.621695 0.437946 0.387546 0.031 Uiso 1 1 calc R U . . .
C03L C 1.1252(11) 0.5174(11) 0.4127(4) 0.028(3) Uani 1 1 d . U . . .
H03M H 1.155041 0.504441 0.396048 0.034 Uiso 1 1 calc R U . . .
H03N H 1.134256 0.576767 0.416923 0.034 Uiso 1 1 calc R U . . .
C03M C 0.7830(12) -0.0465(11) 0.3139(4) 0.026(3) Uani 1 1 d . U . . .
H03O H 0.807396 -0.026164 0.298022 0.031 Uiso 1 1 calc R U . . .
C03N C 0.6251(11) 0.0198(11) 0.3657(4) 0.025(2) Uani 1 1 d . U . . .
H03P H 0.622662 -0.001304 0.384290 0.030 Uiso 1 1 calc R U . . .
C03O C 1.1478(12) 0.7445(14) 0.2883(4) 0.032(3) Uani 1 1 d . U . . .
C03P C 1.0596(11) 0.4029(12) 0.2848(4) 0.028(3) Uani 1 1 d . U . . .
H03Q H 1.075062 0.450935 0.295993 0.034 Uiso 1 1 calc R U . . .
H03R H 1.107949 0.388804 0.273520 0.034 Uiso 1 1 calc R U . . .
C03Q C 1.4269(12) 0.3890(12) 0.3938(5) 0.033(3) Uani 1 1 d . U . . .
H03Z H 1.430778 0.367884 0.376218 0.039 Uiso 1 1 calc R U . . .
C03R C 1.4093(12) 0.4463(12) 0.4453(4) 0.031(3) Uani 1 1 d . U . . .
H03 H 1.402619 0.465223 0.463016 0.038 Uiso 1 1 calc R U . . .
C03S C 1.4531(14) 0.8858(13) 0.2859(4) 0.035(3) Uani 1 1 d . U . . .
H2 H 1.415520 0.928681 0.280973 0.042 Uiso 1 1 calc R U . . .
C03T C 1.3139(12) 0.8934(11) 0.4579(4) 0.024(2) Uani 1 1 d . U . . .
C03U C 1.2287(11) 0.8862(13) 0.3280(4) 0.026(3) Uani 1 1 d . U . . .
C03V C 0.4707(12) 0.0493(11) 0.3709(4) 0.028(3) Uani 1 1 d . U . . .
H03S H 0.468322 0.019047 0.388020 0.033 Uiso 1 1 calc R U . . .
H03T H 0.416105 0.043186 0.362111 0.033 Uiso 1 1 calc R U . . .
C03W C 1.7035(14) 0.6631(13) 0.4364(5) 0.039(3) Uani 1 1 d . U . . .
H3 H 1.727539 0.611660 0.431308 0.046 Uiso 1 1 calc R U . . .
C03X C 1.5092(13) 0.7377(12) 0.4716(4) 0.031(3) Uani 1 1 d . U . . .
H4 H 1.496778 0.796242 0.476845 0.038 Uiso 1 1 calc R U . . .
C03Y C 0.5985(10) 0.1665(10) 0.3715(3) 0.018(2) Uani 1 1 d . U . . .
C03Z C 1.1445(12) 0.6600(14) 0.2881(4) 0.033(3) Uani 1 1 d . U . . .
H5 H 1.123912 0.631139 0.303117 0.040 Uiso 1 1 calc R U . . .
C040 C 0.6033(10) 0.2051(10) 0.4482(4) 0.020(2) Uani 1 1 d . U . . .
H040 H 0.563927 0.224327 0.434088 0.024 Uiso 1 1 calc R U . . .
C041 C 0.6275(11) 0.3570(13) 0.3017(4) 0.029(3) Uani 1 1 d . U . . .
H041 H 0.666756 0.400871 0.300324 0.034 Uiso 1 1 calc R U . . .
C042 C 1.0314(10) 0.5004(10) 0.4092(4) 0.024(2) Uani 1 1 d . U . . .
H042 H 1.003104 0.512697 0.426417 0.028 Uiso 1 1 calc R U . . .
C043 C 0.9495(13) 0.0475(12) 0.4831(4) 0.030(3) Uani 1 1 d . U . . .
H043 H 0.950518 -0.011231 0.484808 0.036 Uiso 1 1 calc R U . . .
C044 C 0.9446(11) 0.3143(11) 0.4752(3) 0.023(3) Uani 1 1 d . U . . .
H044 H 1.002048 0.332308 0.470357 0.027 Uiso 1 1 calc R U . . .
C045 C 0.9910(10) 0.5542(10) 0.3877(4) 0.023(2) Uani 1 1 d . U . . .
C046 C 0.5503(12) 0.3741(14) 0.3104(4) 0.031(3) Uani 1 1 d . U . . .
H046 H 0.536281 0.429596 0.314998 0.037 Uiso 1 1 calc R U . . .
C047 C 0.5126(12) 0.2303(14) 0.3066(4) 0.033(3) Uani 1 1 d . U . . .
H047 H 0.474054 0.185975 0.308521 0.040 Uiso 1 1 calc R U . . .
C048 C 1.0177(13) 0.0882(13) 0.4753(4) 0.031(3) Uani 1 1 d . U . . .
H048 H 1.066751 0.058234 0.471063 0.037 Uiso 1 1 calc R U . . .
C049 C 0.4905(13) 0.3120(14) 0.3130(4) 0.035(3) Uani 1 1 d . U . . .
H049 H 0.435869 0.324798 0.318837 0.042 Uiso 1 1 calc R U . . .
C04A C 1.0983(13) 0.9433(15) 0.2958(4) 0.037(3) Uani 1 1 d . U . . .
H04A H 1.059168 0.990371 0.297631 0.045 Uiso 1 1 calc R U . . .
H04B H 1.105981 0.932318 0.276661 0.045 Uiso 1 1 calc R U . . .
C04B C 1.6253(14) 0.6642(14) 0.4488(5) 0.039(3) Uani 1 1 d . U . . .
H04C H 1.595828 0.613601 0.451162 0.047 Uiso 1 1 calc R U . . .
C04C C 1.1709(13) 0.6156(14) 0.2661(4) 0.034(3) Uani 1 1 d . U . . .
H04D H 1.164872 0.556882 0.266054 0.041 Uiso 1 1 calc R U . . .
C04D C 1.0297(14) 0.6754(15) 0.4789(5) 0.040(3) Uani 1 1 d . U . . .
H04E H 1.018284 0.619768 0.484001 0.048 Uiso 1 1 calc R U . . .
C04E C 1.4244(13) 0.8018(13) 0.2899(4) 0.031(3) Uani 1 1 d . U . . .
H04F H 1.367216 0.789128 0.287481 0.037 Uiso 1 1 calc R U . . .
C04F C 1.0955(10) 0.9960(10) 0.3829(4) 0.020(2) Uani 1 1 d . U . . .
H04H H 1.100330 1.007576 0.363493 0.024 Uiso 1 1 calc R U . . .
C04G C 0.7396(11) 0.2599(13) 0.2862(4) 0.027(3) Uani 1 1 d . U . . .
H04G H 0.766320 0.314545 0.282124 0.032 Uiso 1 1 calc R U . . .
C04H C 1.0714(9) 0.8471(9) 0.3881(3) 0.015(2) Uani 1 1 d . U . . .
C04I C 1.1050(14) 0.7100(13) 0.4852(4) 0.035(3) Uani 1 1 d . U . . .
H04I H 1.144876 0.678061 0.494651 0.042 Uiso 1 1 calc R U . . .
C04J C 0.7163(9) 0.1148(10) 0.4321(3) 0.017(2) Uani 1 1 d . U . . .
C04K C 1.0606(12) 0.8672(15) 0.3087(4) 0.036(3) Uani 1 1 d . U . . .
H04J H 1.013879 0.847937 0.297533 0.043 Uiso 1 1 calc R U . . .
H04K H 1.037139 0.883864 0.326079 0.043 Uiso 1 1 calc R U . . .
C04L C 1.4339(15) 0.6866(15) 0.5126(5) 0.042(4) Uani 1 1 d . U . . .
H04L H 1.417836 0.744595 0.516623 0.051 Uiso 1 1 calc R U . . .
H04M H 1.441331 0.656787 0.529613 0.051 Uiso 1 1 calc R U . . .
C04M C 1.5152(14) 0.6860(13) 0.4972(4) 0.036(3) Uani 1 1 d . U . . .
H04N H 1.529882 0.627985 0.492650 0.043 Uiso 1 1 calc R U . . .
H04P H 1.559973 0.708706 0.508530 0.043 Uiso 1 1 calc R U . . .
C04N C 1.1191(12) 0.7939(14) 0.3133(4) 0.031(3) Uani 1 1 d . U . . .
H04Q H 1.086981 0.753430 0.324250 0.037 Uiso 1 1 calc R U . . .
C04O C 0.8748(14) 0.0927(13) 0.4887(4) 0.033(3) Uani 1 1 d . U . . .
H04O H 0.825200 0.064428 0.493473 0.040 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 Ag02 3.2161(16) . ?
Ag01 Ag06 3.3636(17) . ?
Ag01 Ag07 3.0568(17) . ?
Ag01 Ag09 2.8757(16) . ?
Ag01 S00J 2.452(4) . ?
Ag01 S00X 2.512(4) . ?
Ag01 N02N 2.288(12) . ?
Ag02 Ag07 3.2100(17) . ?
Ag02 Ag09 3.2948(17) . ?
Ag02 Ag0B 2.8895(17) . ?
Ag02 S00F 2.461(4) . ?
Ag02 S00J 2.523(4) . ?
Ag02 N016 2.301(14) . ?
Ag03 Ag05 2.9119(17) . ?
Ag03 Ag08 3.1614(17) . ?
Ag03 Ag0C 3.1068(17) . ?
Ag03 S00M 2.518(4) . ?
Ag03 S00W 2.486(4) . ?
Ag03 N01K 2.326(13) . ?
Ag04 Ag0A 2.8664(17) . ?
Ag04 Ag0C 3.2419(17) . ?
Ag04 S00N 2.485(4) . ?
Ag04 S00T 2.522(4) . ?
Ag04 N021 2.296(12) . ?
Ag05 Ag08 3.2930(18) . ?
Ag05 S00E 2.448(4) . ?
Ag05 S00N 2.500(4) . ?
Ag05 N015 2.307(14) . ?
