# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_s-ag5-danti
_database_code_depnum_ccdc_archive 'CCDC 2192030'
loop_
_audit_author_name
_audit_author_address
'Xi-Ming Luo'
;ZhengZhou university
China
;
_audit_update_record             
;
2022-09-26 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
_audit_creation_date             2022-09-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
# start Validation Reply Form
_vrf_PLAT342_s-ag5-danti         
;
PROBLEM:Low Bond Precision on  C-C Bonds ...............       0.02889 Ang 
RESPONSE: This is attributed to the disordered group. No split was
applied to this molecule/group for clarity.
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H96 Ag5 N6 O12 S6, 3[H2O]'
_chemical_formula_sum            'C54 H102 Ag5 N6 O15 S6'
_chemical_formula_weight         1807.12
_smtbx_masks_special_details     
;
A solvent mask was calculated and 32 electrons were found in a volume of 
126Å³ in 2 voids per unit cell. This is consistent with the presence of 
3[H2O] per Formula Unit which account for 30 electrons per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.232 0.208 0.206 94.4 28.6 '3 H2O'
2 0.811 0.814 -0.045 31.6 2.9 ?
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     ' '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   10.4215(7)
_cell_length_b                   13.7248(6)
_cell_length_c                   15.1755(8)
_cell_angle_alpha                64.698(5)
_cell_angle_beta                 71.721(5)
_cell_angle_gamma                78.236(4)
_cell_volume                     1857.2(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    7471
_cell_measurement_temperature    200
_cell_measurement_theta_max      73.9330
_cell_measurement_theta_min      3.8110
_shelx_estimated_absorpt_T_max   0.522
_shelx_estimated_absorpt_T_min   0.436
_exptl_absorpt_coefficient_mu    12.457
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             919
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0625
_diffrn_reflns_av_unetI/netI     0.0741
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            18436
_diffrn_reflns_point_group_measured_fraction_full 0.629
_diffrn_reflns_point_group_measured_fraction_max 0.596
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.427
_diffrn_reflns_theta_min         3.332
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      2.00  30.00   0.50    0.50    --    0.00  38.00-180.00   56
  2  ω    -24.00  24.00   0.50    0.50    --    0.00 -19.00 -90.00   96
  3  ω    -65.00   4.00   0.50    0.50    --    0.00 -43.00-159.00  138
  4  ω     38.00  86.00   0.50    0.50    --    0.00  38.00-180.00   96
  5  ω    -29.00  23.00   0.50    0.50    --    0.00 -57.00 150.00  104
  6  ω    -88.00 -39.00   0.50    0.50    --    0.00 -19.00 -90.00   98
  7  ω     32.00  73.00   0.50    1.20    --   95.80 -61.00-120.00   82
  8  ω      7.00 128.00   0.50    1.20    --   95.80 -82.00  90.00  242
  9  ω     34.00 113.00   0.50    1.20    --   95.80 -30.00-180.00  158
 10  ω     22.00  48.00   0.50    1.20    --   95.80 -82.00 120.00   52
 11  ω     93.00 128.00   0.50    1.20    --   95.80 -82.00 120.00   70
 12  ω     75.00 127.00   0.50    1.20    --   95.80 -82.00-180.00  104
 13  ω     68.00 185.00   0.50    1.20    --   95.80  15.00-150.00  234
 14  ω      6.00 111.00   0.50    1.20    --   95.80 -61.00 -60.00  210
 15  ω     59.00 114.00   0.50    1.20    --   95.80 -30.00  90.00  110
 16  ω      6.00  68.00   0.50    1.20    --   95.80 -30.00   0.00  124
 17  ω      7.00  99.00   0.50    1.20    --   95.80 -61.00  90.00  184
 18  ω     75.00 102.00   0.50    1.20    --   95.80 -82.00-120.00   54
 19  ω     27.00  53.00   0.50    1.20    --   95.80 -82.00-120.00   52
 20  ω     81.00 106.00   0.50    1.20    --   95.80 -61.00-120.00   50
 21  ω      9.00  48.00   0.50    1.20    --   95.80 -82.00 -60.00   78
 22  ω     81.00 128.00   0.50    1.20    --   95.80 -82.00 -60.00   94
 23  ω    133.00 176.00   0.50    1.20    --   95.80  30.00 120.00   86
 24  ω      7.00  40.00   0.50    1.20    --   95.80 -30.00  90.00   66
 25  ω     88.00 113.00   0.50    1.20    --   95.80 -82.00   0.00   50
 26  ω     18.00  43.00   0.50    1.20    --   95.80 -82.00   0.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1459735000
_diffrn_orient_matrix_UB_12      0.0449894000
_diffrn_orient_matrix_UB_13      -0.0074367000
_diffrn_orient_matrix_UB_21      -0.0477749000
_diffrn_orient_matrix_UB_22      -0.1148156000
_diffrn_orient_matrix_UB_23      0.0614515000
_diffrn_orient_matrix_UB_31      -0.0284161000
_diffrn_orient_matrix_UB_32      0.0176333000
_diffrn_orient_matrix_UB_33      0.0982887000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.248
_reflns_Friedel_fraction_full    0.263
_reflns_Friedel_fraction_max     0.237
_reflns_number_gt                8114
_reflns_number_total             9052
_reflns_odcompleteness_completeness 99.50
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.794
_refine_diff_density_min         -1.909
_refine_diff_density_rms         0.179
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.015(15)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     766
_refine_ls_number_reflns         9052
_refine_ls_number_restraints     27
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0669
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1373P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1754
_refine_ls_wR_factor_ref         0.1805
_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. Uiso/Uaniso restraints and constraints
Uanis(C33) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C36)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Ternary CH refined with riding coordinates:
 C1(H1), C10(H10), C19(H19), C28(H28), C37(H37), C46(H46)
3.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C29(H29A,H29B),
  C30(H30A,H30B), C31(H31A,H31B), C38(H38A,H38B), C39(H39A,H39B), C40(H40A,
 H40B), C47(H47A,H47B), C48(H48A,H48B), C49(H49A,H49B)
3.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C), C27(H27A,H27B,H27C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C),
 C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.35730(10) 0.44655(7) 0.48393(7) 0.0438(2) Uani 1 1 d . . . . .
Ag2 Ag 0.33092(10) 0.60375(7) 0.60220(8) 0.0473(3) Uani 1 1 d . . . . .
Ag3 Ag 0.60975(10) 0.34090(7) 0.59969(7) 0.0451(2) Uani 1 1 d . . . . .
Ag4 Ag 0.59571(10) 0.59216(8) 0.33666(8) 0.0463(3) Uani 1 1 d . . . . .
Ag5 Ag 0.65631(10) 0.58204(7) 0.54407(7) 0.0431(2) Uani 1 1 d . . . . .
S1 S 0.1636(4) 0.5328(3) 0.5756(3) 0.0450(8) Uani 1 1 d . . . . .
S2 S 0.4308(4) 0.5333(3) 0.2973(3) 0.0428(7) Uani 1 1 d . . . . .
S3 S 0.4566(4) 0.2622(3) 0.5680(3) 0.0435(8) Uani 1 1 d . . . . .
S4 S 0.4825(4) 0.6802(3) 0.6385(3) 0.0432(8) Uani 1 1 d . . . . .
S5 S 0.7560(3) 0.4081(3) 0.6488(3) 0.0410(7) Uani 1 1 d . . . . .
S6 S 0.7565(4) 0.6693(3) 0.3615(3) 0.0429(8) Uani 1 1 d . . . . .
O1 O 0.2473(17) 1.0109(10) 0.0457(10) 0.077(4) Uani 1 1 d . . . . .
O2 O 0.4049(14) 0.9039(8) -0.0234(8) 0.060(3) Uani 1 1 d . . . . .
O3 O -0.0792(14) 0.2998(11) 1.0404(9) 0.068(3) Uani 1 1 d . . . . .
O4 O -0.1503(11) 0.4734(10) 0.9510(8) 0.053(3) Uani 1 1 d . . . . .
O5 O 0.9286(14) 0.0088(11) 0.3649(11) 0.072(4) Uani 1 1 d . . . . .
O6 O 0.8117(12) -0.0662(9) 0.5287(10) 0.055(3) Uani 1 1 d . . . . .
O7 O 0.2323(17) 1.1473(11) 0.4266(15) 0.091(5) Uani 1 1 d . . . . .
O8 O 0.1594(13) 1.0459(10) 0.5962(13) 0.068(4) Uani 1 1 d . . . . .
O9 O 0.5216(16) 0.1503(11) 1.1089(10) 0.074(4) Uani 1 1 d . . . . .
O10 O 0.7226(14) 0.1003(9) 1.0208(9) 0.062(3) Uani 1 1 d . . . . .
O11 O 1.2351(13) 0.4544(11) 0.1196(10) 0.072(4) Uani 1 1 d . . . . .
O12 O 1.1311(12) 0.6203(9) 0.0459(8) 0.052(2) Uani 1 1 d . . . . .
N1 N 0.0038(14) 0.3821(10) 0.8695(10) 0.050(3) Uani 1 1 d . . . . .
N2 N 0.3046(14) 0.8353(10) 0.1375(10) 0.052(3) Uani 1 1 d . . . . .
N3 N 0.7343(15) 0.0928(9) 0.4321(10) 0.049(3) Uani 1 1 d . . . . .
N4 N 0.3371(14) 0.9832(9) 0.5054(12) 0.053(3) Uani 1 1 d . . . . .
N5 N 0.6093(13) 0.2527(10) 0.9420(9) 0.046(3) Uani 1 1 d . . . . .
N6 N 1.0726(12) 0.5367(9) 0.2100(9) 0.040(2) Uani 1 1 d . . . . .
C1 C 0.0943(14) 0.4298(12) 0.6978(11) 0.042(3) Uani 1 1 d . . . . .
H1 H 0.035061 0.388343 0.687979 0.050 Uiso 1 1 calc R . . . .
C2 C 0.1935(15) 0.3477(13) 0.7555(13) 0.052(4) Uani 1 1 d . . . . .
H2A H 0.235965 0.293880 0.725350 0.063 Uiso 1 1 calc R . . . .
H2B H 0.265462 0.384205 0.756465 0.063 Uiso 1 1 calc R . . . .
C3 C 0.1037(18) 0.2950(13) 0.8605(14) 0.057(4) Uani 1 1 d . . . . .
H3A H 0.061271 0.233407 0.866529 0.068 Uiso 1 1 calc R . . . .
H3B H 0.155274 0.269548 0.912221 0.068 Uiso 1 1 calc R . . . .
C4 C 0.0063(14) 0.4765(11) 0.7765(10) 0.039(3) Uani 1 1 d . . . . .
H4A H 0.049074 0.535809 0.774448 0.047 Uiso 1 1 calc R . . . .
H4B H -0.085895 0.502772 0.766557 0.047 Uiso 1 1 calc R . . . .
C5 C -0.0756(16) 0.3798(13) 0.9599(12) 0.050(3) Uani 1 1 d . . . . .
C6 C -0.2472(19) 0.4896(19) 1.0414(16) 0.067(5) Uani 1 1 d . . . . .
C7 C -0.357(2) 0.419(3) 1.079(2) 0.093(8) Uani 1 1 d . . . . .
H7A H -0.401129 0.435539 1.025482 0.139 Uiso 1 1 calc GR . . . .
H7B H -0.423193 0.429788 1.136768 0.139 Uiso 1 1 calc GR . . . .
H7C H -0.319212 0.343042 1.100202 0.139 Uiso 1 1 calc GR . . . .
C8 C -0.300(2) 0.606(2) 0.9918(19) 0.091(8) Uani 1 1 d . . . . .
H8A H -0.226242 0.653560 0.964384 0.137 Uiso 1 1 calc GR . . . .
H8B H -0.371942 0.627352 1.042006 0.137 Uiso 1 1 calc GR . . . .
H8C H -0.337446 0.613848 0.937164 0.137 Uiso 1 1 calc GR . . . .
C9 C -0.174(2) 0.477(2) 1.1151(17) 0.079(6) Uani 1 1 d . . . . .
H9A H -0.126313 0.404863 1.135987 0.119 Uiso 1 1 calc GR . . . .
H9B H -0.238826 0.486519 1.174236 0.119 Uiso 1 1 calc GR . . . .
H9C H -0.108181 0.531846 1.084123 0.119 Uiso 1 1 calc GR . . . .
C10 C 0.3209(15) 0.6561(11) 0.2514(10) 0.042(3) Uani 1 1 d . . . . .
H10 H 0.237043 0.633605 0.249122 0.050 Uiso 1 1 calc R . . . .
C11 C 0.276(2) 0.7310(14) 0.3105(12) 0.061(4) Uani 1 1 d . . . . .
H11A H 0.203981 0.699880 0.373149 0.074 Uiso 1 1 calc R . . . .
H11B H 0.352966 0.743667 0.327818 0.074 Uiso 1 1 calc R . . . .
C12 C 0.221(2) 0.8347(15) 0.2364(15) 0.066(5) Uani 1 1 d . . . . .
H12A H 0.123902 0.833164 0.243525 0.079 Uiso 1 1 calc R . . . .
H12B H 0.233840 0.898769 0.246033 0.079 Uiso 1 1 calc R . . . .
C13 C 0.3843(19) 0.7323(12) 0.1466(12) 0.054(4) Uani 1 1 d . . . . .
H13A H 0.480810 0.738249 0.138445 0.065 Uiso 1 1 calc R . . . .
H13B H 0.377946 0.707899 0.095550 0.065 Uiso 1 1 calc R . . . .
C14 C 0.315(2) 0.9226(14) 0.0515(15) 0.062(4) Uani 1 1 d . . . . .
C15 C 0.434(2) 0.9890(13) -0.1289(13) 0.061(4) Uani 1 1 d . . . . .
C16 C 0.486(3) 1.0838(19) -0.1277(19) 0.088(7) Uani 1 1 d . . . . .
H16A H 0.412153 1.119203 -0.089977 0.133 Uiso 1 1 calc GR . . . .
H16B H 0.517262 1.135629 -0.197023 0.133 Uiso 1 1 calc GR . . . .
H16C H 0.560672 1.057750 -0.095289 0.133 Uiso 1 1 calc GR . . . .
C17 C 0.544(3) 0.926(2) -0.1832(15) 0.096(8) Uani 1 1 d . . . . .
H17A H 0.624696 0.909415 -0.157557 0.144 Uiso 1 1 calc GR . . . .
H17B H 0.567676 0.969774 -0.255791 0.144 Uiso 1 1 calc GR . . . .
H17C H 0.510337 0.858406 -0.170778 0.144 Uiso 1 1 calc GR . . . .
C18 C 0.311(2) 1.0215(17) -0.1680(16) 0.076(6) Uani 1 1 d . . . . .
H18A H 0.278564 0.957626 -0.164841 0.114 Uiso 1 1 calc GR . . . .
H18B H 0.333535 1.073696 -0.238143 0.114 Uiso 1 1 calc GR . . . .
H18C H 0.240027 1.054763 -0.126961 0.114 Uiso 1 1 calc GR . . . .
C19 C 0.5538(16) 0.2091(11) 0.4710(11) 0.044(3) Uani 1 1 d . . . . .
H19 H 0.488468 0.197441 0.440940 0.053 Uiso 1 1 calc R . . . .
C20 C 0.6307(15) 0.1027(10) 0.5162(12) 0.044(3) Uani 1 1 d . . . . .
H20A H 0.670347 0.103212 0.567326 0.052 Uiso 1 1 calc R . . . .
H20B H 0.571017 0.042622 0.548035 0.052 Uiso 1 1 calc R . . . .
C21 C 0.6602(19) 0.2759(12) 0.3875(13) 0.055(4) Uani 1 1 d . . . . .
H21A H 0.712772 0.304971 0.413757 0.066 Uiso 1 1 calc R . . . .
H21B H 0.619132 0.336948 0.337255 0.066 Uiso 1 1 calc R . . . .
C22 C 0.751(2) 0.1985(14) 0.3406(13) 0.062(5) Uani 1 1 d . . . . .
H22A H 0.718128 0.197052 0.286682 0.075 Uiso 1 1 calc R . . . .
H22B H 0.846364 0.217073 0.313527 0.075 Uiso 1 1 calc R . . . .
C23 C 0.8367(17) 0.0128(14) 0.4332(15) 0.055(4) Uani 1 1 d . . . . .
C24 C 0.8970(19) -0.1668(13) 0.5528(18) 0.065(5) Uani 1 1 d . . . . .
C25 C 0.837(3) -0.2311(17) 0.6635(18) 0.088(7) Uani 1 1 d . . . . .
H25A H 0.839969 -0.190951 0.702956 0.132 Uiso 1 1 calc GR . . . .
H25B H 0.890117 -0.300985 0.685332 0.132 Uiso 1 1 calc GR . . . .
H25C H 0.743101 -0.242988 0.674053 0.132 Uiso 1 1 calc GR . . . .
C26 C 0.8926(19) -0.2249(17) 0.487(2) 0.075(6) Uani 1 1 d . . . . .
H26A H 0.798273 -0.225271 0.487552 0.113 Uiso 1 1 calc GR . . . .
H26B H 0.932305 -0.299465 0.513140 0.113 Uiso 1 1 calc GR . . . .
H26C H 0.944389 -0.186894 0.417339 0.113 Uiso 1 1 calc GR . . . .
C27 C 1.042(2) -0.1437(17) 0.539(3) 0.091(8) Uani 1 1 d . . . . .
H27A H 1.084681 -0.108449 0.466408 0.136 Uiso 1 1 calc GR . . . .
H27B H 1.094399 -0.211905 0.567647 0.136 Uiso 1 1 calc GR . . . .
H27C H 1.038821 -0.096154 0.572401 0.136 Uiso 1 1 calc GR . . . .
C28 C 0.4750(15) 0.8215(12) 0.5595(12) 0.045(3) Uani 1 1 d . . . . .
H28 H 0.554144 0.851505 0.560466 0.054 Uiso 1 1 calc R . . . .
C29 C 0.3474(17) 0.8849(11) 0.5971(12) 0.049(3) Uani 1 1 d . . . . .
H29A H 0.266888 0.843348 0.623267 0.058 Uiso 1 1 calc R . . . .
H29B H 0.357161 0.903641 0.650723 0.058 Uiso 1 1 calc R . . . .
C30 C 0.477(2) 0.8574(13) 0.4471(15) 0.064(5) Uani 1 1 d . . . . .
H30A H 0.570527 0.849128 0.406080 0.077 Uiso 1 1 calc R . . . .
H30B H 0.417995 0.814781 0.439876 0.077 Uiso 1 1 calc R . . . .
C31 C 0.424(2) 0.9757(11) 0.4161(15) 0.070(5) Uani 1 1 d . . . . .
H31A H 0.499152 1.022897 0.389118 0.084 Uiso 1 1 calc R . . . .
H31B H 0.373746 0.996882 0.364184 0.084 Uiso 1 1 calc R . . . .
C32 C 0.2416(19) 1.0651(15) 0.5038(18) 0.064(5) Uani 1 1 d . . . . .
C33 C 0.044(2) 1.1275(17) 0.6130(18) 0.069(5) Uani 1 1 d . U . . .
C34 C -0.014(3) 1.074(3) 0.722(3) 0.118(10) Uani 1 1 d . U . . .
H34A H -0.045562 1.004786 0.737390 0.178 Uiso 1 1 calc GR . . . .
H34B H -0.091213 1.120555 0.744105 0.178 Uiso 1 1 calc GR . . . .
H34C H 0.054633 1.062006 0.758236 0.178 Uiso 1 1 calc GR . . . .
C35 C 0.099(2) 1.2343(18) 0.585(2) 0.087(7) Uani 1 1 d . U . . .
H35A H 0.154302 1.224238 0.630556 0.131 Uiso 1 1 calc GR . . . .
H35B H 0.022528 1.288099 0.592531 0.131 Uiso 1 1 calc GR . . . .
H35C H 0.153809 1.259415 0.515601 0.131 Uiso 1 1 calc GR . . . .
C36 C -0.055(2) 1.1455(18) 0.551(2) 0.075(5) Uani 1 1 d . U . . .
H36A H -0.006120 1.164553 0.480162 0.113 Uiso 1 1 calc GR . . . .
H36B H -0.123462 1.204329 0.557982 0.113 Uiso 1 1 calc GR . . . .
H36C H -0.099906 1.079063 0.575824 0.113 Uiso 1 1 calc GR . . . .
C37 C 0.6748(14) 0.3848(10) 0.7797(10) 0.038(3) Uani 1 1 d . . . . .
H37 H 0.701863 0.439833 0.795880 0.046 Uiso 1 1 calc R . . . .
C38 C 0.5185(17) 0.3847(14) 0.8142(12) 0.054(4) Uani 1 1 d . . . . .
H38A H 0.475064 0.459397 0.793548 0.065 Uiso 1 1 calc R . . . .
H38B H 0.486300 0.344500 0.785449 0.065 Uiso 1 1 calc R . . . .
C39 C 0.4878(17) 0.3281(13) 0.9291(13) 0.052(4) Uani 1 1 d . . . . .
H39A H 0.478020 0.379889 0.960784 0.062 Uiso 1 1 calc R . . . .
H39B H 0.404599 0.289159 0.957311 0.062 Uiso 1 1 calc R . . . .
C40 C 0.7129(14) 0.2714(11) 0.8533(10) 0.041(3) Uani 1 1 d . . . . .
H40A H 0.718462 0.216470 0.825893 0.050 Uiso 1 1 calc R . . . .
H40B H 0.801415 0.269112 0.865751 0.050 Uiso 1 1 calc R . . . .
C41 C 0.6138(18) 0.1648(12) 1.0313(10) 0.051(4) Uani 1 1 d . . . . .
C42 C 0.750(2) -0.0042(14) 1.1041(14) 0.069(5) Uani 1 1 d . . . . .
C43 C 0.635(4) -0.0757(18) 1.139(2) 0.111(11) Uani 1 1 d . . . . .
H43A H 0.550233 -0.041390 1.168804 0.167 Uiso 1 1 calc GR . . . .
H43B H 0.655460 -0.146312 1.189940 0.167 Uiso 1 1 calc GR . . . .
H43C H 0.624027 -0.085320 1.081593 0.167 Uiso 1 1 calc GR . . . .
C44 C 0.762(3) 0.026(2) 1.1884(17) 0.100(9) Uani 1 1 d . . . . .
H44A H 0.819295 0.086397 1.158526 0.150 Uiso 1 1 calc GR . . . .
H44B H 0.801784 -0.036324 1.236851 0.150 Uiso 1 1 calc GR . . . .
H44C H 0.671241 0.047871 1.223003 0.150 Uiso 1 1 calc GR . . . .
C45 C 0.884(3) -0.045(2) 1.055(2) 0.106(9) Uani 1 1 d . . . . .
H45A H 0.879422 -0.045084 0.991309 0.159 Uiso 1 1 calc GR . . . .
H45B H 0.906709 -0.118945 1.099607 0.159 Uiso 1 1 calc GR . . . .
H45C H 0.952819 0.001706 1.041489 0.159 Uiso 1 1 calc GR . . . .
C46 C 0.9208(14) 0.5976(12) 0.3304(10) 0.041(3) Uani 1 1 d . . . . .
H46 H 0.986092 0.619607 0.353481 0.049 Uiso 1 1 calc R . . . .
C47 C 0.9306(17) 0.4750(13) 0.3731(11) 0.055(4) Uani 1 1 d . . . . .
H47A H 0.932152 0.444265 0.444860 0.066 Uiso 1 1 calc R . . . .
H47B H 0.853614 0.448376 0.367005 0.066 Uiso 1 1 calc R . . . .
C48 C 1.0617(17) 0.4466(13) 0.3093(11) 0.053(4) Uani 1 1 d . . . . .
H48A H 1.138539 0.441408 0.336729 0.064 Uiso 1 1 calc R . . . .
H48B H 1.059878 0.377001 0.304825 0.064 Uiso 1 1 calc R . . . .
C49 C 0.9757(16) 0.6271(11) 0.2177(11) 0.046(3) Uani 1 1 d . . . . .
H49A H 0.902186 0.635123 0.186077 0.055 Uiso 1 1 calc R . . . .
H49B H 1.020761 0.695344 0.184727 0.055 Uiso 1 1 calc R . . . .
C50 C 1.1539(15) 0.5309(11) 0.1254(11) 0.041(3) Uani 1 1 d . . . . .
C51 C 1.2070(19) 0.6375(16) -0.0591(12) 0.058(4) Uani 1 1 d . . . . .
C52 C 1.143(3) 0.742(2) -0.1188(15) 0.096(8) Uani 1 1 d . . . . .
H52A H 1.045813 0.736637 -0.104418 0.144 Uiso 1 1 calc GR . . . .
H52B H 1.184868 0.760223 -0.190839 0.144 Uiso 1 1 calc GR . . . .
H52C H 1.156454 0.799218 -0.100509 0.144 Uiso 1 1 calc GR . . . .
C53 C 1.190(2) 0.545(2) -0.0861(16) 0.073(6) Uani 1 1 d . . . . .
H53A H 1.226580 0.475808 -0.041331 0.109 Uiso 1 1 calc GR . . . .
H53B H 1.240249 0.558076 -0.156194 0.109 Uiso 1 1 calc GR . . . .
H53C H 1.094176 0.541016 -0.077675 0.109 Uiso 1 1 calc GR . . . .
C54 C 1.360(2) 0.644(2) -0.0733(15) 0.076(6) Uani 1 1 d . . . . .
H54A H 1.371071 0.709318 -0.065639 0.114 Uiso 1 1 calc GR . . . .