Ag06 Ag07 2.8817(16) . ?
Ag06 S00L 2.511(4) . ?
Ag06 S00O 2.474(4) . ?
Ag06 N01T 2.334(13) . ?
Ag07 S00F 2.509(4) . ?
Ag07 S00X 2.454(4) . ?
Ag07 N022 2.319(13) . ?
Ag08 Ag0C 2.9064(13) . ?
Ag08 S00E 2.510(4) . ?
Ag08 S00T 2.481(4) . ?
Ag08 N012 2.324(14) . ?
Ag09 S00D 2.509(4) . ?
Ag09 S00L 2.459(4) . ?
Ag09 N01J 2.318(14) . ?
Ag0A Ag0C 3.1554(18) . ?
Ag0A S00P 2.436(4) . ?
Ag0A S00W 2.492(4) . ?
Ag0A N039 2.302(14) . ?
Ag0B S00D 2.445(4) . ?
Ag0B S00O 2.511(4) . ?
Ag0B N011 2.302(13) . ?
Ag0C S00M 2.470(4) . ?
Ag0C S00P 2.494(4) . ?
Ag0C N01Z 2.317(15) . ?
S00D C01B 1.761(16) . ?
S00E C01I 1.752(16) . ?
S00F C027 1.746(17) . ?
S00G C01B 1.747(17) . ?
S00G C037 1.801(19) . ?
S00H C01I 1.762(16) . ?
S00H C01Q 1.812(19) . ?
S00I C01N 1.793(17) . ?
S00I C04H 1.764(15) . ?
S00J C036 1.748(18) . ?
S00K C027 1.778(17) . ?
S00K C03H 1.828(19) . ?
S00L C04J 1.754(16) . ?
S00M C02F 1.770(16) . ?
S00N C03T 1.767(19) . ?
S00O C038 1.767(18) . ?
S00P C04H 1.749(15) . ?
S00Q C02D 1.77(2) . ?
S00Q C04L 1.82(2) . ?
S00R C03V 1.804(18) . ?
S00R C03Y 1.778(16) . ?
S00S C02L 1.81(2) . ?
S00S C038 1.769(17) . ?
S00T C03U 1.748(19) . ?
S00U C02B 1.823(19) . ?
S00U C036 1.756(17) . ?
S00V C02F 1.762(17) . ?
S00V C02Q 1.82(2) . ?
S00W C02D 1.756(19) . ?
S00X C03Y 1.764(16) . ?
S00Y C031 1.806(19) . ?
S00Y C04J 1.775(16) . ?
S00Z C02R 1.82(2) . ?
S00Z C03T 1.775(18) . ?
S010 C03U 1.73(2) . ?
S010 C04A 1.81(2) . ?
N011 C027 1.29(2) . ?
N011 C03C 1.48(2) . ?
N012 C01V 1.48(2) . ?
N012 C02F 1.26(2) . ?
C013 C029 1.51(3) . ?
C013 C02T 1.40(3) . ?
C013 C03Q 1.44(3) . ?
C014 H014 0.9500 . ?
C014 C01F 1.37(3) . ?
C014 C01R 1.37(3) . ?
N015 C02D 1.28(2) . ?
N015 C03X 1.48(2) . ?
N016 C01B 1.28(2) . ?
N016 C042 1.48(2) . ?
C017 C02Z 1.35(3) . ?
C017 C035 1.35(3) . ?
C017 C044 1.56(2) . ?
C018 H018 0.9500 . ?
C018 C01W 1.39(3) . ?
C018 C03W 1.35(3) . ?
C019 C02C 1.39(3) . ?
C019 C03B 1.39(2) . ?
C019 C040 1.51(2) . ?
C01A C02A 1.38(2) . ?
C01A C02M 1.40(3) . ?
C01A C04F 1.52(2) . ?
C01C H01C 0.9500 . ?
C01C C01X 1.40(3) . ?
C01C C020 1.38(3) . ?
C01D H01D 0.9500 . ?
C01D C01F 1.37(3) . ?
C01D C045 1.41(2) . ?
C01E H01E 0.9500 . ?
C01E C023 1.36(3) . ?
C01E C026 1.40(3) . ?
C01F H01F 0.9500 . ?
C01G H01G 0.9500 . ?
C01G C01H 1.35(3) . ?
C01G C032 1.36(3) . ?
C01H H01H 0.9500 . ?
C01H C03M 1.40(3) . ?
C01I N01K 1.28(2) . ?
N01J C036 1.29(2) . ?
N01J C044 1.49(2) . ?
N01K C029 1.48(2) . ?
C01L H01L 0.9500 . ?
C01L C01U 1.37(3) . ?
C01L C03G 1.40(3) . ?
C01M H01M 0.9500 . ?
C01M C025 1.37(3) . ?
C01M C02P 1.37(3) . ?
C01N H01I 0.9900 . ?
C01N H01J 0.9900 . ?
C01N C02Y 1.53(2) . ?
C01O C03A 1.37(3) . ?
C01O C03X 1.49(3) . ?
C01O C04B 1.39(3) . ?
C01P H01A 0.9900 . ?
C01P H01B 0.9900 . ?
C01P C031 1.53(3) . ?
C01P C040 1.54(2) . ?
C01Q H01K 0.9900 . ?
C01Q H01N 0.9900 . ?
C01Q C03K 1.51(3) . ?
C01R H01R 0.9500 . ?
C01R C02S 1.38(3) . ?
C01S C01V 1.50(3) . ?
C01S C023 1.40(3) . ?
C01S C04E 1.35(3) . ?
N01T C03N 1.49(2) . ?
N01T C03Y 1.26(2) . ?
C01U H01U 0.9500 . ?
C01U C025 1.42(3) . ?
C01V H01V 1.0000 . ?
C01V C02V 1.54(3) . ?
C01W H01W 0.9500 . ?
C01W C03A 1.44(3) . ?
C01X H01X 0.9500 . ?
C01X C03O 1.41(3) . ?
C01Y C024 1.37(3) . ?
C01Y C032 1.40(2) . ?
C01Y C03N 1.51(3) . ?
N01Z C03U 1.30(3) . ?
N01Z C04N 1.46(2) . ?
C020 H020 0.9500 . ?
C020 C04C 1.37(3) . ?
N021 C04F 1.506(19) . ?
N021 C04H 1.277(19) . ?
N022 C038 1.24(2) . ?
N022 C04G 1.51(2) . ?
C023 H023 0.9500 . ?
C024 H024 0.9500 . ?
C024 C03M 1.40(3) . ?
C025 H025 0.9500 . ?
C026 H026 0.9500 . ?
C026 C03S 1.37(3) . ?
C028 H028 0.9500 . ?
C028 C02J 1.38(3) . ?
C028 C02M 1.41(3) . ?
C029 H029 1.0000 . ?
C029 C03K 1.51(2) . ?
C02A H02J 0.9500 . ?
C02A C03E 1.40(3) . ?
C02B H02A 0.9900 . ?
C02B H02B 0.9900 . ?
C02B C03I 1.48(3) . ?
C02C H02C 0.9500 . ?
C02C C02H 1.40(3) . ?
C02E H02E 0.9500 . ?
C02E C02H 1.40(3) . ?
C02E C02X 1.38(3) . ?
C02G H02K 0.9500 . ?
C02G C03F 1.37(3) . ?
C02G C03R 1.30(3) . ?
C02H H02H 0.9500 . ?
C02I H02D 0.9900 . ?
C02I H02F 0.9900 . ?
C02I C02L 1.56(3) . ?
C02I C04G 1.53(3) . ?
C02J H02L 0.9500 . ?
C02J C03E 1.38(3) . ?
C02K H02M 0.9500 . ?
C02K C030 1.37(3) . ?
C02K C03D 1.40(3) . ?
C02L H02G 0.9900 . ?
C02L H02I 0.9900 . ?
C02M H02N 0.9500 . ?
N02N C040 1.483(19) . ?
N02N C04J 1.29(2) . ?
C02O H02O 0.9900 . ?
C02O H02Q 0.9900 . ?
C02O C02R 1.52(3) . ?
C02O C033 1.55(3) . ?
C02P H02P 0.9500 . ?
C02P C03G 1.38(3) . ?
C02Q H02R 0.9900 . ?
C02Q H02T 0.9900 . ?
C02Q C02V 1.51(3) . ?
C02R H02U 0.9900 . ?
C02R H02V 0.9900 . ?
C02S H02S 0.9500 . ?
C02S C045 1.38(3) . ?
C02T H02W 0.9500 . ?
C02T C03R 1.42(3) . ?
C02U C034 1.35(3) . ?
C02U C041 1.40(3) . ?
C02U C04G 1.50(3) . ?
C02V H02Y 0.9900 . ?
C02V H 0.9900 . ?
C02W H02 0.9500 . ?
C02W C03D 1.42(3) . ?
C02W C04D 1.45(3) . ?
C02X H02X 0.9500 . ?
C02X C03B 1.36(3) . ?
C02Y H1 0.9900 . ?
C02Y HA 0.9900 . ?
C02Y C04F 1.52(2) . ?
C02Z H02Z 0.9500 . ?
C02Z C04O 1.38(3) . ?
C030 C033 1.50(3) . ?
C030 C04I 1.39(3) . ?
C031 H03A 0.9900 . ?
C031 H03B 0.9900 . ?
C032 H032 0.9500 . ?
C033 H033 1.0000 . ?
C033 N039 1.53(2) . ?
C034 H034 0.9500 . ?
C034 C047 1.41(3) . ?
C035 H035 0.9500 . ?
C035 C048 1.43(3) . ?
C037 H03C 0.9900 . ?
C037 H03D 0.9900 . ?
C037 C03L 1.52(3) . ?
N039 C03T 1.23(2) . ?
C03A H03U 0.9500 . ?
C03B H03E 0.9500 . ?
C03C H03F 1.0000 . ?
C03C C03G 1.50(3) . ?
C03C C03P 1.55(3) . ?
C03D H03V 0.9500 . ?
C03E H03W 0.9500 . ?
C03F H03X 0.9500 . ?
C03F C03Q 1.34(3) . ?
C03H H03G 0.9900 . ?
C03H H03H 0.9900 . ?
C03H C03P 1.51(3) . ?
C03I H03I 0.9900 . ?
C03I H03J 0.9900 . ?
C03I C044 1.52(3) . ?
C03J H03K 0.9900 . ?
C03J H03L 0.9900 . ?
C03J C03N 1.53(3) . ?