H54B H 1.411209 0.648037 -0.140811 0.114 Uiso 1 1 calc GR . . . .
H54C H 1.393928 0.580166 -0.022466 0.114 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 Ag2 3.2727(15) . ?
Ag1 Ag3 3.3581(14) . ?
Ag1 Ag4 3.1441(15) . ?
Ag1 S1 2.467(4) . ?
Ag1 S2 2.481(4) . ?
Ag1 S3 2.470(3) . ?
Ag2 Ag5 3.2097(15) . ?
Ag2 S1 2.371(4) . ?
Ag2 S4 2.370(4) . ?
Ag3 Ag5 3.1483(13) . ?
Ag3 S3 2.360(4) . ?
Ag3 S5 2.366(4) . ?
Ag4 Ag5 3.3410(15) . ?
Ag4 S2 2.363(4) . ?
Ag4 S6 2.353(4) . ?
Ag5 S4 2.485(4) . ?
Ag5 S5 2.467(3) . ?
Ag5 S6 2.461(4) . ?
S1 C1 1.815(16) . ?
S2 C10 1.829(15) . ?
S3 C19 1.845(16) . ?
S4 C28 1.793(15) . ?
S5 C37 1.811(15) . ?
S6 C46 1.823(15) . ?
O1 C14 1.26(2) . ?
O2 C14 1.31(2) . ?
O2 C15 1.504(18) . ?
O3 C5 1.24(2) . ?
O4 C5 1.335(19) . ?
O4 C6 1.50(2) . ?
O5 C23 1.18(2) . ?
O6 C23 1.37(2) . ?
O6 C24 1.449(17) . ?
O7 C32 1.25(3) . ?
O8 C32 1.34(3) . ?
O8 C33 1.50(2) . ?
O9 C41 1.23(2) . ?
O10 C41 1.30(2) . ?
O10 C42 1.498(17) . ?
O11 C50 1.223(18) . ?
O12 C50 1.346(16) . ?
O12 C51 1.478(18) . ?
N1 C3 1.44(2) . ?
N1 C4 1.448(17) . ?
N1 C5 1.35(2) . ?
N2 C12 1.48(2) . ?
N2 C13 1.460(19) . ?
N2 C14 1.33(2) . ?
N3 C20 1.43(2) . ?
N3 C22 1.51(2) . ?
N3 C23 1.37(2) . ?
N4 C29 1.482(19) . ?
N4 C31 1.41(3) . ?
N4 C32 1.34(2) . ?
N5 C39 1.47(2) . ?
N5 C40 1.397(19) . ?
N5 C41 1.383(18) . ?
N6 C48 1.474(17) . ?
N6 C49 1.452(18) . ?
N6 C50 1.323(18) . ?
C1 H1 1.0000 . ?
C1 C2 1.535(19) . ?
C1 C4 1.552(19) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.51(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C6 C7 1.47(3) . ?
C6 C8 1.52(3) . ?
C6 C9 1.48(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C11 1.55(2) . ?
C10 C13 1.50(2) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.52(2) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C15 C16 1.52(3) . ?
C15 C17 1.54(3) . ?
C15 C18 1.48(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19 1.0000 . ?
C19 C20 1.502(18) . ?
C19 C21 1.49(2) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.53(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C24 C25 1.51(3) . ?
C24 C26 1.54(2) . ?
C24 C27 1.53(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28 1.0000 . ?
C28 C29 1.53(2) . ?
C28 C30 1.55(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.521(19) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C33 C34 1.47(4) . ?
C33 C35 1.52(3) . ?
C33 C36 1.52(3) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37 1.0000 . ?
C37 C38 1.55(2) . ?
C37 C40 1.538(17) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.53(2) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C42 C43 1.52(3) . ?
C42 C44 1.55(3) . ?
C42 C45 1.48(4) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46 1.0000 . ?
C46 C47 1.52(2) . ?
C46 C49 1.519(18) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C48 1.49(2) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C51 C52 1.49(3) . ?
C51 C53 1.55(3) . ?
C51 C54 1.56(3) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?

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
Ag2 Ag1 Ag3 77.51(3) . . ?
Ag4 Ag1 Ag2 80.71(4) . . ?
Ag4 Ag1 Ag3 76.52(3) . . ?
S1 Ag1 Ag2 46.20(9) . . ?
S1 Ag1 Ag3 113.39(10) . . ?
S1 Ag1 Ag4 116.21(10) . . ?
S1 Ag1 S2 119.15(13) . . ?
S1 Ag1 S3 122.04(13) . . ?
S2 Ag1 Ag2 115.36(9) . . ?
S2 Ag1 Ag3 115.15(10) . . ?
S2 Ag1 Ag4 47.92(9) . . ?
S3 Ag1 Ag2 112.90(9) . . ?
S3 Ag1 Ag3 44.62(9) . . ?
S3 Ag1 Ag4 108.16(10) . . ?
S3 Ag1 S2 118.02(13) . . ?
Ag5 Ag2 Ag1 86.14(4) . . ?
S1 Ag2 Ag1 48.69(9) . . ?
S1 Ag2 Ag5 134.82(10) . . ?
S4 Ag2 Ag1 136.32(9) . . ?
S4 Ag2 Ag5 50.18(9) . . ?
S4 Ag2 S1 174.93(13) . . ?
Ag5 Ag3 Ag1 85.69(3) . . ?
S3 Ag3 Ag1 47.32(8) . . ?
S3 Ag3 Ag5 133.00(9) . . ?
S3 Ag3 S5 174.21(13) . . ?
S5 Ag3 Ag1 135.94(8) . . ?
S5 Ag3 Ag5 50.76(8) . . ?
Ag1 Ag4 Ag5 86.05(4) . . ?
S2 Ag4 Ag1 51.18(9) . . ?
S2 Ag4 Ag5 137.00(10) . . ?
S6 Ag4 Ag1 133.44(9) . . ?
S6 Ag4 Ag5 47.41(9) . . ?
S6 Ag4 S2 173.69(13) . . ?
Ag2 Ag5 Ag4 78.73(4) . . ?
Ag3 Ag5 Ag2 81.52(4) . . ?
Ag3 Ag5 Ag4 76.72(3) . . ?
S4 Ag5 Ag2 47.09(9) . . ?
S4 Ag5 Ag3 116.74(9) . . ?
S4 Ag5 Ag4 115.90(9) . . ?
S5 Ag5 Ag2 113.98(9) . . ?
S5 Ag5 Ag3 47.97(9) . . ?
S5 Ag5 Ag4 116.56(10) . . ?
S5 Ag5 S4 115.48(13) . . ?
S6 Ag5 Ag2 112.79(9) . . ?
S6 Ag5 Ag3 109.47(9) . . ?
S6 Ag5 Ag4 44.72(9) . . ?
S6 Ag5 S4 121.79(12) . . ?
S6 Ag5 S5 121.50(12) . . ?
Ag2 S1 Ag1 85.11(13) . . ?
C1 S1 Ag1 107.9(5) . . ?
C1 S1 Ag2 104.6(5) . . ?
Ag4 S2 Ag1 80.90(11) . . ?
C10 S2 Ag1 109.8(5) . . ?
C10 S2 Ag4 103.6(5) . . ?
Ag3 S3 Ag1 88.06(12) . . ?
C19 S3 Ag1 108.7(5) . . ?
C19 S3 Ag3 107.4(5) . . ?
Ag2 S4 Ag5 82.73(12) . . ?
C28 S4 Ag2 106.0(5) . . ?
C28 S4 Ag5 108.9(5) . . ?
Ag3 S5 Ag5 81.27(11) . . ?
C37 S5 Ag3 104.5(4) . . ?
C37 S5 Ag5 107.8(4) . . ?
Ag4 S6 Ag5 87.87(13) . . ?
C46 S6 Ag4 107.1(5) . . ?
C46 S6 Ag5 108.3(4) . . ?
C14 O2 C15 121.9(13) . . ?
C5 O4 C6 121.1(14) . . ?
C23 O6 C24 120.9(15) . . ?
C32 O8 C33 120.0(16) . . ?
C41 O10 C42 123.1(14) . . ?
C50 O12 C51 122.6(13) . . ?
C3 N1 C4 114.9(13) . . ?
C5 N1 C3 122.0(14) . . ?
C5 N1 C4 122.8(13) . . ?
C13 N2 C12 112.0(12) . . ?
C14 N2 C12 123.8(15) . . ?
C14 N2 C13 123.9(15) . . ?
C20 N3 C22 112.5(11) . . ?
C23 N3 C20 127.5(13) . . ?
C23 N3 C22 117.5(15) . . ?
C31 N4 C29 113.5(11) . . ?
C32 N4 C29 124.1(17) . . ?
C32 N4 C31 121.7(16) . . ?
C40 N5 C39 113.7(12) . . ?
C41 N5 C39 122.5(14) . . ?
C41 N5 C40 123.4(13) . . ?
C49 N6 C48 110.9(11) . . ?
C50 N6 C48 123.3(11) . . ?
C50 N6 C49 125.7(11) . . ?
S1 C1 H1 107.6 . . ?
C2 C1 S1 118.3(11) . . ?
C2 C1 H1 107.6 . . ?
C2 C1 C4 101.5(12) . . ?
C4 C1 S1 113.5(10) . . ?
C4 C1 H1 107.6 . . ?
C1 C2 H2A 111.1 . . ?
C1 C2 H2B 111.1 . . ?
H2A C2 H2B 109.1 . . ?
C3 C2 C1 103.1(12) . . ?
C3 C2 H2A 111.1 . . ?
C3 C2 H2B 111.1 . . ?
N1 C3 C2 102.3(12) . . ?
N1 C3 H3A 111.3 . . ?
N1 C3 H3B 111.3 . . ?
C2 C3 H3A 111.3 . . ?
C2 C3 H3B 111.3 . . ?
H3A C3 H3B 109.2 . . ?
N1 C4 C1 101.0(11) . . ?
N1 C4 H4A 111.6 . . ?
N1 C4 H4B 111.6 . . ?
C1 C4 H4A 111.6 . . ?
C1 C4 H4B 111.6 . . ?
H4A C4 H4B 109.4 . . ?
O3 C5 O4 124.7(15) . . ?
O3 C5 N1 123.8(15) . . ?
O4 C5 N1 111.5(14) . . ?
O4 C6 C8 100.0(16) . . ?
C7 C6 O4 108.0(15) . . ?
C7 C6 C8 110(2) . . ?
C7 C6 C9 116(2) . . ?
C9 C6 O4 110.5(15) . . ?
C9 C6 C8 111(2) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
S2 C10 H10 107.4 . . ?
C11 C10 S2 118.9(10) . . ?
C11 C10 H10 107.4 . . ?
C13 C10 S2 112.8(11) . . ?
C13 C10 H10 107.4 . . ?
C13 C10 C11 102.5(12) . . ?
C10 C11 H11A 111.2 . . ?
C10 C11 H11B 111.2 . . ?
H11A C11 H11B 109.1 . . ?
C12 C11 C10 102.9(14) . . ?
C12 C11 H11A 111.2 . . ?
C12 C11 H11B 111.2 . . ?
N2 C12 C11 102.9(14) . . ?
N2 C12 H12A 111.2 . . ?
N2 C12 H12B 111.2 . . ?
C11 C12 H12A 111.2 . . ?
C11 C12 H12B 111.2 . . ?
H12A C12 H12B 109.1 . . ?
N2 C13 C10 103.8(13) . . ?
N2 C13 H13A 111.0 . . ?
N2 C13 H13B 111.0 . . ?
C10 C13 H13A 111.0 . . ?
C10 C13 H13B 111.0 . . ?
H13A C13 H13B 109.0 . . ?
O1 C14 O2 125.5(18) . . ?
O1 C14 N2 123.0(19) . . ?
O2 C14 N2 111.5(14) . . ?
O2 C15 C16 108.1(15) . . ?
O2 C15 C17 100.0(14) . . ?
C16 C15 C17 113(2) . . ?
C18 C15 O2 110.9(15) . . ?
C18 C15 C16 112.1(17) . . ?
C18 C15 C17 112.2(19) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
S3 C19 H19 108.3 . . ?
C20 C19 S3 111.1(11) . . ?
C20 C19 H19 108.3 . . ?
C21 C19 S3 117.0(10) . . ?
C21 C19 H19 108.3 . . ?
C21 C19 C20 103.5(13) . . ?
N3 C20 C19 103.8(12) . . ?
N3 C20 H20A 111.0 . . ?
N3 C20 H20B 111.0 . . ?
C19 C20 H20A 111.0 . . ?
C19 C20 H20B 111.0 . . ?
H20A C20 H20B 109.0 . . ?
C19 C21 H21A 110.8 . . ?
C19 C21 H21B 110.8 . . ?
C19 C21 C22 104.9(13) . . ?
H21A C21 H21B 108.8 . . ?
C22 C21 H21A 110.8 . . ?
C22 C21 H21B 110.8 . . ?
N3 C22 C21 100.1(13) . . ?