C03J C03V 1.54(3) . ?
C03K H03Y 0.9900 . ?
C03K HB 0.9900 . ?
C03L H03M 0.9900 . ?
C03L H03N 0.9900 . ?
C03L C042 1.55(2) . ?
C03M H03O 0.9500 . ?
C03N H03P 1.0000 . ?
C03O C03Z 1.36(3) . ?
C03O C04N 1.56(3) . ?
C03P H03Q 0.9900 . ?
C03P H03R 0.9900 . ?
C03Q H03Z 0.9500 . ?
C03R H03 0.9500 . ?
C03S H2 0.9500 . ?
C03S C04E 1.44(3) . ?
C03V H03S 0.9900 . ?
C03V H03T 0.9900 . ?
C03W H3 0.9500 . ?
C03W C04B 1.40(3) . ?
C03X H4 1.0000 . ?
C03X C04M 1.54(3) . ?
C03Z H5 0.9500 . ?
C03Z C04C 1.38(3) . ?
C040 H040 1.0000 . ?
C041 H041 0.9500 . ?
C041 C046 1.35(3) . ?
C042 H042 1.0000 . ?
C042 C045 1.53(3) . ?
C043 H043 0.9500 . ?
C043 C048 1.34(3) . ?
C043 C04O 1.43(3) . ?
C044 H044 1.0000 . ?
C046 H046 0.9500 . ?
C046 C049 1.39(3) . ?
C047 H047 0.9500 . ?
C047 C049 1.40(3) . ?
C048 H048 0.9500 . ?
C049 H049 0.9500 . ?
C04A H04A 0.9900 . ?
C04A H04B 0.9900 . ?
C04A C04K 1.51(3) . ?
C04B H04C 0.9500 . ?
C04C H04D 0.9500 . ?
C04D H04E 0.9500 . ?
C04D C04I 1.37(3) . ?
C04E H04F 0.9500 . ?
C04F H04H 1.0000 . ?
C04G H04G 1.0000 . ?
C04I H04I 0.9500 . ?
C04K H04J 0.9900 . ?
C04K H04K 0.9900 . ?
C04K C04N 1.53(3) . ?
C04L H04L 0.9900 . ?
C04L H04M 0.9900 . ?
C04L C04M 1.52(3) . ?
C04M H04N 0.9900 . ?
C04M H04P 0.9900 . ?
C04N H04Q 1.0000 . ?
C04O H04O 0.9500 . ?

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
Ag02 Ag01 Ag06 88.02(4) . . ?
Ag07 Ag01 Ag02 61.50(4) . . ?
Ag07 Ag01 Ag06 53.08(3) . . ?
Ag09 Ag01 Ag02 65.20(4) . . ?
Ag09 Ag01 Ag06 65.26(4) . . ?
Ag09 Ag01 Ag07 95.56(5) . . ?
S00J Ag01 Ag02 50.69(9) . . ?
S00J Ag01 Ag06 137.27(10) . . ?
S00J Ag01 Ag07 104.21(10) . . ?
S00J Ag01 Ag09 84.84(9) . . ?
S00J Ag01 S00X 125.44(13) . . ?
S00X Ag01 Ag02 107.96(10) . . ?
S00X Ag01 Ag06 72.10(9) . . ?
S00X Ag01 Ag07 51.16(9) . . ?
S00X Ag01 Ag09 136.83(10) . . ?
N02N Ag01 Ag02 150.5(3) . . ?
N02N Ag01 Ag06 81.6(3) . . ?
N02N Ag01 Ag07 127.9(3) . . ?
N02N Ag01 Ag09 85.4(3) . . ?
N02N Ag01 S00J 127.6(3) . . ?
N02N Ag01 S00X 95.1(3) . . ?
Ag01 Ag02 Ag09 52.40(3) . . ?
Ag07 Ag02 Ag01 56.81(4) . . ?
Ag07 Ag02 Ag09 85.00(4) . . ?
Ag0B Ag02 Ag01 96.09(5) . . ?
Ag0B Ag02 Ag07 67.71(4) . . ?
Ag0B Ag02 Ag09 66.22(4) . . ?
S00F Ag02 Ag01 101.52(9) . . ?
S00F Ag02 Ag07 50.42(9) . . ?
S00F Ag02 Ag09 133.09(10) . . ?
S00F Ag02 Ag0B 81.70(9) . . ?
S00F Ag02 S00J 119.43(13) . . ?
S00J Ag02 Ag01 48.78(9) . . ?
S00J Ag02 Ag07 98.41(9) . . ?
S00J Ag02 Ag09 75.34(9) . . ?
S00J Ag02 Ag0B 139.78(10) . . ?
N016 Ag02 Ag01 126.5(4) . . ?
N016 Ag02 Ag07 149.8(4) . . ?
N016 Ag02 Ag09 79.6(4) . . ?
N016 Ag02 Ag0B 82.3(4) . . ?
N016 Ag02 S00F 130.5(4) . . ?
N016 Ag02 S00J 102.6(4) . . ?
Ag05 Ag03 Ag08 65.52(4) . . ?
Ag05 Ag03 Ag0C 93.15(5) . . ?
Ag0C Ag03 Ag08 55.24(3) . . ?
S00M Ag03 Ag05 139.52(10) . . ?
S00M Ag03 Ag08 77.25(9) . . ?
S00M Ag03 Ag0C 50.79(9) . . ?
S00W Ag03 Ag05 78.04(10) . . ?
S00W Ag03 Ag08 131.88(10) . . ?
S00W Ag03 Ag0C 98.99(10) . . ?
S00W Ag03 S00M 120.18(13) . . ?
N01K Ag03 Ag05 82.6(3) . . ?
N01K Ag03 Ag08 80.4(3) . . ?
N01K Ag03 Ag0C 132.1(3) . . ?
N01K Ag03 S00M 107.1(4) . . ?
N01K Ag03 S00W 126.0(4) . . ?
Ag0A Ag04 Ag0C 61.85(4) . . ?
S00N Ag04 Ag0A 81.57(10) . . ?
S00N Ag04 Ag0C 125.99(10) . . ?
S00N Ag04 S00T 115.60(13) . . ?
S00T Ag04 Ag0A 132.08(10) . . ?
S00T Ag04 Ag0C 73.06(9) . . ?
N021 Ag04 Ag0A 82.2(3) . . ?
N021 Ag04 Ag0C 79.0(3) . . ?
N021 Ag04 S00N 136.5(3) . . ?
N021 Ag04 S00T 105.2(3) . . ?
Ag03 Ag05 Ag08 60.89(4) . . ?
S00E Ag05 Ag03 81.85(10) . . ?
S00E Ag05 Ag08 49.20(9) . . ?
S00E Ag05 S00N 124.91(14) . . ?
S00N Ag05 Ag03 132.14(10) . . ?
S00N Ag05 Ag08 104.36(10) . . ?
N015 Ag05 Ag03 84.9(3) . . ?
N015 Ag05 Ag08 145.3(3) . . ?
N015 Ag05 S00E 125.3(4) . . ?
N015 Ag05 S00N 102.9(4) . . ?
Ag07 Ag06 Ag01 58.00(4) . . ?
S00L Ag06 Ag01 70.32(9) . . ?
S00L Ag06 Ag07 127.00(10) . . ?
S00O Ag06 Ag01 126.49(10) . . ?
S00O Ag06 Ag07 81.17(10) . . ?
S00O Ag06 S00L 126.31(14) . . ?
N01T Ag06 Ag01 83.4(3) . . ?
N01T Ag06 Ag07 84.4(3) . . ?
N01T Ag06 S00L 101.5(3) . . ?
N01T Ag06 S00O 128.6(3) . . ?
Ag01 Ag07 Ag02 61.70(4) . . ?
Ag06 Ag07 Ag01 68.93(4) . . ?
Ag06 Ag07 Ag02 97.14(5) . . ?
S00F Ag07 Ag01 104.82(10) . . ?
S00F Ag07 Ag02 49.12(9) . . ?
S00F Ag07 Ag06 137.17(10) . . ?
S00X Ag07 Ag01 52.86(9) . . ?
S00X Ag07 Ag02 109.68(10) . . ?
S00X Ag07 Ag06 82.29(10) . . ?
S00X Ag07 S00F 129.19(13) . . ?
N022 Ag07 Ag01 150.1(3) . . ?
N022 Ag07 Ag02 126.7(4) . . ?
N022 Ag07 Ag06 81.2(3) . . ?
N022 Ag07 S00F 98.3(4) . . ?
N022 Ag07 S00X 122.7(4) . . ?
Ag03 Ag08 Ag05 53.59(4) . . ?
Ag0C Ag08 Ag03 61.43(4) . . ?
Ag0C Ag08 Ag05 89.51(4) . . ?
S00E Ag08 Ag03 75.98(9) . . ?
S00E Ag08 Ag05 47.57(10) . . ?
S00E Ag08 Ag0C 133.25(10) . . ?
S00T Ag08 Ag03 129.04(10) . . ?
S00T Ag08 Ag05 97.45(10) . . ?
S00T Ag08 Ag0C 80.03(9) . . ?
S00T Ag08 S00E 117.46(13) . . ?
N012 Ag08 Ag03 79.3(4) . . ?
N012 Ag08 Ag05 128.5(4) . . ?
N012 Ag08 Ag0C 84.1(4) . . ?
N012 Ag08 S00E 107.1(4) . . ?
N012 Ag08 S00T 131.1(4) . . ?
Ag01 Ag09 Ag02 62.39(4) . . ?
S00D Ag09 Ag01 133.40(10) . . ?
S00D Ag09 Ag02 73.17(9) . . ?
S00L Ag09 Ag01 80.28(10) . . ?
S00L Ag09 Ag02 131.06(10) . . ?
S00L Ag09 S00D 123.88(13) . . ?
N01J Ag09 Ag01 81.9(3) . . ?
N01J Ag09 Ag02 77.8(3) . . ?
N01J Ag09 S00D 102.6(3) . . ?
N01J Ag09 S00L 129.2(3) . . ?
Ag04 Ag0A Ag0C 64.94(4) . . ?
S00P Ag0A Ag04 84.43(10) . . ?
S00P Ag0A Ag0C 51.02(10) . . ?
S00P Ag0A S00W 121.40(13) . . ?
S00W Ag0A Ag04 130.59(11) . . ?
S00W Ag0A Ag0C 97.60(10) . . ?
N039 Ag0A Ag04 83.0(3) . . ?