N3 C22 H22A 111.7 . . ?
N3 C22 H22B 111.7 . . ?
C21 C22 H22A 111.7 . . ?
C21 C22 H22B 111.7 . . ?
H22A C22 H22B 109.5 . . ?
O5 C23 O6 125.3(16) . . ?
O5 C23 N3 127.5(18) . . ?
N3 C23 O6 107.2(15) . . ?
O6 C24 C25 104.9(16) . . ?
O6 C24 C26 109.4(14) . . ?
O6 C24 C27 109.7(14) . . ?
C25 C24 C26 111.8(18) . . ?
C25 C24 C27 109(2) . . ?
C27 C24 C26 112.0(18) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
S4 C28 H28 107.1 . . ?
C29 C28 S4 113.3(11) . . ?
C29 C28 H28 107.1 . . ?
C29 C28 C30 102.3(13) . . ?
C30 C28 S4 119.3(11) . . ?
C30 C28 H28 107.1 . . ?
N4 C29 C28 103.0(13) . . ?
N4 C29 H29A 111.2 . . ?
N4 C29 H29B 111.2 . . ?
C28 C29 H29A 111.2 . . ?
C28 C29 H29B 111.2 . . ?
H29A C29 H29B 109.1 . . ?
C28 C30 H30A 111.1 . . ?
C28 C30 H30B 111.1 . . ?
H30A C30 H30B 109.0 . . ?
C31 C30 C28 103.5(15) . . ?
C31 C30 H30A 111.1 . . ?
C31 C30 H30B 111.1 . . ?
N4 C31 C30 104.6(13) . . ?
N4 C31 H31A 110.8 . . ?
N4 C31 H31B 110.8 . . ?
C30 C31 H31A 110.8 . . ?
C30 C31 H31B 110.8 . . ?
H31A C31 H31B 108.9 . . ?
O7 C32 O8 125.5(17) . . ?
O7 C32 N4 124(2) . . ?
N4 C32 O8 110.4(18) . . ?
O8 C33 C35 110.2(16) . . ?
O8 C33 C36 111.2(15) . . ?
C34 C33 O8 101(2) . . ?
C34 C33 C35 112(2) . . ?
C34 C33 C36 113(2) . . ?
C35 C33 C36 109.6(19) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
S5 C37 H37 108.6 . . ?
C38 C37 S5 117.6(10) . . ?
C38 C37 H37 108.6 . . ?
C40 C37 S5 113.3(10) . . ?
C40 C37 H37 108.6 . . ?
C40 C37 C38 99.6(11) . . ?
C37 C38 H38A 110.9 . . ?
C37 C38 H38B 110.9 . . ?
H38A C38 H38B 109.0 . . ?
C39 C38 C37 104.1(12) . . ?
C39 C38 H38A 110.9 . . ?
C39 C38 H38B 110.9 . . ?
N5 C39 C38 101.4(13) . . ?
N5 C39 H39A 111.5 . . ?
N5 C39 H39B 111.5 . . ?
C38 C39 H39A 111.5 . . ?
C38 C39 H39B 111.5 . . ?
H39A C39 H39B 109.3 . . ?
N5 C40 C37 105.3(11) . . ?
N5 C40 H40A 110.7 . . ?
N5 C40 H40B 110.7 . . ?
C37 C40 H40A 110.7 . . ?
C37 C40 H40B 110.7 . . ?
H40A C40 H40B 108.8 . . ?
O9 C41 O10 125.8(14) . . ?
O9 C41 N5 122.3(16) . . ?
O10 C41 N5 111.8(13) . . ?
O10 C42 C43 109.2(16) . . ?
O10 C42 C44 106.1(16) . . ?
C43 C42 C44 113(2) . . ?
C45 C42 O10 101.9(17) . . ?
C45 C42 C43 115(2) . . ?
C45 C42 C44 111(2) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
S6 C46 H46 107.6 . . ?
C47 C46 S6 118.4(10) . . ?
C47 C46 H46 107.6 . . ?
C47 C46 C49 102.9(12) . . ?
C49 C46 S6 112.3(10) . . ?
C49 C46 H46 107.6 . . ?
C46 C47 H47A 111.1 . . ?
C46 C47 H47B 111.1 . . ?
H47A C47 H47B 109.0 . . ?
C48 C47 C46 103.4(12) . . ?
C48 C47 H47A 111.1 . . ?
C48 C47 H47B 111.1 . . ?
N6 C48 C47 103.8(11) . . ?
N6 C48 H48A 111.0 . . ?
N6 C48 H48B 111.0 . . ?
C47 C48 H48A 111.0 . . ?
C47 C48 H48B 111.0 . . ?
H48A C48 H48B 109.0 . . ?
N6 C49 C46 104.1(11) . . ?
N6 C49 H49A 110.9 . . ?
N6 C49 H49B 110.9 . . ?
C46 C49 H49A 110.9 . . ?
C46 C49 H49B 110.9 . . ?
H49A C49 H49B 108.9 . . ?
O11 C50 O12 124.8(14) . . ?
O11 C50 N6 125.2(13) . . ?
N6 C50 O12 110.0(12) . . ?
O12 C51 C52 103.0(15) . . ?
O12 C51 C53 110.8(14) . . ?
O12 C51 C54 109.9(14) . . ?
C52 C51 C53 111.7(19) . . ?
C52 C51 C54 111.6(19) . . ?
C53 C51 C54 109.8(17) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?

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 S1 C1 C2 41.6(12) . . . . ?
Ag1 S1 C1 C4 160.4(8) . . . . ?
Ag1 S2 C10 C11 40.4(13) . . . . ?
Ag1 S2 C10 C13 160.3(10) . . . . ?
Ag1 S3 C19 C20 173.1(9) . . . . ?
Ag1 S3 C19 C21 54.6(12) . . . . ?
Ag2 S1 C1 C2 -47.9(12) . . . . ?
Ag2 S1 C1 C4 70.9(10) . . . . ?
Ag2 S4 C28 C29 76.3(11) . . . . ?
Ag2 S4 C28 C30 -44.2(14) . . . . ?
Ag3 S3 C19 C20 79.1(10) . . . . ?
Ag3 S3 C19 C21 -39.4(12) . . . . ?
Ag3 S5 C37 C38 -28.9(11) . . . . ?
Ag3 S5 C37 C40 86.6(9) . . . . ?
Ag4 S2 C10 C11 -44.7(13) . . . . ?
Ag4 S2 C10 C13 75.2(11) . . . . ?
Ag4 S6 C46 C47 -47.0(12) . . . . ?
Ag4 S6 C46 C49 72.7(11) . . . . ?
Ag5 S4 C28 C29 163.9(9) . . . . ?
Ag5 S4 C28 C30 43.4(14) . . . . ?
Ag5 S5 C37 C38 56.4(11) . . . . ?
Ag5 S5 C37 C40 171.9(8) . . . . ?
Ag5 S6 C46 C47 46.5(12) . . . . ?
Ag5 S6 C46 C49 166.2(9) . . . . ?
S1 C1 C2 C3 166.5(11) . . . . ?
S1 C1 C4 N1 -162.0(9) . . . . ?
S2 C10 C11 C12 165.2(13) . . . . ?
S2 C10 C13 N2 -162.2(11) . . . . ?
S3 C19 C20 N3 -159.5(10) . . . . ?
S3 C19 C21 C22 162.3(12) . . . . ?
S4 C28 C29 N4 -159.1(10) . . . . ?
S4 C28 C30 C31 162.1(13) . . . . ?
S5 C37 C38 C39 162.2(10) . . . . ?
S5 C37 C40 N5 -158.8(10) . . . . ?
S6 C46 C47 C48 163.3(11) . . . . ?
S6 C46 C49 N6 -158.4(10) . . . . ?
C1 C2 C3 N1 -32.2(17) . . . . ?
C2 C1 C4 N1 -34.0(14) . . . . ?
C3 N1 C4 C1 15.1(16) . . . . ?
C3 N1 C5 O3 -7(3) . . . . ?
C3 N1 C5 O4 173.5(14) . . . . ?
C4 N1 C3 C2 10.7(18) . . . . ?
C4 N1 C5 O3 -179.9(15) . . . . ?
C4 N1 C5 O4 1(2) . . . . ?
C4 C1 C2 C3 41.6(15) . . . . ?
C5 O4 C6 C7 -67(2) . . . . ?
C5 O4 C6 C8 178.3(17) . . . . ?
C5 O4 C6 C9 61(2) . . . . ?
C5 N1 C3 C2 -162.5(15) . . . . ?
C5 N1 C4 C1 -171.8(14) . . . . ?
C6 O4 C5 O3 0(2) . . . . ?
C6 O4 C5 N1 179.5(14) . . . . ?
C10 C11 C12 N2 -30.8(19) . . . . ?
C11 C10 C13 N2 -33.3(16) . . . . ?
C12 N2 C13 C10 14.7(19) . . . . ?
C12 N2 C14 O1 -5(3) . . . . ?
C12 N2 C14 O2 174.0(16) . . . . ?
C13 N2 C12 C11 11(2) . . . . ?
C13 N2 C14 O1 -178.7(18) . . . . ?
C13 N2 C14 O2 0(2) . . . . ?
C13 C10 C11 C12 40.1(18) . . . . ?
C14 O2 C15 C16 61(2) . . . . ?
C14 O2 C15 C17 179(2) . . . . ?
C14 O2 C15 C18 -62(2) . . . . ?
C14 N2 C12 C11 -163.6(17) . . . . ?
C14 N2 C13 C10 -171.0(16) . . . . ?
C15 O2 C14 O1 -2(3) . . . . ?
C15 O2 C14 N2 178.8(15) . . . . ?
C19 C21 C22 N3 -29.7(18) . . . . ?
C20 N3 C22 C21 9.1(19) . . . . ?
C20 N3 C23 O5 -173.5(17) . . . . ?
C20 N3 C23 O6 9(2) . . . . ?
C20 C19 C21 C22 39.8(16) . . . . ?
C21 C19 C20 N3 -33.1(14) . . . . ?
C22 N3 C20 C19 14.6(17) . . . . ?
C22 N3 C23 O5 -13(3) . . . . ?
C22 N3 C23 O6 169.3(14) . . . . ?
C23 O6 C24 C25 179.9(16) . . . . ?
C23 O6 C24 C26 -60(2) . . . . ?
C23 O6 C24 C27 63(2) . . . . ?
C23 N3 C20 C19 176.1(15) . . . . ?
C23 N3 C22 C21 -154.4(15) . . . . ?
C24 O6 C23 O5 -3(2) . . . . ?
C24 O6 C23 N3 175.3(13) . . . . ?
C28 C30 C31 N4 -29(2) . . . . ?
C29 N4 C31 C30 11(2) . . . . ?
C29 N4 C32 O7 -179.4(17) . . . . ?
C29 N4 C32 O8 1(2) . . . . ?
C29 C28 C30 C31 36.2(18) . . . . ?
C30 C28 C29 N4 -29.3(15) . . . . ?
C31 N4 C29 C28 12.3(18) . . . . ?
C31 N4 C32 O7 -10(3) . . . . ?
C31 N4 C32 O8 170.5(15) . . . . ?
C32 O8 C33 C34 -179.1(19) . . . . ?
C32 O8 C33 C35 -61(2) . . . . ?
C32 O8 C33 C36 61(2) . . . . ?
C32 N4 C29 C28 -177.3(15) . . . . ?
C32 N4 C31 C30 -159.8(17) . . . . ?
C33 O8 C32 O7 0(3) . . . . ?
C33 O8 C32 N4 179.6(13) . . . . ?
C37 C38 C39 N5 -31.2(16) . . . . ?
C38 C37 C40 N5 -33.0(14) . . . . ?
C39 N5 C40 C37 14.9(16) . . . . ?
C39 N5 C41 O9 -8(2) . . . . ?
C39 N5 C41 O10 169.9(14) . . . . ?
C40 N5 C39 C38 10.4(17) . . . . ?
C40 N5 C41 O9 179.4(16) . . . . ?
C40 N5 C41 O10 -3(2) . . . . ?
C40 C37 C38 C39 39.4(15) . . . . ?
C41 O10 C42 C43 58(2) . . . . ?
C41 O10 C42 C44 -63(2) . . . . ?
C41 O10 C42 C45 -179.6(19) . . . . ?
C41 N5 C39 C38 -163.0(14) . . . . ?
C41 N5 C40 C37 -171.8(13) . . . . ?
C42 O10 C41 O9 1(3) . . . . ?
C42 O10 C41 N5 -176.6(15) . . . . ?
C46 C47 C48 N6 -32.4(17) . . . . ?
C47 C46 C49 N6 -30.0(15) . . . . ?
C48 N6 C49 C46 10.3(16) . . . . ?
C48 N6 C50 O11 -5(2) . . . . ?
C48 N6 C50 O12 173.0(14) . . . . ?
C49 N6 C48 C47 14.0(18) . . . . ?