N039 Ag0A Ag0C 147.4(3) . . ?
N039 Ag0A S00P 134.8(4) . . ?
N039 Ag0A S00W 99.3(4) . . ?
S00D Ag0B Ag02 82.00(9) . . ?
S00D Ag0B S00O 122.11(13) . . ?
S00O Ag0B Ag02 129.86(10) . . ?
N011 Ag0B Ag02 84.6(3) . . ?
N011 Ag0B S00D 133.6(4) . . ?
N011 Ag0B S00O 100.3(4) . . ?
Ag03 Ag0C Ag04 92.19(5) . . ?
Ag03 Ag0C Ag0A 67.10(4) . . ?
Ag08 Ag0C Ag03 63.33(4) . . ?
Ag08 Ag0C Ag04 70.83(4) . . ?
Ag08 Ag0C Ag0A 100.31(5) . . ?
Ag0A Ag0C Ag04 53.22(4) . . ?
S00M Ag0C Ag03 52.16(9) . . ?
S00M Ag0C Ag04 143.17(10) . . ?
S00M Ag0C Ag08 83.09(9) . . ?
S00M Ag0C Ag0A 109.50(10) . . ?
S00M Ag0C S00P 120.08(13) . . ?
S00P Ag0C Ag03 108.45(10) . . ?
S00P Ag0C Ag04 75.91(9) . . ?
S00P Ag0C Ag08 145.09(10) . . ?
S00P Ag0C Ag0A 49.40(9) . . ?
N01Z Ag0C Ag03 144.0(4) . . ?
N01Z Ag0C Ag04 80.1(3) . . ?
N01Z Ag0C Ag08 81.0(4) . . ?
N01Z Ag0C Ag0A 128.3(3) . . ?
N01Z Ag0C S00M 121.8(4) . . ?
N01Z Ag0C S00P 103.7(4) . . ?
Ag0B S00D Ag09 86.52(12) . . ?
C01B S00D Ag09 102.7(6) . . ?
C01B S00D Ag0B 105.2(6) . . ?
Ag05 S00E Ag08 83.23(12) . . ?
C01I S00E Ag05 105.3(5) . . ?
C01I S00E Ag08 101.6(5) . . ?
Ag02 S00F Ag07 80.46(12) . . ?
C027 S00F Ag02 107.7(6) . . ?
C027 S00F Ag07 106.6(6) . . ?
C01B S00G C037 101.6(8) . . ?
C01I S00H C01Q 102.7(8) . . ?
C04H S00I C01N 102.8(8) . . ?
Ag01 S00J Ag02 80.53(12) . . ?
C036 S00J Ag01 105.7(5) . . ?
C036 S00J Ag02 101.6(6) . . ?
C027 S00K C03H 102.1(8) . . ?
Ag09 S00L Ag06 85.98(12) . . ?
C04J S00L Ag06 101.8(6) . . ?
C04J S00L Ag09 108.4(6) . . ?
Ag0C S00M Ag03 77.05(11) . . ?
C02F S00M Ag03 103.1(6) . . ?
C02F S00M Ag0C 105.5(5) . . ?
Ag04 S00N Ag05 87.58(13) . . ?
C03T S00N Ag04 105.1(6) . . ?
C03T S00N Ag05 104.8(6) . . ?
Ag06 S00O Ag0B 88.66(14) . . ?
C038 S00O Ag06 104.7(6) . . ?
C038 S00O Ag0B 103.9(6) . . ?
Ag0A S00P Ag0C 79.58(11) . . ?
C04H S00P Ag0A 104.5(5) . . ?
C04H S00P Ag0C 103.7(5) . . ?
C02D S00Q C04L 100.9(10) . . ?
C03Y S00R C03V 102.4(8) . . ?
C038 S00S C02L 101.7(9) . . ?
Ag08 S00T Ag04 91.15(14) . . ?
C03U S00T Ag04 99.3(6) . . ?
C03U S00T Ag08 105.6(7) . . ?
C036 S00U C02B 101.8(8) . . ?
C02F S00V C02Q 103.2(8) . . ?
Ag03 S00W Ag0A 88.11(13) . . ?
C02D S00W Ag03 108.9(7) . . ?
C02D S00W Ag0A 107.7(6) . . ?
Ag07 S00X Ag01 75.98(11) . . ?
C03Y S00X Ag01 108.2(6) . . ?
C03Y S00X Ag07 108.0(6) . . ?
C04J S00Y C031 99.5(8) . . ?
C03T S00Z C02R 103.4(9) . . ?
C03U S010 C04A 104.8(10) . . ?
C027 N011 Ag0B 120.1(11) . . ?
C027 N011 C03C 122.5(14) . . ?
C03C N011 Ag0B 115.2(10) . . ?
C01V N012 Ag08 114.0(10) . . ?
C02F N012 Ag08 124.6(11) . . ?
C02F N012 C01V 121.4(14) . . ?
C02T C013 C029 121.8(16) . . ?
C02T C013 C03Q 116.6(18) . . ?
C03Q C013 C029 121.6(18) . . ?
C01F C014 H014 120.5 . . ?
C01R C014 H014 120.5 . . ?
C01R C014 C01F 118.9(18) . . ?
C02D N015 Ag05 117.1(11) . . ?
C02D N015 C03X 124.2(16) . . ?
C03X N015 Ag05 115.5(11) . . ?
C01B N016 Ag02 123.0(11) . . ?
C01B N016 C042 123.6(14) . . ?
C042 N016 Ag02 112.6(10) . . ?
C02Z C017 C035 122.1(18) . . ?
C02Z C017 C044 119.8(17) . . ?
C035 C017 C044 118.1(16) . . ?
C01W C018 H018 119.6 . . ?
C03W C018 H018 119.6 . . ?
C03W C018 C01W 121(2) . . ?
C02C C019 C03B 118.3(17) . . ?
C02C C019 C040 121.9(16) . . ?
C03B C019 C040 119.4(16) . . ?
C02A C01A C02M 118.8(16) . . ?
C02A C01A C04F 120.2(16) . . ?
C02M C01A C04F 121.0(15) . . ?
S00G C01B S00D 110.3(9) . . ?
N016 C01B S00D 122.2(13) . . ?
N016 C01B S00G 127.5(12) . . ?
C01X C01C H01C 119.2 . . ?
C020 C01C H01C 119.2 . . ?
C020 C01C C01X 122(2) . . ?
C01F C01D H01D 120.4 . . ?
C01F C01D C045 119.1(18) . . ?
C045 C01D H01D 120.4 . . ?
C023 C01E H01E 120.7 . . ?
C023 C01E C026 118.6(19) . . ?
C026 C01E H01E 120.7 . . ?
C014 C01F H01F 119.1 . . ?
C01D C01F C014 121.9(17) . . ?
C01D C01F H01F 119.1 . . ?
C01H C01G H01G 119.3 . . ?
C01H C01G C032 121.3(17) . . ?
C032 C01G H01G 119.3 . . ?
C01G C01H H01H 119.6 . . ?
C01G C01H C03M 120.9(17) . . ?
C03M C01H H01H 119.6 . . ?
S00E C01I S00H 109.0(9) . . ?
N01K C01I S00E 124.1(12) . . ?
N01K C01I S00H 126.9(12) . . ?
C036 N01J Ag09 125.6(11) . . ?
C036 N01J C044 121.8(14) . . ?
C044 N01J Ag09 111.9(10) . . ?
C01I N01K Ag03 121.7(10) . . ?
C01I N01K C029 122.6(14) . . ?
C029 N01K Ag03 114.9(10) . . ?
C01U C01L H01L 119.5 . . ?
C01U C01L C03G 121.0(19) . . ?
C03G C01L H01L 119.5 . . ?
C025 C01M H01M 118.8 . . ?
C025 C01M C02P 122.3(19) . . ?
C02P C01M H01M 118.8 . . ?
S00I C01N H01I 109.3 . . ?
S00I C01N H01J 109.3 . . ?
H01I C01N H01J 108.0 . . ?
C02Y C01N S00I 111.4(12) . . ?
C02Y C01N H01I 109.3 . . ?
C02Y C01N H01J 109.3 . . ?
C03A C01O C03X 121.6(19) . . ?
C03A C01O C04B 118(2) . . ?
C04B C01O C03X 120.0(18) . . ?
H01A C01P H01B 108.0 . . ?
C031 C01P H01A 109.4 . . ?
C031 C01P H01B 109.4 . . ?
C031 C01P C040 111.1(14) . . ?
C040 C01P H01A 109.4 . . ?
C040 C01P H01B 109.4 . . ?
S00H C01Q H01K 109.2 . . ?
S00H C01Q H01N 109.2 . . ?
H01K C01Q H01N 107.9 . . ?
C03K C01Q S00H 112.0(11) . . ?
C03K C01Q H01K 109.2 . . ?
C03K C01Q H01N 109.2 . . ?
C014 C01R H01R 119.8 . . ?
C014 C01R C02S 120.4(19) . . ?
C02S C01R H01R 119.8 . . ?
C023 C01S C01V 121.0(17) . . ?
C04E C01S C01V 120.3(17) . . ?
C04E C01S C023 118.7(18) . . ?
C03N N01T Ag06 114.1(10) . . ?
C03Y N01T Ag06 120.4(10) . . ?
C03Y N01T C03N 123.1(14) . . ?
C01L C01U H01U 119.9 . . ?
C01L C01U C025 120(2) . . ?
C025 C01U H01U 119.9 . . ?
N012 C01V C01S 110.6(14) . . ?
N012 C01V H01V 108.0 . . ?
N012 C01V C02V 110.8(14) . . ?
C01S C01V H01V 108.0 . . ?
C01S C01V C02V 111.4(15) . . ?
C02V C01V H01V 108.0 . . ?
C018 C01W H01W 121.1 . . ?
C018 C01W C03A 118(2) . . ?
C03A C01W H01W 121.1 . . ?
C01C C01X H01X 120.4 . . ?
C01C C01X C03O 119(2) . . ?
C03O C01X H01X 120.4 . . ?
C024 C01Y C032 120.0(17) . . ?
C024 C01Y C03N 120.8(16) . . ?
C032 C01Y C03N 119.1(17) . . ?
C03U N01Z Ag0C 120.9(12) . . ?
C03U N01Z C04N 122.4(16) . . ?
C04N N01Z Ag0C 114.6(12) . . ?
C01C C020 H020 121.1 . . ?
C04C C020 C01C 118(2) . . ?
C04C C020 H020 121.1 . . ?
C04F N021 Ag04 112.0(9) . . ?
C04H N021 Ag04 125.3(10) . . ?
C04H N021 C04F 122.6(13) . . ?
C038 N022 Ag07 121.3(12) . . ?
C038 N022 C04G 124.5(15) . . ?
C04G N022 Ag07 111.0(11) . . ?
C01E C023 C01S 122(2) . . ?
C01E C023 H023 118.9 . . ?
C01S C023 H023 118.9 . . ?
C01Y C024 H024 119.8 . . ?
C01Y C024 C03M 120.3(17) . . ?
C03M C024 H024 119.8 . . ?
C01M C025 C01U 118(2) . . ?
C01M C025 H025 121.2 . . ?
C01U C025 H025 121.2 . . ?
C01E C026 H026 119.3 . . ?
C03S C026 C01E 121(2) . . ?
C03S C026 H026 119.3 . . ?
S00F C027 S00K 107.8(9) . . ?
N011 C027 S00F 124.5(13) . . ?
N011 C027 S00K 127.6(13) . . ?
C02J C028 H028 121.1 . . ?
C02J C028 C02M 117.8(18) . . ?
C02M C028 H028 121.1 . . ?
C013 C029 H029 108.9 . . ?
N01K C029 C013 108.7(14) . . ?
N01K C029 H029 108.9 . . ?
N01K C029 C03K 111.4(14) . . ?
C03K C029 C013 110.0(15) . . ?
C03K C029 H029 108.9 . . ?
C01A C02A H02J 120.0 . . ?
C01A C02A C03E 120.1(18) . . ?
C03E C02A H02J 120.0 . . ?
S00U C02B H02A 109.1 . . ?
S00U C02B H02B 109.1 . . ?
H02A C02B H02B 107.9 . . ?
C03I C02B S00U 112.3(13) . . ?
C03I C02B H02A 109.1 . . ?
C03I C02B H02B 109.1 . . ?
C019 C02C H02C 119.8 . . ?
C019 C02C C02H 120.3(17) . . ?
C02H C02C H02C 119.8 . . ?
S00W C02D S00Q 108.9(11) . . ?
N015 C02D S00Q 128.0(15) . . ?
N015 C02D S00W 123.1(15) . . ?
C02H C02E H02E 120.8 . . ?
C02X C02E H02E 120.8 . . ?
C02X C02E C02H 118.4(18) . . ?
S00V C02F S00M 108.9(9) . . ?
N012 C02F S00M 123.5(13) . . ?
N012 C02F S00V 127.6(13) . . ?
C03F C02G H02K 118.9 . . ?
C03R C02G H02K 118.9 . . ?
C03R C02G C03F 122(2) . . ?
C02C C02H C02E 120.1(18) . . ?
C02C C02H H02H 119.9 . . ?
C02E C02H H02H 119.9 . . ?
H02D C02I H02F 108.0 . . ?
C02L C02I H02D 109.4 . . ?
C02L C02I H02F 109.4 . . ?
C04G C02I H02D 109.4 . . ?
C04G C02I H02F 109.4 . . ?
C04G C02I C02L 111.1(16) . . ?
C028 C02J H02L 119.4 . . ?
C03E C02J C028 121.2(17) . . ?
C03E C02J H02L 119.4 . . ?
C030 C02K H02M 119.9 . . ?
C030 C02K C03D 120(2) . . ?
C03D C02K H02M 119.9 . . ?
S00S C02L H02G 109.6 . . ?
S00S C02L H02I 109.6 . . ?
C02I C02L S00S 110.3(14) . . ?
C02I C02L H02G 109.6 . . ?
C02I C02L H02I 109.6 . . ?
H02G C02L H02I 108.1 . . ?
C01A C02M C028 121.7(17) . . ?
C01A C02M H02N 119.2 . . ?
C028 C02M H02N 119.2 . . ?
C040 N02N Ag01 114.3(10) . . ?
C04J N02N Ag01 118.2(10) . . ?
C04J N02N C040 125.7(13) . . ?
H02O C02O H02Q 107.9 . . ?
C02R C02O H02O 109.2 . . ?
C02R C02O H02Q 109.2 . . ?
C02R C02O C033 111.9(17) . . ?
C033 C02O H02O 109.2 . . ?
C033 C02O H02Q 109.2 . . ?
C01M C02P H02P 119.6 . . ?
C01M C02P C03G 121(2) . . ?
C03G C02P H02P 119.6 . . ?
S00V C02Q H02R 109.1 . . ?
S00V C02Q H02T 109.1 . . ?
H02R C02Q H02T 107.8 . . ?
C02V C02Q S00V 112.7(13) . . ?
C02V C02Q H02R 109.1 . . ?
C02V C02Q H02T 109.1 . . ?
S00Z C02R H02U 109.5 . . ?
S00Z C02R H02V 109.5 . . ?
C02O C02R S00Z 110.7(14) . . ?
C02O C02R H02U 109.5 . . ?
C02O C02R H02V 109.5 . . ?
H02U C02R H02V 108.1 . . ?
C01R C02S H02S 119.4 . . ?
C045 C02S C01R 121.2(18) . . ?
C045 C02S H02S 119.4 . . ?
C013 C02T H02W 119.6 . . ?
C013 C02T C03R 120.8(18) . . ?
C03R C02T H02W 119.6 . . ?
C034 C02U C041 117.1(18) . . ?
C034 C02U C04G 122.9(19) . . ?
C041 C02U C04G 119.9(18) . . ?
C01V C02V H02Y 109.0 . . ?
C01V C02V H 109.0 . . ?
C02Q C02V C01V 112.8(16) . . ?
C02Q C02V H02Y 109.0 . . ?
C02Q C02V H 109.0 . . ?
H02Y C02V H 107.8 . . ?
C03D C02W H02 122.3 . . ?
C03D C02W C04D 115(2) . . ?
C04D C02W H02 122.3 . . ?
C02E C02X H02X 119.3 . . ?
C03B C02X C02E 121.3(18) . . ?
C03B C02X H02X 119.3 . . ?
C01N C02Y H1 109.3 . . ?
C01N C02Y HA 109.3 . . ?
H1 C02Y HA 107.9 . . ?
C04F C02Y C01N 111.8(14) . . ?
C04F C02Y H1 109.3 . . ?
C04F C02Y HA 109.3 . . ?
C017 C02Z H02Z 119.6 . . ?
C017 C02Z C04O 120.8(19) . . ?
C04O C02Z H02Z 119.6 . . ?
C02K C030 C033 121.3(18) . . ?
C02K C030 C04I 120(2) . . ?
C04I C030 C033 118.4(19) . . ?
S00Y C031 H03A 109.4 . . ?
S00Y C031 H03B 109.4 . . ?
C01P C031 S00Y 111.0(13) . . ?
C01P C031 H03A 109.4 . . ?
C01P C031 H03B 109.4 . . ?
H03A C031 H03B 108.0 . . ?
C01G C032 C01Y 119.4(18) . . ?
C01G C032 H032 120.3 . . ?
C01Y C032 H032 120.3 . . ?
C02O C033 H033 108.3 . . ?
C030 C033 C02O 114.2(17) . . ?
C030 C033 H033 108.3 . . ?
C030 C033 N039 108.6(16) . . ?
N039 C033 C02O 109.0(15) . . ?
N039 C033 H033 108.3 . . ?
C02U C034 H034 118.4 . . ?
C02U C034 C047 123(2) . . ?
C047 C034 H034 118.4 . . ?
C017 C035 H035 120.7 . . ?
C017 C035 C048 118.7(18) . . ?
C048 C035 H035 120.7 . . ?
S00J C036 S00U 109.7(10) . . ?
N01J C036 S00J 122.4(13) . . ?
N01J C036 S00U 127.9(13) . . ?
S00G C037 H03C 109.2 . . ?
S00G C037 H03D 109.2 . . ?
H03C C037 H03D 107.9 . . ?
C03L C037 S00G 112.0(14) . . ?
C03L C037 H03C 109.2 . . ?
C03L C037 H03D 109.2 . . ?
S00O C038 S00S 109.0(9) . . ?
N022 C038 S00O 122.7(13) . . ?
N022 C038 S00S 128.3(14) . . ?
C033 N039 Ag0A 111.9(10) . . ?
C03T N039 Ag0A 122.5(12) . . ?
C03T N039 C033 123.2(16) . . ?
C01O C03A C01W 121.3(19) . . ?
C01O C03A H03U 119.3 . . ?
C01W C03A H03U 119.3 . . ?
C019 C03B H03E 119.3 . . ?
C02X C03B C019 121.5(18) . . ?
C02X C03B H03E 119.3 . . ?
N011 C03C H03F 108.2 . . ?
N011 C03C C03G 111.6(15) . . ?
N011 C03C C03P 111.8(14) . . ?
C03G C03C H03F 108.2 . . ?
C03G C03C C03P 108.7(15) . . ?
C03P C03C H03F 108.2 . . ?
C02K C03D C02W 122(2) . . ?
C02K C03D H03V 119.0 . . ?
C02W C03D H03V 119.0 . . ?
C02A C03E H03W 119.9 . . ?
C02J C03E C02A 120.2(18) . . ?
C02J C03E H03W 119.9 . . ?
C02G C03F H03X 119.1 . . ?
C03Q C03F C02G 122(2) . . ?
C03Q C03F H03X 119.1 . . ?
C01L C03G C03C 120.5(17) . . ?
C02P C03G C01L 118.0(18) . . ?
C02P C03G C03C 121.0(18) . . ?
S00K C03H H03G 109.2 . . ?
S00K C03H H03H 109.2 . . ?
H03G C03H H03H 107.9 . . ?
C03P C03H S00K 111.8(14) . . ?
C03P C03H H03G 109.2 . . ?
C03P C03H H03H 109.2 . . ?
C02B C03I H03I 109.3 . . ?
C02B C03I H03J 109.3 . . ?
C02B C03I C044 111.4(16) . . ?
H03I C03I H03J 108.0 . . ?
C044 C03I H03I 109.3 . . ?
C044 C03I H03J 109.3 . . ?
H03K C03J H03L 107.9 . . ?
C03N C03J H03K 109.3 . . ?
C03N C03J H03L 109.3 . . ?
C03N C03J C03V 111.7(15) . . ?
C03V C03J H03K 109.3 . . ?
C03V C03J H03L 109.3 . . ?