C49 N6 C50 O11 -179.9(16) . . . . ?
C49 N6 C50 O12 -2(2) . . . . ?
C49 C46 C47 C48 38.8(16) . . . . ?
C50 O12 C51 C52 177.5(17) . . . . ?
C50 O12 C51 C53 58(2) . . . . ?
C50 O12 C51 C54 -63(2) . . . . ?
C50 N6 C48 C47 -161.7(15) . . . . ?
C50 N6 C49 C46 -174.2(14) . . . . ?
C51 O12 C50 O11 -2(2) . . . . ?
C51 O12 C50 N6 179.8(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.608
_oxdiff_exptl_absorpt_empirical_full_min 0.638
####################################################################### 
# 
# 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_r-ag5-danti
_database_code_depnum_ccdc_archive 'CCDC 2192031'
loop_
_audit_author_name
_audit_author_address
'Xi-Ming Luo'
;ZhengZhou university
China
;
_audit_update_record             
;
2022-09-26 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
_audit_creation_date             2022-09-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
# start Validation Reply Form
_vrf_PLAT342_r-ag5-danti         
;
PROBLEM:Low Bond Precision on  C-C Bonds ...............       0.02608 Ang 
RESPONSE: This is attributed to the disordered group. No split was
applied to this molecule/group for clarity.
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H96 Ag5 N6 O12 S6, 2(C H4 O)'
_chemical_formula_sum            'C56 H104 Ag5 N6 O14 S6'
_chemical_formula_weight         1817.16
_chemical_absolute_configuration syn
_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 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   10.5113(7)
_cell_length_b                   13.7344(12)
_cell_length_c                   15.1850(14)
_cell_angle_alpha                64.591(9)
_cell_angle_beta                 71.808(7)
_cell_angle_gamma                78.249(7)
_cell_volume                     1875.0(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    7169
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      73.1830
_cell_measurement_theta_min      3.5730
_shelx_estimated_absorpt_T_max   0.578
_shelx_estimated_absorpt_T_min   0.372
_exptl_absorpt_coefficient_mu    12.332
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.40182
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             925
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_unetI/netI     0.0662
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17473
_diffrn_reflns_point_group_measured_fraction_full 0.639
_diffrn_reflns_point_group_measured_fraction_max 0.610
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.629
_diffrn_reflns_theta_min         3.332
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     37.00  76.00   0.50    0.50    --    0.00  38.00-180.00   78
  2  ω    -24.00   4.00   0.50    0.50    --    0.00  57.00 -90.00   56
  3  ω    -88.00 -13.00   0.50    0.50    --    0.00 -57.00-150.00  150
  4  ω    -28.00  33.00   0.50    0.50    --    0.00  38.00-180.00  122
  5  ω    -89.00  27.00   0.50    0.50    --    0.00 -57.00 -60.00  232
  6  ω     21.00  73.00   0.50    2.00    --   98.80 -61.00 -60.00  104
  7  ω     13.00  60.00   0.50    2.00    --   98.80 -30.00 120.00   94
  8  ω     10.00  73.00   0.50    2.00    --   98.80 -82.00 120.00  126
  9  ω    145.00 171.00   0.50    2.00    --   98.80  45.00-180.00   52
 10  ω     10.00  68.00   0.50    2.00    --   98.80 -30.00 150.00  116
 11  ω     33.00  59.00   0.50    2.00    --   98.80 -82.00-180.00   52
 12  ω     87.00 113.00   0.50    2.00    --   98.80 -82.00-180.00   52
 13  ω      9.00 132.00   0.50    2.00    --   98.80 -30.00 -30.00  246
 14  ω     83.00 136.00   0.50    2.00    --   98.80 -82.00  90.00  106
 15  ω     10.00 121.00   0.50    2.00    --   98.80 -82.00-120.00  222
 16  ω     55.00  80.00   0.50    2.00    --   98.80 -82.00  90.00   50
 17  ω     67.00 136.00   0.50    2.00    --   98.80 -82.00  30.00  138
 18  ω     81.00 187.00   0.50    2.00    --   98.80  30.00  90.00  212
 19  ω     78.00 118.00   0.50    2.00    --   98.80 -61.00 -60.00   80
 20  ω     86.00 113.00   0.50    2.00    --   98.80 -82.00   0.00   54
 21  ω     84.00 112.00   0.50    2.00    --   98.80 -82.00 120.00   56
 22  ω     29.00 124.00   0.50    2.00    --   98.80 -82.00 -60.00  190
 23  ω     15.00  83.00   0.50    2.00    --   98.80 -45.00-150.00  136
 24  ω     45.00 160.00   0.50    2.00    --   98.80   0.00-150.00  230
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0493052000
_diffrn_orient_matrix_UB_12      -0.0576802000
_diffrn_orient_matrix_UB_13      -0.0493117000
_diffrn_orient_matrix_UB_21      -0.1220270000
_diffrn_orient_matrix_UB_22      0.0839958000
_diffrn_orient_matrix_UB_23      -0.0123734000
_diffrn_orient_matrix_UB_31      0.0814395000
_diffrn_orient_matrix_UB_32      0.0717002000
_diffrn_orient_matrix_UB_33      -0.1044135000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.273
_reflns_Friedel_fraction_full    0.284
_reflns_Friedel_fraction_max     0.261
_reflns_number_gt                8332
_reflns_number_total             9231
_reflns_odcompleteness_completeness 99.37
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.896
_refine_diff_density_min         -1.801
_refine_diff_density_rms         0.167
_refine_ls_abs_structure_details 
;
 Flack x determined using 1639 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.026(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     806
_refine_ls_number_reflns         9231
_refine_ls_number_restraints     17
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0596
_refine_ls_restrained_S_all      1.081
_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)+(0.1111P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1557
_refine_ls_wR_factor_ref         0.1601
_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, All O(H) groups
2. Restrained distances
 H14-H13_$1
 2.1 with sigma of 0.04
 H55A-H10
 2.1 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(O14) \\sim Ueq, Uanis(C56) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4.a Ternary CH refined with riding coordinates:
 C1(H1), C10(H10), C19(H19), C28(H28), C37(H37), C46(H46)
4.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C29(H29A,H29B),
  C30(H30A,H30B), C31(H31A,H31B), C38(H38A,H38B), C39(H39A,H39B), C40(H40A,
 H40B), C47(H47A,H47B), C48(H48A,H48B), C49(H49A,H49B)
4.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C), C27(H27A,H27B,H27C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C),
 C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C55(H55A,H55B,
 H55C), C56(H56A,H56B,H56C)
4.d Idealised tetrahedral OH refined as rotating group:
 O13(H13), O14(H14)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.63300(8) 0.55630(7) 0.56240(7) 0.0401(2) Uani 1 1 d . . . . .
Ag2 Ag 0.38546(9) 0.65797(7) 0.44649(7) 0.0429(2) Uani 1 1 d . . . . .
Ag3 Ag 0.66116(9) 0.39663(7) 0.44491(8) 0.0439(2) Uani 1 1 d . . . . .
Ag4 Ag 0.39864(8) 0.40819(7) 0.70950(7) 0.0420(2) Uani 1 1 d . . . . .
Ag5 Ag 0.33954(8) 0.41505(7) 0.50292(7) 0.0401(2) Uani 1 1 d . . . . .
S1 S 0.5604(3) 0.4691(3) 0.7498(2) 0.0385(6) Uani 1 1 d . . . . .
S2 S 0.5336(3) 0.7403(2) 0.4785(3) 0.0396(7) Uani 1 1 d . . . . .
S3 S 0.8246(3) 0.4694(3) 0.4724(3) 0.0413(7) Uani 1 1 d . . . . .
S4 S 0.2399(3) 0.3276(3) 0.6860(2) 0.0394(7) Uani 1 1 d . . . . .
S5 S 0.2405(3) 0.5892(3) 0.3974(3) 0.0393(6) Uani 1 1 d . . . . .
S6 S 0.5124(3) 0.3168(3) 0.4094(3) 0.0410(7) Uani 1 1 d . . . . .
O1 O 0.5817(13) 0.0984(9) 1.0732(8) 0.060(3) Uani 1 1 d . . . . .
O2 O 0.7486(17) -0.0034(11) 1.0063(11) 0.089(5) Uani 1 1 d . . . . .
O3 O 0.1811(11) 1.0677(8) 0.5155(9) 0.053(3) Uani 1 1 d . . . . .
O4 O 0.0552(12) 0.9878(10) 0.6778(10) 0.069(3) Uani 1 1 d . . . . .
O5 O 1.1423(10) 0.5144(10) 0.1043(9) 0.056(3) Uani 1 1 d . . . . .
O6 O 1.0885(16) 0.6929(11) 0.0115(10) 0.081(4) Uani 1 1 d . . . . .
O7 O -0.1323(10) 0.3729(8) 1.0036(8) 0.048(2) Uani 1 1 d . . . . .
O8 O -0.2410(11) 0.5359(9) 0.9288(9) 0.059(3) Uani 1 1 d . . . . .
O9 O 0.2746(11) 0.8955(8) 0.0260(8) 0.053(2) Uani 1 1 d . . . . .
O10 O 0.4751(12) 0.8439(9) -0.0609(8) 0.061(3) Uani 1 1 d . . . . .
O11 O 0.8393(10) -0.0461(9) 0.4455(9) 0.054(3) Uani 1 1 d . . . . .
O12 O 0.7805(14) -0.1416(9) 0.6135(11) 0.072(3) Uani 1 1 d . . . . .
N1 N 0.6846(14) 0.1688(10) 0.9104(10) 0.055(3) Uani 1 1 d . . . . .
N2 N 0.2497(12) 0.9057(8) 0.6131(9) 0.044(3) Uani 1 1 d . . . . .
N3 N 0.9952(11) 0.6128(9) 0.1795(9) 0.045(3) Uani 1 1 d . . . . .
N4 N -0.0740(11) 0.4592(9) 0.8380(8) 0.040(2) Uani 1 1 d . . . . .
N5 N 0.3861(12) 0.7446(10) 0.1040(9) 0.046(3) Uani 1 1 d . . . . .
N6 N 0.6651(12) 0.0155(9) 0.5397(9) 0.044(2) Uani 1 1 d . . . . .
C1 C 0.6654(13) 0.3491(11) 0.7958(11) 0.042(3) Uani 1 1 d . . . . .
H1 H 0.745940 0.372326 0.801066 0.051 Uiso 1 1 calc R . . . .
C2 C 0.7181(18) 0.2747(13) 0.7399(11) 0.058(4) Uani 1 1 d . . . . .
H2A H 0.791782 0.306308 0.679558 0.070 Uiso 1 1 calc R . . . .
H2B H 0.645636 0.261509 0.718474 0.070 Uiso 1 1 calc R . . . .
C3 C 0.770(2) 0.1692(15) 0.8163(13) 0.068(5) Uani 1 1 d . . . . .
H3A H 0.759316 0.105406 0.805451 0.081 Uiso 1 1 calc R . . . .
H3B H 0.865181 0.170456 0.812307 0.081 Uiso 1 1 calc R . . . .
C4 C 0.6002(15) 0.2699(11) 0.9024(11) 0.048(3) Uani 1 1 d . . . . .
H4A H 0.602817 0.294251 0.954412 0.057 Uiso 1 1 calc R . . . .
H4B H 0.505898 0.261629 0.909025 0.057 Uiso 1 1 calc R . . . .
C5 C 0.6767(19) 0.0807(13) 0.9988(15) 0.061(4) Uani 1 1 d . . . . .
C6 C 0.552(2) 0.0129(13) 1.1769(12) 0.059(4) Uani 1 1 d . . . . .
C7 C 0.676(2) -0.0157(18) 1.2168(14) 0.078(6) Uani 1 1 d . . . . .
H7A H 0.739972 -0.063687 1.188124 0.118 Uiso 1 1 calc GR . . . .
H7B H 0.650164 -0.052338 1.290431 0.118 Uiso 1 1 calc GR . . . .
H7C H 0.717730 0.050534 1.197663 0.118 Uiso 1 1 calc GR . . . .
C8 C 0.513(3) -0.0838(16) 1.1720(16) 0.087(7) Uani 1 1 d . . . . .
H8A H 0.430665 -0.063589 1.148048 0.131 Uiso 1 1 calc GR . . . .
H8B H 0.495875 -0.142201 1.239234 0.131 Uiso 1 1 calc GR . . . .
H8C H 0.585221 -0.108332 1.125388 0.131 Uiso 1 1 calc GR . . . .
C9 C 0.437(3) 0.068(2) 1.2307(15) 0.112(10) Uani 1 1 d . . . . .
H9A H 0.460257 0.138819 1.218228 0.168 Uiso 1 1 calc GR . . . .
H9B H 0.416155 0.023504 1.303272 0.168 Uiso 1 1 calc GR . . . .
H9C H 0.357542 0.076957 1.205822 0.168 Uiso 1 1 calc GR . . . .