C01Q C03K C029 112.0(16) . . ?
C01Q C03K H03Y 109.2 . . ?
C01Q C03K HB 109.2 . . ?
C029 C03K H03Y 109.2 . . ?
C029 C03K HB 109.2 . . ?
H03Y C03K HB 107.9 . . ?
C037 C03L H03M 109.8 . . ?
C037 C03L H03N 109.8 . . ?
C037 C03L C042 109.2(15) . . ?
H03M C03L H03N 108.3 . . ?
C042 C03L H03M 109.8 . . ?
C042 C03L H03N 109.8 . . ?
C01H C03M H03O 121.0 . . ?
C024 C03M C01H 118.0(18) . . ?
C024 C03M H03O 121.0 . . ?
N01T C03N C01Y 109.9(14) . . ?
N01T C03N C03J 110.0(14) . . ?
N01T C03N H03P 108.2 . . ?
C01Y C03N C03J 112.1(15) . . ?
C01Y C03N H03P 108.2 . . ?
C03J C03N H03P 108.2 . . ?
C01X C03O C04N 121(2) . . ?
C03Z C03O C01X 118.5(19) . . ?
C03Z C03O C04N 120.5(19) . . ?
C03C C03P H03Q 109.3 . . ?
C03C C03P H03R 109.3 . . ?
C03H C03P C03C 111.8(16) . . ?
C03H C03P H03Q 109.3 . . ?
C03H C03P H03R 109.3 . . ?
H03Q C03P H03R 107.9 . . ?
C013 C03Q H03Z 120.3 . . ?
C03F C03Q C013 119(2) . . ?
C03F C03Q H03Z 120.3 . . ?
C02G C03R C02T 119(2) . . ?
C02G C03R H03 120.5 . . ?
C02T C03R H03 120.5 . . ?
C026 C03S H2 120.9 . . ?
C026 C03S C04E 118(2) . . ?
C04E C03S H2 120.9 . . ?
S00N C03T S00Z 108.9(10) . . ?
N039 C03T S00N 123.4(14) . . ?
N039 C03T S00Z 127.6(15) . . ?
S010 C03U S00T 111.3(11) . . ?
N01Z C03U S00T 121.1(14) . . ?
N01Z C03U S010 127.6(14) . . ?
S00R C03V H03S 109.2 . . ?
S00R C03V H03T 109.2 . . ?
C03J C03V S00R 111.9(12) . . ?
C03J C03V H03S 109.2 . . ?
C03J C03V H03T 109.2 . . ?
H03S C03V H03T 107.9 . . ?
C018 C03W H3 119.7 . . ?
C018 C03W C04B 121(2) . . ?
C04B C03W H3 119.7 . . ?
N015 C03X C01O 110.6(17) . . ?
N015 C03X H4 107.3 . . ?
N015 C03X C04M 113.6(16) . . ?
C01O C03X H4 107.3 . . ?
C01O C03X C04M 110.4(17) . . ?
C04M C03X H4 107.3 . . ?
S00X C03Y S00R 107.6(9) . . ?
N01T C03Y S00R 127.8(12) . . ?
N01T C03Y S00X 124.5(12) . . ?
C03O C03Z H5 119.6 . . ?
C03O C03Z C04C 121(2) . . ?
C04C C03Z H5 119.6 . . ?
C019 C040 C01P 112.4(14) . . ?
C019 C040 H040 106.6 . . ?
C01P C040 H040 106.6 . . ?
N02N C040 C019 107.4(13) . . ?
N02N C040 C01P 116.5(14) . . ?
N02N C040 H040 106.6 . . ?
C02U C041 H041 119.0 . . ?
C046 C041 C02U 122(2) . . ?
C046 C041 H041 119.0 . . ?
N016 C042 C03L 113.0(14) . . ?
N016 C042 H042 108.0 . . ?
N016 C042 C045 106.2(14) . . ?
C03L C042 H042 108.0 . . ?
C045 C042 C03L 113.3(14) . . ?
C045 C042 H042 108.0 . . ?
C048 C043 H043 120.1 . . ?
C048 C043 C04O 119.9(19) . . ?
C04O C043 H043 120.1 . . ?
C017 C044 H044 107.8 . . ?
N01J C044 C017 107.5(13) . . ?
N01J C044 C03I 113.0(15) . . ?
N01J C044 H044 107.8 . . ?
C03I C044 C017 112.8(15) . . ?
C03I C044 H044 107.8 . . ?
C01D C045 C042 118.4(17) . . ?
C02S C045 C01D 118.3(17) . . ?
C02S C045 C042 123.2(16) . . ?
C041 C046 H046 119.3 . . ?
C041 C046 C049 121(2) . . ?
C049 C046 H046 119.3 . . ?
C034 C047 H047 121.0 . . ?
C049 C047 C034 118(2) . . ?
C049 C047 H047 121.0 . . ?
C035 C048 H048 119.9 . . ?
C043 C048 C035 120(2) . . ?
C043 C048 H048 119.9 . . ?
C046 C049 C047 118.5(19) . . ?
C046 C049 H049 120.8 . . ?
C047 C049 H049 120.8 . . ?
S010 C04A H04A 109.0 . . ?
S010 C04A H04B 109.0 . . ?
H04A C04A H04B 107.8 . . ?
C04K C04A S010 113.1(15) . . ?
C04K C04A H04A 109.0 . . ?
C04K C04A H04B 109.0 . . ?
C01O C04B C03W 121(2) . . ?
C01O C04B H04C 119.6 . . ?
C03W C04B H04C 119.6 . . ?
C020 C04C C03Z 122(2) . . ?
C020 C04C H04D 119.1 . . ?
C03Z C04C H04D 119.1 . . ?
C02W C04D H04E 119.4 . . ?
C04I C04D C02W 121(2) . . ?
C04I C04D H04E 119.4 . . ?
C01S C04E C03S 121.0(19) . . ?
C01S C04E H04F 119.5 . . ?
C03S C04E H04F 119.5 . . ?
C01A C04F C02Y 113.4(14) . . ?
C01A C04F H04H 108.5 . . ?
N021 C04F C01A 104.8(13) . . ?
N021 C04F C02Y 113.0(13) . . ?
N021 C04F H04H 108.5 . . ?
C02Y C04F H04H 108.5 . . ?
N022 C04G C02I 111.5(16) . . ?
N022 C04G H04G 107.9 . . ?
C02I C04G H04G 107.9 . . ?
C02U C04G N022 108.1(15) . . ?
C02U C04G C02I 113.5(16) . . ?
C02U C04G H04G 107.9 . . ?
S00P C04H S00I 109.6(8) . . ?
N021 C04H S00I 127.7(12) . . ?
N021 C04H S00P 122.8(11) . . ?
C030 C04I H04I 119.6 . . ?
C04D C04I C030 121(2) . . ?
C04D C04I H04I 119.6 . . ?
S00L C04J S00Y 110.1(9) . . ?
N02N C04J S00L 124.0(12) . . ?
N02N C04J S00Y 125.9(12) . . ?
C04A C04K H04J 108.2 . . ?
C04A C04K H04K 108.2 . . ?
C04A C04K C04N 116.2(17) . . ?
H04J C04K H04K 107.4 . . ?
C04N C04K H04J 108.2 . . ?
C04N C04K H04K 108.2 . . ?
S00Q C04L H04L 109.6 . . ?
S00Q C04L H04M 109.6 . . ?
H04L C04L H04M 108.1 . . ?
C04M C04L S00Q 110.4(16) . . ?
C04M C04L H04L 109.6 . . ?
C04M C04L H04M 109.6 . . ?
C03X C04M H04N 109.3 . . ?
C03X C04M H04P 109.3 . . ?
C04L C04M C03X 111.8(18) . . ?
C04L C04M H04N 109.3 . . ?
C04L C04M H04P 109.3 . . ?
H04N C04M H04P 107.9 . . ?
N01Z C04N C03O 107.6(15) . . ?
N01Z C04N C04K 114.5(17) . . ?
N01Z C04N H04Q 105.5 . . ?
C03O C04N H04Q 105.5 . . ?
C04K C04N C03O 117.2(17) . . ?
C04K C04N H04Q 105.5 . . ?
C02Z C04O C043 118.3(19) . . ?
C02Z C04O H04O 120.8 . . ?
C043 C04O H04O 120.8 . . ?

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
Ag01 S00J C036 S00U -154.4(6) . . . . ?
Ag01 S00J C036 N01J 26.5(15) . . . . ?
Ag01 S00X C03Y S00R 121.2(7) . . . . ?
Ag01 S00X C03Y N01T -60.6(16) . . . . ?
Ag01 N02N C040 C019 -62.4(14) . . . . ?
Ag01 N02N C040 C01P 170.5(12) . . . . ?
Ag01 N02N C04J S00L 21.7(18) . . . . ?
Ag01 N02N C04J S00Y -156.0(9) . . . . ?
Ag02 S00F C027 S00K -156.7(6) . . . . ?
Ag02 S00F C027 N011 22.0(17) . . . . ?
Ag02 S00J C036 S00U 122.4(7) . . . . ?
Ag02 S00J C036 N01J -56.8(14) . . . . ?
Ag02 N016 C01B S00D 11(2) . . . . ?
Ag02 N016 C01B S00G -168.7(10) . . . . ?
Ag02 N016 C042 C03L -161.4(13) . . . . ?
Ag02 N016 C042 C045 -36.6(16) . . . . ?
Ag03 S00M C02F S00V 134.8(7) . . . . ?
Ag03 S00M C02F N012 -44.8(15) . . . . ?
Ag03 S00W C02D S00Q -158.2(7) . . . . ?
Ag03 S00W C02D N015 21.3(18) . . . . ?
Ag03 N01K C029 C013 -32.5(17) . . . . ?
Ag03 N01K C029 C03K -153.8(12) . . . . ?
Ag04 S00N C03T S00Z -154.4(7) . . . . ?
Ag04 S00N C03T N039 24.7(18) . . . . ?
Ag04 S00T C03U S010 113.6(9) . . . . ?
Ag04 S00T C03U N01Z -67.4(16) . . . . ?
Ag04 N021 C04F C01A -31.5(15) . . . . ?
Ag04 N021 C04F C02Y -155.4(11) . . . . ?
Ag04 N021 C04H S00I -174.2(8) . . . . ?
Ag04 N021 C04H S00P 5(2) . . . . ?
Ag05 S00E C01I S00H -149.4(6) . . . . ?