C10 C 0.4338(14) 0.7911(10) 0.5745(11) 0.042(3) Uani 1 1 d . . . . .
H10 H 0.496426 0.801786 0.606889 0.050 Uiso 1 1 calc DR . . . .
C11 C 0.3269(15) 0.7240(10) 0.6556(11) 0.046(3) Uani 1 1 d . . . . .
H11A H 0.365939 0.661838 0.706229 0.055 Uiso 1 1 calc R . . . .
H11B H 0.275906 0.696484 0.627278 0.055 Uiso 1 1 calc R . . . .
C12 C 0.2355(17) 0.8014(13) 0.7030(12) 0.054(4) Uani 1 1 d . . . . .
H12A H 0.141354 0.781850 0.730657 0.064 Uiso 1 1 calc R . . . .
H12B H 0.268365 0.803337 0.756614 0.064 Uiso 1 1 calc R . . . .
C13 C 0.3561(13) 0.8991(10) 0.5300(11) 0.040(3) Uani 1 1 d . . . . .
H13A H 0.414009 0.959514 0.501630 0.048 Uiso 1 1 calc R . . . .
H13B H 0.320450 0.900772 0.476156 0.048 Uiso 1 1 calc R . . . .
C14 C 0.1509(15) 0.9879(13) 0.6081(14) 0.053(4) Uani 1 1 d . . . . .
C15 C 0.0949(17) 1.1707(12) 0.4897(16) 0.060(5) Uani 1 1 d . . . . .
C16 C 0.161(3) 1.2312(15) 0.3808(19) 0.088(7) Uani 1 1 d . . . . .
H16A H 0.249749 1.249465 0.374781 0.131 Uiso 1 1 calc GR . . . .
H16B H 0.105524 1.297818 0.353133 0.131 Uiso 1 1 calc GR . . . .
H16C H 0.171520 1.186001 0.343251 0.131 Uiso 1 1 calc GR . . . .
C17 C 0.0962(19) 1.2263(14) 0.5574(17) 0.067(5) Uani 1 1 d . . . . .
H17A H 0.069526 1.176490 0.628160 0.100 Uiso 1 1 calc GR . . . .
H17B H 0.033000 1.290988 0.545308 0.100 Uiso 1 1 calc GR . . . .
H17C H 0.186866 1.247074 0.542177 0.100 Uiso 1 1 calc GR . . . .
C18 C -0.049(2) 1.1476(17) 0.505(2) 0.089(7) Uani 1 1 d . . . . .
H18A H -0.047237 1.105605 0.466359 0.133 Uiso 1 1 calc GR . . . .
H18B H -0.103333 1.216037 0.481959 0.133 Uiso 1 1 calc GR . . . .
H18C H -0.087323 1.106248 0.576821 0.133 Uiso 1 1 calc GR . . . .
C19 C 0.8978(13) 0.5715(10) 0.3490(10) 0.038(3) Uani 1 1 d . . . . .
H19 H 0.956944 0.612147 0.359254 0.046 Uiso 1 1 calc R . . . .
C20 C 0.9839(12) 0.5212(10) 0.2768(10) 0.039(3) Uani 1 1 d . . . . .
H20A H 1.073011 0.492561 0.290845 0.047 Uiso 1 1 calc R . . . .
H20B H 0.939763 0.462199 0.279912 0.047 Uiso 1 1 calc R . . . .
C21 C 0.8980(15) 0.7041(12) 0.1857(13) 0.053(3) Uani 1 1 d . . . . .
H21A H 0.849501 0.731308 0.132188 0.064 Uiso 1 1 calc R . . . .
H21B H 0.942271 0.764026 0.180660 0.064 Uiso 1 1 calc R . . . .
C22 C 0.8033(13) 0.6534(11) 0.2904(11) 0.045(3) Uani 1 1 d . . . . .
H22A H 0.761616 0.707997 0.319566 0.054 Uiso 1 1 calc R . . . .
H22B H 0.731797 0.618118 0.288143 0.054 Uiso 1 1 calc R . . . .
C23 C 1.0766(18) 0.6149(15) 0.0896(14) 0.059(4) Uani 1 1 d . . . . .
C24 C 1.2406(17) 0.4951(17) 0.0192(16) 0.064(5) Uani 1 1 d . . . . .
C25 C 1.284(2) 0.378(2) 0.067(2) 0.102(9) Uani 1 1 d . . . . .
H25A H 1.314608 0.364412 0.125831 0.152 Uiso 1 1 calc GR . . . .
H25B H 1.357023 0.356831 0.018026 0.152 Uiso 1 1 calc GR . . . .
H25C H 1.207570 0.334736 0.087767 0.152 Uiso 1 1 calc GR . . . .
C26 C 1.168(2) 0.517(2) -0.0616(16) 0.079(6) Uani 1 1 d . . . . .
H26A H 1.109119 0.458894 -0.038146 0.118 Uiso 1 1 calc GR . . . .
H26B H 1.234542 0.518573 -0.124097 0.118 Uiso 1 1 calc GR . . . .
H26C H 1.114323 0.586275 -0.074313 0.118 Uiso 1 1 calc GR . . . .
C27 C 1.356(2) 0.562(2) -0.019(2) 0.092(8) Uani 1 1 d . . . . .
H27A H 1.326397 0.638531 -0.052131 0.138 Uiso 1 1 calc GR . . . .
H27B H 1.427173 0.539681 -0.068141 0.138 Uiso 1 1 calc GR . . . .
H27C H 1.390841 0.552547 0.037023 0.138 Uiso 1 1 calc GR . . . .
C28 C 0.0772(13) 0.3971(11) 0.7175(10) 0.038(3) Uani 1 1 d . . . . .
H28 H 0.011603 0.373347 0.696525 0.046 Uiso 1 1 calc R . . . .
C29 C 0.0665(15) 0.5215(12) 0.6731(12) 0.051(3) Uani 1 1 d . . . . .
H29A H 0.063361 0.551533 0.601673 0.062 Uiso 1 1 calc R . . . .
H29B H 0.143096 0.548969 0.677886 0.062 Uiso 1 1 calc R . . . .
C30 C -0.0666(13) 0.5498(12) 0.7398(12) 0.049(3) Uani 1 1 d . . . . .
H30A H -0.064965 0.619226 0.744514 0.058 Uiso 1 1 calc R . . . .
H30B H -0.143665 0.554555 0.713370 0.058 Uiso 1 1 calc R . . . .
C31 C 0.0274(15) 0.3690(11) 0.8306(10) 0.044(3) Uani 1 1 d . . . . .
H31A H -0.013501 0.298944 0.866207 0.053 Uiso 1 1 calc R . . . .
H31B H 0.101678 0.365397 0.859348 0.053 Uiso 1 1 calc R . . . .
C32 C -0.1561(13) 0.4608(11) 0.9240(10) 0.040(3) Uani 1 1 d . . . . .
C33 C -0.2077(15) 0.3550(15) 1.1078(12) 0.053(4) Uani 1 1 d . . . . .
C34 C -0.138(2) 0.2514(18) 1.1674(14) 0.071(5) Uani 1 1 d . . . . .
H34A H -0.130313 0.197455 1.139342 0.107 Uiso 1 1 calc GR . . . .
H34B H -0.190162 0.224266 1.237882 0.107 Uiso 1 1 calc GR . . . .
H34C H -0.048046 0.264866 1.163688 0.107 Uiso 1 1 calc GR . . . .
C35 C -0.1951(18) 0.4508(17) 1.1311(14) 0.065(4) Uani 1 1 d . . . . .
H35A H -0.100192 0.457142 1.121780 0.097 Uiso 1 1 calc GR . . . .
H35B H -0.244298 0.438614 1.200905 0.097 Uiso 1 1 calc GR . . . .
H35C H -0.232977 0.517704 1.085314 0.097 Uiso 1 1 calc GR . . . .
C36 C -0.3531(17) 0.3442(19) 1.1194(15) 0.068(5) Uani 1 1 d . . . . .
H36A H -0.404072 0.330163 1.189247 0.103 Uiso 1 1 calc GR . . . .
H36B H -0.358405 0.284090 1.102539 0.103 Uiso 1 1 calc GR . . . .
H36C H -0.390895 0.411403 1.074043 0.103 Uiso 1 1 calc GR . . . .
C37 C 0.3243(13) 0.6142(11) 0.2645(10) 0.038(3) Uani 1 1 d . . . . .
H37 H 0.296882 0.560136 0.247401 0.045 Uiso 1 1 calc R . . . .
C38 C 0.4736(13) 0.6110(11) 0.2339(11) 0.044(3) Uani 1 1 d . . . . .
H38A H 0.514545 0.535576 0.254434 0.052 Uiso 1 1 calc R . . . .
H38B H 0.506453 0.649566 0.263555 0.052 Uiso 1 1 calc R . . . .
C39 C 0.5047(13) 0.6691(12) 0.1183(11) 0.044(3) Uani 1 1 d . . . . .
H39A H 0.587258 0.707768 0.090969 0.053 Uiso 1 1 calc R . . . .
H39B H 0.514971 0.617765 0.086171 0.053 Uiso 1 1 calc R . . . .
C40 C 0.2800(13) 0.7276(10) 0.1956(10) 0.040(3) Uani 1 1 d . . . . .
H40A H 0.191356 0.729499 0.184605 0.048 Uiso 1 1 calc R . . . .
H40B H 0.276327 0.781940 0.223148 0.048 Uiso 1 1 calc R . . . .
C41 C 0.3868(15) 0.8291(12) 0.0144(11) 0.048(3) Uani 1 1 d . . . . .
C42 C 0.2507(19) 0.9978(13) -0.0605(12) 0.064(4) Uani 1 1 d . . . . .
C43 C 0.241(2) 0.9688(18) -0.1445(14) 0.077(6) Uani 1 1 d . . . . .
H43A H 0.330633 0.946900 -0.178279 0.116 Uiso 1 1 calc GR . . . .
H43B H 0.202190 1.031943 -0.193447 0.116 Uiso 1 1 calc GR . . . .
H43C H 0.183130 0.909118 -0.115657 0.116 Uiso 1 1 calc GR . . . .
C44 C 0.358(2) 1.0707(13) -0.0938(18) 0.083(6) Uani 1 1 d . . . . .
H44A H 0.373843 1.073504 -0.034759 0.124 Uiso 1 1 calc GR . . . .
H44B H 0.329744 1.143451 -0.137636 0.124 Uiso 1 1 calc GR . . . .
H44C H 0.440644 1.043344 -0.131010 0.124 Uiso 1 1 calc GR . . . .
C45 C 0.115(3) 1.0421(19) -0.0109(18) 0.098(8) Uani 1 1 d . . . . .
H45A H 0.044504 0.997218 0.001454 0.147 Uiso 1 1 calc GR . . . .
H45B H 0.094212 1.116647 -0.055616 0.147 Uiso 1 1 calc GR . . . .
H45C H 0.118503 1.040880 0.053278 0.147 Uiso 1 1 calc GR . . . .
C46 C 0.5223(12) 0.1737(11) 0.4916(10) 0.038(3) Uani 1 1 d . . . . .
H46 H 0.441940 0.142121 0.495578 0.046 Uiso 1 1 calc R . . . .
C47 C 0.5309(17) 0.1420(12) 0.5995(12) 0.056(4) Uani 1 1 d . . . . .
H47A H 0.441741 0.152516 0.643281 0.067 Uiso 1 1 calc R . . . .
H47B H 0.594750 0.184988 0.600844 0.067 Uiso 1 1 calc R . . . .
C48 C 0.581(2) 0.0221(14) 0.6328(14) 0.064(4) Uani 1 1 d . . . . .
H48A H 0.633791 0.000983 0.683121 0.077 Uiso 1 1 calc R . . . .
H48B H 0.505828 -0.024496 0.661559 0.077 Uiso 1 1 calc R . . . .
C49 C 0.6481(13) 0.1107(10) 0.4515(11) 0.040(3) Uani 1 1 d . . . . .
H49A H 0.634573 0.090822 0.399848 0.049 Uiso 1 1 calc R . . . .
H49B H 0.727125 0.153700 0.421890 0.049 Uiso 1 1 calc R . . . .
C50 C 0.7651(15) -0.0644(11) 0.5382(12) 0.048(3) Uani 1 1 d . . . . .
C51 C 0.9532(13) -0.1242(13) 0.4244(15) 0.055(4) Uani 1 1 d . . . . .
C52 C 1.0581(18) -0.1345(17) 0.476(2) 0.078(6) Uani 1 1 d . . . . .
H52A H 1.085519 -0.062708 0.456920 0.118 Uiso 1 1 calc GR . . . .
H52B H 1.136095 -0.180084 0.455166 0.118 Uiso 1 1 calc GR . . . .
H52C H 1.021577 -0.167629 0.548949 0.118 Uiso 1 1 calc GR . . . .
C53 C 0.9001(19) -0.2310(16) 0.457(2) 0.084(7) Uani 1 1 d . . . . .
H53A H 0.874144 -0.265451 0.530485 0.126 Uiso 1 1 calc GR . . . .
H53B H 0.969914 -0.277726 0.430039 0.126 Uiso 1 1 calc GR . . . .
H53C H 0.821521 -0.219546 0.430696 0.126 Uiso 1 1 calc GR . . . .
C54 C 1.001(2) -0.070(2) 0.313(2) 0.100(8) Uani 1 1 d . . . . .
H54A H 0.927717 -0.060064 0.282230 0.150 Uiso 1 1 calc GR . . . .
H54B H 1.076105 -0.115098 0.288124 0.150 Uiso 1 1 calc GR . . . .
H54C H 1.031463 0.000466 0.295129 0.150 Uiso 1 1 calc GR . . . .
O13 O 0.6572(15) 0.7416(12) 0.8232(12) 0.079(4) Uani 1 1 d . . . . .
H13 H 0.721065 0.694854 0.837435 0.119 Uiso 1 1 calc DGR . . . .
C55 C 0.5912(17) 0.7153(13) 0.7680(14) 0.059(4) Uani 1 1 d . . . . .
H55A H 0.520606 0.772406 0.747386 0.088 Uiso 1 1 calc DGR . . . .
H55B H 0.550965 0.646375 0.810724 0.088 Uiso 1 1 calc GR . . . .
H55C H 0.656576 0.709118 0.708075 0.088 Uiso 1 1 calc GR . . . .
O14 O 0.846(3) -0.135(3) 0.7961(19) 0.153(9) Uani 1 1 d . U . . .
H14 H 0.769930 -0.148809 0.799201 0.230 Uiso 1 1 calc DGR . . . .
C56 C 0.861(3) -0.169(3) 0.893(3) 0.122(10) Uani 1 1 d . U . . .
H56A H 0.923952 -0.125365 0.892031 0.184 Uiso 1 1 calc GR . . . .
H56B H 0.894965 -0.245374 0.916110 0.184 Uiso 1 1 calc GR . . . .
H56C H 0.773272 -0.160533 0.937756 0.184 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 Ag2 3.3299(13) . ?
Ag1 Ag3 3.2929(13) . ?
Ag1 Ag4 3.1467(14) . ?
Ag1 S1 2.492(3) . ?
Ag1 S2 2.469(3) . ?
Ag1 S3 2.459(3) . ?
Ag2 Ag5 3.1689(13) . ?
Ag2 S2 2.368(3) . ?
Ag2 S5 2.382(3) . ?
Ag3 Ag5 3.2019(13) . ?
Ag3 S3 2.373(4) . ?
Ag3 S6 2.381(4) . ?
Ag4 Ag5 3.3428(14) . ?
Ag4 S1 2.374(3) . ?
Ag4 S4 2.366(3) . ?
Ag5 S4 2.470(3) . ?
Ag5 S5 2.472(3) . ?
Ag5 S6 2.485(3) . ?
S1 C1 1.781(14) . ?
S2 C10 1.825(15) . ?
S3 C19 1.831(14) . ?
S4 C28 1.811(13) . ?
S5 C37 1.840(14) . ?
S6 C46 1.823(14) . ?
O1 C5 1.33(2) . ?
O1 C6 1.487(19) . ?
O2 C5 1.23(2) . ?
O3 C14 1.35(2) . ?
O3 C15 1.484(15) . ?
O4 C14 1.21(2) . ?
O5 C23 1.37(2) . ?
O5 C24 1.469(17) . ?
O6 C23 1.20(2) . ?
O7 C32 1.340(17) . ?
O7 C33 1.467(18) . ?
O8 C32 1.231(16) . ?
O9 C41 1.350(17) . ?
O9 C42 1.497(16) . ?
O10 C41 1.194(18) . ?
O11 C50 1.32(2) . ?
O11 C51 1.490(14) . ?
O12 C50 1.21(2) . ?
N1 C3 1.43(2) . ?
N1 C4 1.467(16) . ?
N1 C5 1.36(2) . ?
N2 C12 1.49(2) . ?
N2 C13 1.424(18) . ?
N2 C14 1.363(17) . ?
N3 C20 1.462(18) . ?
N3 C21 1.464(17) . ?
N3 C23 1.36(2) . ?
N4 C30 1.467(19) . ?
N4 C31 1.480(16) . ?
N4 C32 1.328(17) . ?
N5 C39 1.458(16) . ?
N5 C40 1.447(18) . ?
N5 C41 1.357(19) . ?
N6 C48 1.44(2) . ?
N6 C49 1.444(17) . ?
N6 C50 1.360(16) . ?
C1 C2 1.51(2) . ?
C1 C4 1.54(2) . ?
C2 C3 1.540(19) . ?
C6 C7 1.51(3) . ?
C6 C8 1.51(2) . ?
C6 C9 1.50(3) . ?
C10 C11 1.49(2) . ?
C10 C13 1.521(16) . ?
C11 C12 1.543(18) . ?
C15 C16 1.50(3) . ?
C15 C17 1.52(2) . ?
C15 C18 1.53(3) . ?
C19 C20 1.508(18) . ?
C19 C22 1.511(17) . ?
C21 C22 1.53(2) . ?
C24 C25 1.50(3) . ?
C24 C26 1.53(3) . ?
C24 C27 1.49(3) . ?
C28 C29 1.538(19) . ?
C28 C31 1.526(19) . ?
C29 C30 1.539(19) . ?
C33 C34 1.51(3) . ?
C33 C35 1.54(2) . ?
C33 C36 1.51(2) . ?
C37 C38 1.488(18) . ?
C37 C40 1.532(17) . ?
C38 C39 1.54(2) . ?
C42 C43 1.53(3) . ?
C42 C44 1.48(3) . ?
C42 C45 1.53(3) . ?
C46 C47 1.53(2) . ?
C46 C49 1.533(15) . ?
C47 C48 1.53(2) . ?
C51 C52 1.49(2) . ?
C51 C53 1.50(2) . ?
C51 C54 1.49(3) . ?
O13 C55 1.43(2) . ?
O14 C56 1.38(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag3 Ag1 Ag2 77.21(3) . . ?
Ag4 Ag1 Ag2 76.60(3) . . ?
Ag4 Ag1 Ag3 80.23(3) . . ?
S1 Ag1 Ag2 115.43(8) . . ?
S1 Ag1 Ag3 115.11(8) . . ?
S1 Ag1 Ag4 48.09(8) . . ?
S2 Ag1 Ag2 45.24(8) . . ?
S2 Ag1 Ag3 113.44(9) . . ?
S2 Ag1 Ag4 108.49(9) . . ?
S2 Ag1 S1 117.89(11) . . ?
S3 Ag1 Ag2 113.07(9) . . ?
S3 Ag1 Ag3 45.95(8) . . ?
S3 Ag1 Ag4 115.37(9) . . ?
S3 Ag1 S1 118.68(11) . . ?
S3 Ag1 S2 122.63(12) . . ?
Ag5 Ag2 Ag1 86.32(3) . . ?
S2 Ag2 Ag1 47.76(7) . . ?
S2 Ag2 Ag5 134.04(8) . . ?
S2 Ag2 S5 174.16(13) . . ?
S5 Ag2 Ag1 136.32(8) . . ?
S5 Ag2 Ag5 50.49(8) . . ?
Ag5 Ag3 Ag1 86.41(3) . . ?
S3 Ag3 Ag1 48.15(8) . . ?
S3 Ag3 Ag5 134.56(8) . . ?
S3 Ag3 S6 175.17(11) . . ?
S6 Ag3 Ag1 136.67(8) . . ?
S6 Ag3 Ag5 50.26(8) . . ?
Ag1 Ag4 Ag5 86.45(3) . . ?
S1 Ag4 Ag1 51.36(8) . . ?
S1 Ag4 Ag5 137.57(9) . . ?
S4 Ag4 Ag1 134.02(9) . . ?
S4 Ag4 Ag5 47.57(8) . . ?
S4 Ag4 S1 173.07(12) . . ?
Ag2 Ag5 Ag3 80.87(3) . . ?
Ag2 Ag5 Ag4 76.12(3) . . ?
Ag3 Ag5 Ag4 78.69(3) . . ?
S4 Ag5 Ag2 109.43(8) . . ?
S4 Ag5 Ag3 112.96(8) . . ?
S4 Ag5 Ag4 45.00(8) . . ?
S4 Ag5 S5 121.55(11) . . ?
S4 Ag5 S6 121.68(11) . . ?
S5 Ag5 Ag2 48.01(8) . . ?
S5 Ag5 Ag3 113.44(9) . . ?
S5 Ag5 Ag4 116.01(9) . . ?
S5 Ag5 S6 115.56(12) . . ?
S6 Ag5 Ag2 116.75(9) . . ?
S6 Ag5 Ag3 47.46(8) . . ?
S6 Ag5 Ag4 116.12(9) . . ?
Ag4 S1 Ag1 80.55(10) . . ?
C1 S1 Ag1 110.4(5) . . ?
C1 S1 Ag4 102.9(5) . . ?
Ag2 S2 Ag1 87.00(11) . . ?
C10 S2 Ag1 108.9(4) . . ?
C10 S2 Ag2 106.8(5) . . ?
Ag3 S3 Ag1 85.90(11) . . ?
C19 S3 Ag1 108.9(4) . . ?
C19 S3 Ag3 105.1(4) . . ?
Ag4 S4 Ag5 87.43(11) . . ?
C28 S4 Ag4 107.1(4) . . ?
C28 S4 Ag5 108.8(5) . . ?
Ag2 S5 Ag5 81.50(10) . . ?
C37 S5 Ag2 103.5(4) . . ?
C37 S5 Ag5 108.0(4) . . ?
Ag3 S6 Ag5 82.28(11) . . ?
C46 S6 Ag3 105.6(4) . . ?
C46 S6 Ag5 108.7(4) . . ?
C5 O1 C6 121.1(13) . . ?
C14 O3 C15 120.7(13) . . ?
C23 O5 C24 119.7(14) . . ?
C32 O7 C33 123.0(11) . . ?
C41 O9 C42 120.4(12) . . ?
C50 O11 C51 121.0(12) . . ?
C3 N1 C4 114.0(12) . . ?
C5 N1 C3 123.2(13) . . ?
C5 N1 C4 122.7(13) . . ?
C13 N2 C12 112.9(10) . . ?
C14 N2 C12 120.4(13) . . ?
C14 N2 C13 125.2(13) . . ?
C20 N3 C21 112.4(11) . . ?
C23 N3 C20 126.3(12) . . ?
C23 N3 C21 121.1(14) . . ?
C30 N4 C31 111.9(10) . . ?
C32 N4 C30 123.9(11) . . ?
C32 N4 C31 124.1(11) . . ?
C40 N5 C39 113.6(11) . . ?
C41 N5 C39 120.8(12) . . ?
C41 N5 C40 125.1(11) . . ?
C48 N6 C49 113.4(11) . . ?
C50 N6 C48 121.9(13) . . ?
C50 N6 C49 123.8(12) . . ?
C2 C1 S1 121.5(11) . . ?
C2 C1 C4 101.8(12) . . ?
C4 C1 S1 113.4(9) . . ?
C1 C2 C3 104.8(13) . . ?
N1 C3 C2 102.4(12) . . ?
N1 C4 C1 102.7(11) . . ?
O1 C5 N1 111.2(13) . . ?
O2 C5 O1 125.7(17) . . ?
O2 C5 N1 123.1(18) . . ?
O1 C6 C7 109.0(14) . . ?
O1 C6 C8 108.1(14) . . ?
O1 C6 C9 101.5(14) . . ?
C8 C6 C7 111.2(17) . . ?
C9 C6 C7 114.0(19) . . ?
C9 C6 C8 112(2) . . ?
C11 C10 S2 117.3(9) . . ?
C11 C10 C13 102.6(11) . . ?
C13 C10 S2 112.2(10) . . ?
C10 C11 C12 104.6(11) . . ?
N2 C12 C11 100.3(11) . . ?
N2 C13 C10 104.2(12) . . ?
O3 C14 N2 108.5(13) . . ?
O4 C14 O3 127.3(14) . . ?
O4 C14 N2 124.1(17) . . ?
O3 C15 C16 102.4(15) . . ?
O3 C15 C17 108.9(12) . . ?
O3 C15 C18 109.7(12) . . ?
C16 C15 C17 113.3(16) . . ?
C16 C15 C18 112.1(18) . . ?
C17 C15 C18 110.2(17) . . ?
C20 C19 S3 112.0(9) . . ?
C20 C19 C22 103.5(11) . . ?
C22 C19 S3 118.1(10) . . ?
N3 C20 C19 102.1(10) . . ?
N3 C21 C22 102.2(12) . . ?
C19 C22 C21 102.0(11) . . ?
O6 C23 O5 126.8(16) . . ?
O6 C23 N3 124.9(16) . . ?
N3 C23 O5 108.4(15) . . ?
O5 C24 C25 102.1(17) . . ?