Ag05 S00E C01I N01K 31.6(15) . . . . ?
Ag05 S00N C03T S00Z 114.1(8) . . . . ?
Ag05 S00N C03T N039 -66.8(18) . . . . ?
Ag05 N015 C02D S00Q -157.2(11) . . . . ?
Ag05 N015 C02D S00W 23(2) . . . . ?
Ag05 N015 C03X C01O -53.6(18) . . . . ?
Ag05 N015 C03X C04M -178.4(14) . . . . ?
Ag06 S00L C04J S00Y 107.9(8) . . . . ?
Ag06 S00L C04J N02N -70.1(15) . . . . ?
Ag06 S00O C038 S00S -154.1(7) . . . . ?
Ag06 S00O C038 N022 23.9(16) . . . . ?
Ag06 N01T C03N C01Y -35.9(17) . . . . ?
Ag06 N01T C03N C03J -159.8(11) . . . . ?
Ag06 N01T C03Y S00R -163.8(9) . . . . ?
Ag06 N01T C03Y S00X 18(2) . . . . ?
Ag07 S00F C027 S00K 118.3(7) . . . . ?
Ag07 S00F C027 N011 -63.0(16) . . . . ?
Ag07 S00X C03Y S00R -158.1(6) . . . . ?
Ag07 S00X C03Y N01T 20.1(16) . . . . ?
Ag07 N022 C038 S00O 21(2) . . . . ?
Ag07 N022 C038 S00S -161.0(10) . . . . ?
Ag07 N022 C04G C02I -169.9(12) . . . . ?
Ag07 N022 C04G C02U -44.5(17) . . . . ?
Ag08 S00E C01I S00H 124.5(7) . . . . ?
Ag08 S00E C01I N01K -54.5(15) . . . . ?
Ag08 S00T C03U S010 -152.5(8) . . . . ?
Ag08 S00T C03U N01Z 26.4(17) . . . . ?
Ag08 N012 C01V C01S -15.6(18) . . . . ?
Ag08 N012 C01V C02V -139.6(12) . . . . ?
Ag08 N012 C02F S00M -1(2) . . . . ?
Ag08 N012 C02F S00V 179.0(8) . . . . ?
Ag09 S00D C01B S00G 120.6(8) . . . . ?
Ag09 S00D C01B N016 -59.1(17) . . . . ?
Ag09 S00L C04J S00Y -162.4(6) . . . . ?
Ag09 S00L C04J N02N 19.6(16) . . . . ?
Ag09 N01J C036 S00J 11(2) . . . . ?
Ag09 N01J C036 S00U -168.4(8) . . . . ?
Ag09 N01J C044 C017 -32.4(15) . . . . ?
Ag09 N01J C044 C03I -157.6(11) . . . . ?
Ag0A S00P C04H S00I -149.0(7) . . . . ?
Ag0A S00P C04H N021 31.5(15) . . . . ?
Ag0A S00W C02D S00Q 107.6(8) . . . . ?
Ag0A S00W C02D N015 -72.9(17) . . . . ?
Ag0A N039 C03T S00N 17(2) . . . . ?
Ag0A N039 C03T S00Z -164.1(10) . . . . ?
Ag0B S00D C01B S00G -149.6(8) . . . . ?
Ag0B S00D C01B N016 30.7(17) . . . . ?
Ag0B S00O C038 S00S 113.6(8) . . . . ?
Ag0B S00O C038 N022 -68.4(15) . . . . ?
Ag0B N011 C027 S00F 17(2) . . . . ?
Ag0B N011 C027 S00K -164.3(9) . . . . ?
Ag0B N011 C03C C03G -40.3(19) . . . . ?
Ag0B N011 C03C C03P -162.3(12) . . . . ?
Ag0C S00M C02F S00V -145.2(6) . . . . ?
Ag0C S00M C02F N012 35.2(16) . . . . ?
Ag0C S00P C04H S00I 128.4(7) . . . . ?
Ag0C S00P C04H N021 -51.1(15) . . . . ?
Ag0C N01Z C03U S00T 21(2) . . . . ?
Ag0C N01Z C03U S010 -160.6(10) . . . . ?
Ag0C N01Z C04N C03O -96.5(16) . . . . ?
Ag0C N01Z C04N C04K 131.3(15) . . . . ?
S00E C01I N01K Ag03 9(2) . . . . ?
S00E C01I N01K C029 178.3(13) . . . . ?
S00G C037 C03L C042 63(2) . . . . ?
S00H C01I N01K Ag03 -169.7(8) . . . . ?
S00H C01I N01K C029 0(2) . . . . ?
S00H C01Q C03K C029 57.2(19) . . . . ?
S00I C01N C02Y C04F 60.8(18) . . . . ?
S00K C03H C03P C03C 59(2) . . . . ?
S00Q C04L C04M C03X 64(2) . . . . ?
S00U C02B C03I C044 59.8(19) . . . . ?
S00V C02Q C02V C01V 50.0(19) . . . . ?
S010 C04A C04K C04N -46(2) . . . . ?
N011 C03C C03G C01L -50(2) . . . . ?
N011 C03C C03G C02P 137.6(18) . . . . ?
N011 C03C C03P C03H -65(2) . . . . ?
N012 C01V C02V C02Q -67.4(19) . . . . ?
C013 C029 C03K C01Q 173.1(15) . . . . ?
C013 C02T C03R C02G 0(3) . . . . ?
C014 C01R C02S C045 5(3) . . . . ?
N015 C03X C04M C04L -57(2) . . . . ?
N016 C042 C045 C01D 105.6(17) . . . . ?
N016 C042 C045 C02S -70(2) . . . . ?
C017 C02Z C04O C043 3(3) . . . . ?
C017 C035 C048 C043 -1(3) . . . . ?
C018 C01W C03A C01O 3(3) . . . . ?
C018 C03W C04B C01O -3(4) . . . . ?
C019 C02C C02H C02E -2(3) . . . . ?
C01A C02A C03E C02J -4(3) . . . . ?
C01B S00G C037 C03L -33.5(17) . . . . ?
C01B N016 C042 C03L 29(3) . . . . ?
C01B N016 C042 C045 153.7(17) . . . . ?
C01C C01X C03O C03Z 4(3) . . . . ?
C01C C01X C03O C04N 177.1(18) . . . . ?
C01C C020 C04C C03Z 1(3) . . . . ?
C01E C026 C03S C04E 0(3) . . . . ?
C01F C014 C01R C02S -2(3) . . . . ?
C01F C01D C045 C02S 0(2) . . . . ?
C01F C01D C045 C042 -176.3(15) . . . . ?
C01G C01H C03M C024 -1(3) . . . . ?
C01H C01G C032 C01Y -1(3) . . . . ?
C01I S00H C01Q C03K -21.3(16) . . . . ?
C01I N01K C029 C013 157.6(16) . . . . ?
C01I N01K C029 C03K 36(2) . . . . ?
N01K C029 C03K C01Q -66(2) . . . . ?
C01L C01U C025 C01M -2(3) . . . . ?
C01M C02P C03G C01L 0(3) . . . . ?
C01M C02P C03G C03C 172.4(18) . . . . ?
C01N S00I C04H S00P 179.7(9) . . . . ?
C01N S00I C04H N021 -0.8(18) . . . . ?
C01N C02Y C04F C01A -180.0(15) . . . . ?
C01N C02Y C04F N021 -60.9(19) . . . . ?
C01O C03X C04M C04L 178.0(17) . . . . ?
C01Q S00H C01I S00E 174.2(9) . . . . ?
C01Q S00H C01I N01K -6.8(18) . . . . ?
C01R C014 C01F C01D -2(3) . . . . ?
C01R C02S C045 C01D -4(3) . . . . ?
C01R C02S C045 C042 172.2(16) . . . . ?
C01S C01V C02V C02Q 169.1(15) . . . . ?
C01U C01L C03G C02P 2(3) . . . . ?
C01U C01L C03G C03C -171.2(18) . . . . ?
C01V N012 C02F S00M 176.3(12) . . . . ?
C01V N012 C02F S00V -3(2) . . . . ?
C01V C01S C023 C01E 178.6(18) . . . . ?
C01V C01S C04E C03S 179.3(18) . . . . ?
C01W C018 C03W C04B 2(4) . . . . ?
C01X C01C C020 C04C -3(3) . . . . ?
C01X C03O C03Z C04C -6(3) . . . . ?
C01X C03O C04N N01Z -76(2) . . . . ?
C01X C03O C04N C04K 55(3) . . . . ?
C01Y C024 C03M C01H 3(3) . . . . ?
C020 C01C C01X C03O 0(3) . . . . ?
C023 C01E C026 C03S -2(3) . . . . ?
C023 C01S C01V N012 115.0(19) . . . . ?
C023 C01S C01V C02V -121.4(19) . . . . ?
C023 C01S C04E C03S 1(3) . . . . ?
C024 C01Y C032 C01G 2(3) . . . . ?
C024 C01Y C03N N01T -45(2) . . . . ?
C024 C01Y C03N C03J 78(2) . . . . ?
C025 C01M C02P C03G -2(3) . . . . ?
C026 C01E C023 C01S 4(3) . . . . ?
C026 C03S C04E C01S 0(3) . . . . ?
C027 S00K C03H C03P -25.5(18) . . . . ?
C027 N011 C03C C03G 156.4(17) . . . . ?
C027 N011 C03C C03P 34(2) . . . . ?
C028 C02J C03E C02A 6(3) . . . . ?
C029 C013 C02T C03R -178.7(16) . . . . ?
C029 C013 C03Q C03F 177.7(18) . . . . ?
C02A C01A C02M C028 -1(3) . . . . ?
C02A C01A C04F N021 118.6(17) . . . . ?
C02A C01A C04F C02Y -117.7(19) . . . . ?
C02B S00U C036 S00J 177.2(9) . . . . ?
C02B S00U C036 N01J -3.8(18) . . . . ?
C02B C03I C044 C017 173.9(15) . . . . ?
C02B C03I C044 N01J -63.9(19) . . . . ?
C02C C019 C03B C02X 0(3) . . . . ?
C02C C019 C040 C01P 52(2) . . . . ?
C02C C019 C040 N02N -77.9(19) . . . . ?
C02D S00Q C04L C04M -36.3(18) . . . . ?
C02D N015 C03X C01O 147.3(18) . . . . ?
C02D N015 C03X C04M 22(3) . . . . ?
C02E C02X C03B C019 -1(3) . . . . ?
C02F S00V C02Q C02V -12.8(16) . . . . ?
C02F N012 C01V C01S 166.4(16) . . . . ?
C02F N012 C01V C02V 42(2) . . . . ?
C02G C03F C03Q C013 2(3) . . . . ?
C02H C02E C02X C03B 0(3) . . . . ?
C02J C028 C02M C01A 2(3) . . . . ?
C02K C030 C033 C02O 63(3) . . . . ?
C02K C030 C033 N039 -59(2) . . . . ?
C02K C030 C04I C04D -1(3) . . . . ?
C02L S00S C038 S00O -177.5(10) . . . . ?
C02L S00S C038 N022 4.5(19) . . . . ?
C02L C02I C04G N022 -61(2) . . . . ?
C02L C02I C04G C02U 176.6(17) . . . . ?
C02M C01A C02A C03E 2(3) . . . . ?
C02M C01A C04F N021 -60(2) . . . . ?
C02M C01A C04F C02Y 63(2) . . . . ?
C02M C028 C02J C03E -5(3) . . . . ?
C02O C033 N039 Ag0A -159.5(13) . . . . ?
C02O C033 N039 C03T 38(2) . . . . ?
C02P C01M C025 C01U 3(3) . . . . ?
C02Q S00V C02F S00M 168.8(9) . . . . ?
C02Q S00V C02F N012 -11.7(18) . . . . ?
C02R S00Z C03T S00N 174.3(10) . . . . ?
C02R S00Z C03T N039 -5(2) . . . . ?
C02R C02O C033 C030 171.1(17) . . . . ?
C02R C02O C033 N039 -67(2) . . . . ?
C02T C013 C029 N01K -46(2) . . . . ?
C02T C013 C029 C03K 76(2) . . . . ?
C02T C013 C03Q C03F -1(3) . . . . ?
C02U C034 C047 C049 1(3) . . . . ?
C02U C041 C046 C049 0(3) . . . . ?
C02W C04D C04I C030 0(4) . . . . ?
C02X C02E C02H C02C 1(3) . . . . ?
C02Z C017 C035 C048 2(3) . . . . ?
C02Z C017 C044 N01J -68(2) . . . . ?
C02Z C017 C044 C03I 58(2) . . . . ?
C030 C02K C03D C02W -1(3) . . . . ?
C030 C033 N039 Ag0A -34.6(18) . . . . ?
C030 C033 N039 C03T 162.7(18) . . . . ?
C031 S00Y C04J S00L -166.0(10) . . . . ?
C031 S00Y C04J N02N 11.9(17) . . . . ?
C031 C01P C040 C019 -168.3(15) . . . . ?
C031 C01P C040 N02N -44(2) . . . . ?
C032 C01G C01H C03M 0(3) . . . . ?
C032 C01Y C024 C03M -3(3) . . . . ?
C032 C01Y C03N N01T 138.0(16) . . . . ?
C032 C01Y C03N C03J -99(2) . . . . ?
C033 C02O C02R S00Z 59(2) . . . . ?
C033 C030 C04I C04D -178(2) . . . . ?
C033 N039 C03T S00N 177.8(14) . . . . ?
C033 N039 C03T S00Z -3(3) . . . . ?
C034 C02U C041 C046 -1(3) . . . . ?
C034 C02U C04G N022 -75(2) . . . . ?
C034 C02U C04G C02I 49(3) . . . . ?
C034 C047 C049 C046 -2(3) . . . . ?
C035 C017 C02Z C04O -3(3) . . . . ?
C035 C017 C044 N01J 111.0(18) . . . . ?
C035 C017 C044 C03I -123.8(19) . . . . ?
C036 S00U C02B C03I -26.5(16) . . . . ?
C036 N01J C044 C017 156.6(15) . . . . ?
C036 N01J C044 C03I 32(2) . . . . ?
C037 S00G C01B S00D -177.6(11) . . . . ?
C037 S00G C01B N016 2(2) . . . . ?
C037 C03L C042 N016 -61(2) . . . . ?
C037 C03L C042 C045 177.9(16) . . . . ?
C038 S00S C02L C02I -32.9(16) . . . . ?
C038 N022 C04G C02I 30(2) . . . . ?
C038 N022 C04G C02U 155.4(17) . . . . ?
C03A C01O C03X N015 113(2) . . . . ?
C03A C01O C03X C04M -120(2) . . . . ?
C03A C01O C04B C03W 4(3) . . . . ?
C03B C019 C02C C02H 1(3) . . . . ?
C03B C019 C040 C01P -136.2(16) . . . . ?
C03B C019 C040 N02N 94.3(18) . . . . ?
C03C N011 C027 S00F 179.8(14) . . . . ?
C03C N011 C027 S00K -2(3) . . . . ?
C03D C02K C030 C033 178.3(19) . . . . ?
C03D C02K C030 C04I 1(3) . . . . ?
C03D C02W C04D C04I 0(3) . . . . ?
C03F C02G C03R C02T 1(3) . . . . ?
C03G C01L C01U C025 -1(3) . . . . ?
C03G C03C C03P C03H 171.2(16) . . . . ?
C03H S00K C027 S00F 175.7(11) . . . . ?
C03H S00K C027 N011 -3.0(19) . . . . ?
C03L C042 C045 C01D -129.7(17) . . . . ?
C03L C042 C045 C02S 54(2) . . . . ?
C03N N01T C03Y S00R -3(2) . . . . ?
C03N N01T C03Y S00X 179.7(13) . . . . ?
C03N C01Y C024 C03M 179.6(16) . . . . ?
C03N C01Y C032 C01G 179.7(16) . . . . ?
C03N C03J C03V S00R 57.7(19) . . . . ?
C03O C03Z C04C C020 4(3) . . . . ?
C03P C03C C03G C01L 74(2) . . . . ?
C03P C03C C03G C02P -99(2) . . . . ?
C03Q C013 C029 N01K 135.0(17) . . . . ?
C03Q C013 C029 C03K -103(2) . . . . ?
C03Q C013 C02T C03R 0(3) . . . . ?
C03R C02G C03F C03Q -2(3) . . . . ?
C03T S00Z C02R C02O -22.8(17) . . . . ?
C03U S010 C04A C04K 15.7(18) . . . . ?
C03U N01Z C04N C03O 100(2) . . . . ?
C03U N01Z C04N C04K -32(3) . . . . ?
C03V S00R C03Y S00X 172.6(9) . . . . ?
C03V S00R C03Y N01T -5.6(18) . . . . ?
C03V C03J C03N N01T -66.5(19) . . . . ?
C03V C03J C03N C01Y 170.9(15) . . . . ?
C03W C018 C01W C03A -2(3) . . . . ?
C03X N015 C02D S00Q 2(3) . . . . ?
C03X N015 C02D S00W -177.8(14) . . . . ?
C03X C01O C03A C01W 177.4(19) . . . . ?
C03X C01O C04B C03W -177(2) . . . . ?
C03Y S00R C03V C03J -21.7(16) . . . . ?
C03Y N01T C03N C01Y 161.7(16) . . . . ?
C03Y N01T C03N C03J 38(2) . . . . ?
C03Z C03O C04N N01Z 97(2) . . . . ?
C03Z C03O C04N C04K -132(2) . . . . ?
C040 C019 C02C C02H 173.5(16) . . . . ?
C040 C019 C03B C02X -172.2(16) . . . . ?
C040 C01P C031 S00Y 64.8(18) . . . . ?
C040 N02N C04J S00L -174.3(12) . . . . ?
C040 N02N C04J S00Y 8(2) . . . . ?
C041 C02U C034 C047 1(3) . . . . ?
C041 C02U C04G N022 101(2) . . . . ?
C041 C02U C04G C02I -135.0(19) . . . . ?
C041 C046 C049 C047 1(3) . . . . ?
C042 N016 C01B S00D 179.6(14) . . . . ?
C042 N016 C01B S00G 0(3) . . . . ?
C044 C017 C02Z C04O 175.5(18) . . . . ?
C044 C017 C035 C048 -176.6(17) . . . . ?
C044 N01J C036 S00J -179.9(12) . . . . ?
C044 N01J C036 S00U 1(2) . . . . ?
C045 C01D C01F C014 3(2) . . . . ?
C048 C043 C04O C02Z -3(3) . . . . ?
C04A S010 C03U S00T -175.0(10) . . . . ?
C04A S010 C03U N01Z 6(2) . . . . ?
C04A C04K C04N N01Z 56(2) . . . . ?
C04A C04K C04N C03O -71(2) . . . . ?
C04B C01O C03A C01W -4(3) . . . . ?
C04B C01O C03X N015 -66(2) . . . . ?
C04B C01O C03X C04M 61(2) . . . . ?
C04D C02W C03D C02K 0(3) . . . . ?
C04E C01S C01V N012 -63(2) . . . . ?
C04E C01S C01V C02V 61(2) . . . . ?
C04E C01S C023 C01E -3(3) . . . . ?
C04F C01A C02A C03E -176.7(17) . . . . ?
C04F C01A C02M C028 177.6(17) . . . . ?
C04F N021 C04H S00I 2(2) . . . . ?
C04F N021 C04H S00P -178.9(12) . . . . ?
C04G N022 C038 S00O 179.5(13) . . . . ?
C04G N022 C038 S00S -3(3) . . . . ?
C04G C02I C02L S00S 63(2) . . . . ?
C04G C02U C034 C047 176.3(18) . . . . ?
C04G C02U C041 C046 -177.0(18) . . . . ?
C04H S00I C01N C02Y -29.3(15) . . . . ?
C04H N021 C04F C01A 152.2(15) . . . . ?
C04H N021 C04F C02Y 28(2) . . . . ?
C04I C030 C033 C02O -120(2) . . . . ?
C04I C030 C033 N039 118(2) . . . . ?
C04J S00Y C031 C01P -46.3(14) . . . . ?
C04J N02N C040 C019 133.0(16) . . . . ?
C04J N02N C040 C01P 6(2) . . . . ?
C04L S00Q C02D S00W -175.3(11) . . . . ?
C04L S00Q C02D N015 5(2) . . . . ?
C04N N01Z C03U S00T -176.8(13) . . . . ?
C04N N01Z C03U S010 2(3) . . . . ?
C04N C03O C03Z C04C -179.1(18) . . . . ?
C04O C043 C048 C035 2(3) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 -1.24
2 0.4
3 0.5
4 0.5
5 0.5
6 0.34