O5 C24 C26 108.4(14) . . ?
O5 C24 C27 110.7(13) . . ?
C25 C24 C26 111.4(18) . . ?
C27 C24 C25 111(2) . . ?
C27 C24 C26 113(2) . . ?
C29 C28 S4 117.8(10) . . ?
C31 C28 S4 111.4(9) . . ?
C31 C28 C29 102.6(11) . . ?
C28 C29 C30 103.0(12) . . ?
N4 C30 C29 103.2(10) . . ?
N4 C31 C28 103.5(11) . . ?
O8 C32 O7 124.8(13) . . ?
O8 C32 N4 123.4(13) . . ?
N4 C32 O7 111.8(11) . . ?
O7 C33 C34 102.3(13) . . ?
O7 C33 C35 109.3(13) . . ?
O7 C33 C36 108.7(13) . . ?
C34 C33 C35 112.5(16) . . ?
C34 C33 C36 112.8(16) . . ?
C36 C33 C35 110.9(15) . . ?
C38 C37 S5 117.4(9) . . ?
C38 C37 C40 103.9(11) . . ?
C40 C37 S5 110.5(8) . . ?
C37 C38 C39 102.9(10) . . ?
N5 C39 C38 102.2(10) . . ?
N5 C40 C37 101.3(10) . . ?
O9 C41 N5 108.8(12) . . ?
O10 C41 O9 126.0(14) . . ?
O10 C41 N5 125.1(14) . . ?
O9 C42 C43 108.7(14) . . ?
O9 C42 C45 100.6(14) . . ?
C43 C42 C45 111.8(18) . . ?
C44 C42 O9 110.2(14) . . ?
C44 C42 C43 112.8(17) . . ?
C44 C42 C45 112.0(19) . . ?
C47 C46 S6 118.6(10) . . ?
C47 C46 C49 101.5(10) . . ?
C49 C46 S6 112.6(9) . . ?
C46 C47 C48 103.6(13) . . ?
N6 C48 C47 102.5(13) . . ?
N6 C49 C46 103.9(11) . . ?
O11 C50 N6 111.2(12) . . ?
O12 C50 O11 126.0(13) . . ?
O12 C50 N6 122.8(15) . . ?
O11 C51 C52 110.9(12) . . ?
O11 C51 C53 109.0(12) . . ?
C52 C51 C53 111.7(16) . . ?
C54 C51 O11 100.8(14) . . ?
C54 C51 C52 111.9(18) . . ?
C54 C51 C53 112.2(18) . . ?

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 S1 C1 C2 -37.3(13) . . . . ?
Ag1 S1 C1 C4 -159.0(9) . . . . ?
Ag1 S2 C10 C11 -55.1(10) . . . . ?
Ag1 S2 C10 C13 -173.5(8) . . . . ?
Ag1 S3 C19 C20 -161.4(8) . . . . ?
Ag1 S3 C19 C22 -41.3(11) . . . . ?
Ag2 S2 C10 C11 37.5(10) . . . . ?
Ag2 S2 C10 C13 -80.9(10) . . . . ?
Ag2 S5 C37 C38 31.2(10) . . . . ?
Ag2 S5 C37 C40 -87.5(9) . . . . ?
Ag3 S3 C19 C20 -70.6(9) . . . . ?
Ag3 S3 C19 C22 49.5(10) . . . . ?
Ag3 S6 C46 C47 39.4(11) . . . . ?
Ag3 S6 C46 C49 -78.9(9) . . . . ?
Ag4 S1 C1 C2 47.3(13) . . . . ?
Ag4 S1 C1 C4 -74.5(11) . . . . ?
Ag4 S4 C28 C29 47.1(11) . . . . ?
Ag4 S4 C28 C31 -71.0(10) . . . . ?
Ag5 S4 C28 C29 -46.1(11) . . . . ?
Ag5 S4 C28 C31 -164.2(8) . . . . ?
Ag5 S5 C37 C38 -54.1(11) . . . . ?
Ag5 S5 C37 C40 -172.8(8) . . . . ?
Ag5 S6 C46 C47 -47.5(11) . . . . ?
Ag5 S6 C46 C49 -165.8(8) . . . . ?
S1 C1 C2 C3 -165.2(13) . . . . ?
S1 C1 C4 N1 163.9(10) . . . . ?
S2 C10 C11 C12 -163.2(10) . . . . ?
S2 C10 C13 N2 158.4(9) . . . . ?
S3 C19 C20 N3 163.0(8) . . . . ?
S3 C19 C22 C21 -167.0(10) . . . . ?
S4 C28 C29 C30 -162.7(10) . . . . ?
S4 C28 C31 N4 159.5(9) . . . . ?
S5 C37 C38 C39 -162.7(9) . . . . ?
S5 C37 C40 N5 161.3(9) . . . . ?
S6 C46 C47 C48 -162.9(11) . . . . ?
S6 C46 C49 N6 158.8(9) . . . . ?
N3 C21 C22 C19 33.0(15) . . . . ?
C1 C2 C3 N1 29(2) . . . . ?
C2 C1 C4 N1 31.7(15) . . . . ?
C3 N1 C4 C1 -14.4(19) . . . . ?
C3 N1 C5 O1 -174.3(17) . . . . ?
C3 N1 C5 O2 5(3) . . . . ?
C4 N1 C3 C2 -9(2) . . . . ?
C4 N1 C5 O1 2(2) . . . . ?
C4 N1 C5 O2 -178.7(19) . . . . ?
C4 C1 C2 C3 -38.1(17) . . . . ?
C5 O1 C6 C7 62(2) . . . . ?
C5 O1 C6 C8 -59(2) . . . . ?
C5 O1 C6 C9 -177(2) . . . . ?
C5 N1 C3 C2 167.5(17) . . . . ?
C5 N1 C4 C1 169.1(15) . . . . ?
C6 O1 C5 O2 -1(3) . . . . ?
C6 O1 C5 N1 178.7(14) . . . . ?
C10 C11 C12 N2 31.9(15) . . . . ?
C11 C10 C13 N2 31.6(13) . . . . ?
C12 N2 C13 C10 -11.7(15) . . . . ?
C12 N2 C14 O3 -173.3(12) . . . . ?
C12 N2 C14 O4 9(2) . . . . ?
C13 N2 C12 C11 -12.2(16) . . . . ?
C13 N2 C14 O3 -8.2(19) . . . . ?
C13 N2 C14 O4 173.7(15) . . . . ?
C13 C10 C11 C12 -39.7(14) . . . . ?
C14 O3 C15 C16 -177.3(15) . . . . ?
C14 O3 C15 C17 62.5(19) . . . . ?
C14 O3 C15 C18 -58(2) . . . . ?
C14 N2 C12 C11 154.6(13) . . . . ?
C14 N2 C13 C10 -177.7(13) . . . . ?
C15 O3 C14 O4 1(2) . . . . ?
C15 O3 C14 N2 -176.7(11) . . . . ?
C20 N3 C21 C22 -12.1(16) . . . . ?
C20 N3 C23 O5 3(2) . . . . ?
C20 N3 C23 O6 -176.3(17) . . . . ?
C20 C19 C22 C21 -42.6(13) . . . . ?
C21 N3 C20 C19 -14.0(15) . . . . ?
C21 N3 C23 O5 -171.5(13) . . . . ?
C21 N3 C23 O6 9(3) . . . . ?
C22 C19 C20 N3 34.8(13) . . . . ?
C23 O5 C24 C25 -178.5(17) . . . . ?
C23 O5 C24 C26 -61(2) . . . . ?
C23 O5 C24 C27 64(2) . . . . ?
C23 N3 C20 C19 171.2(15) . . . . ?
C23 N3 C21 C22 163.1(14) . . . . ?
C24 O5 C23 O6 1(3) . . . . ?
C24 O5 C23 N3 -178.1(13) . . . . ?
C28 C29 C30 N4 31.8(14) . . . . ?
C29 C28 C31 N4 32.6(13) . . . . ?
C30 N4 C31 C28 -13.2(15) . . . . ?
C30 N4 C32 O7 -173.0(12) . . . . ?
C30 N4 C32 O8 5(2) . . . . ?
C31 N4 C30 C29 -11.8(16) . . . . ?
C31 N4 C32 O7 2.5(19) . . . . ?
C31 N4 C32 O8 -179.2(14) . . . . ?
C31 C28 C29 C30 -40.0(14) . . . . ?
C32 O7 C33 C34 -176.5(14) . . . . ?
C32 O7 C33 C35 -57.1(18) . . . . ?
C32 O7 C33 C36 64.0(19) . . . . ?
C32 N4 C30 C29 164.2(13) . . . . ?
C32 N4 C31 C28 170.9(12) . . . . ?
C33 O7 C32 O8 1(2) . . . . ?
C33 O7 C32 N4 179.3(12) . . . . ?
C37 C38 C39 N5 30.0(13) . . . . ?
C38 C37 C40 N5 34.5(13) . . . . ?
C39 N5 C40 C37 -15.8(15) . . . . ?
C39 N5 C41 O9 -170.0(12) . . . . ?
C39 N5 C41 O10 7(2) . . . . ?
C40 N5 C39 C38 -8.5(15) . . . . ?
C40 N5 C41 O9 2(2) . . . . ?
C40 N5 C41 O10 179.0(16) . . . . ?
C40 C37 C38 C39 -40.4(13) . . . . ?
C41 O9 C42 C43 62(2) . . . . ?
C41 O9 C42 C44 -62(2) . . . . ?
C41 O9 C42 C45 179.6(17) . . . . ?
C41 N5 C39 C38 164.0(13) . . . . ?
C41 N5 C40 C37 172.1(14) . . . . ?
C42 O9 C41 O10 1(3) . . . . ?
C42 O9 C41 N5 178.3(14) . . . . ?
C46 C47 C48 N6 32.1(18) . . . . ?
C47 C46 C49 N6 30.9(14) . . . . ?
C48 N6 C49 C46 -11.6(16) . . . . ?
C48 N6 C50 O11 -171.6(15) . . . . ?
C48 N6 C50 O12 9(3) . . . . ?
C49 N6 C48 C47 -12.8(19) . . . . ?
C49 N6 C50 O11 -3(2) . . . . ?
C49 N6 C50 O12 177.3(15) . . . . ?
C49 C46 C47 C48 -38.9(16) . . . . ?
C50 O11 C51 C52 -63(2) . . . . ?
C50 O11 C51 C53 60.7(19) . . . . ?
C50 O11 C51 C54 178.9(17) . . . . ?
C50 N6 C48 C47 156.7(15) . . . . ?
C50 N6 C49 C46 179.1(13) . . . . ?
C51 O11 C50 O12 1(2) . . . . ?
C51 O11 C50 N6 -178.5(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.030
_oxdiff_exptl_absorpt_empirical_full_min 0.679
####################################################################### 
# 
# 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_s-ag5-gut-200k
_database_code_depnum_ccdc_archive 'CCDC 2192035'
loop_
_audit_author_name
_audit_author_address
'Xi-Ming Luo'
;ZhengZhou university
China
;
_audit_update_record             
;
2022-09-26 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
_audit_creation_date             2022-09-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
# start Validation Reply Form
_vrf_PLAT342_s-ag5-gut-200k      
;
PROBLEM:Low Bond Precision on  C-C Bonds ...............       0.032 Ang 
RESPONSE: This is attributed to the disordered group. No split was
applied to this molecule/group for clarity.
;
_vrf_PLAT601_s-ag5-gut-200k      
;
PROBLEM:Unit Cell Contains Solvent Accessible VOIDS of .        145 Ang**3
RESPONSE: This is attributed to the some water molecules.
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H96 Ag5 N6 O12 S6'
_chemical_formula_sum            'C54 H96 Ag5 N6 O12 S6'
_chemical_formula_weight         1753.09
_chemical_absolute_configuration syn
_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      trigonal
_space_group_IT_number           143
_space_group_name_H-M_alt        'P 3'
_space_group_name_Hall           'P 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'

_cell_length_a                   15.5807(8)
_cell_length_b                   15.5807(8)
_cell_length_c                   9.2970(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     1954.6(2)
_cell_formula_units_Z            0.99999
_cell_measurement_reflns_used    9854
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.25
_cell_measurement_theta_min      2.62
_shelx_estimated_absorpt_T_max   0.931
_shelx_estimated_absorpt_T_min   0.906
_exptl_absorpt_coefficient_mu    1.442
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6595
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1129 before and 0.0644 after correction. The Ratio of minimum to maximum transmission is 0.8845. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             889
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0607
_diffrn_reflns_av_unetI/netI     0.0232
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            77333
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.437
_diffrn_reflns_theta_min         2.661
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_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         0.999
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.992
_reflns_number_gt                5131
_reflns_number_total             5923
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.192
_refine_diff_density_min         -0.699
_refine_diff_density_rms         0.104
_refine_ls_abs_structure_details 
;
 Flack x determined using 2294 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.004(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         5923
_refine_ls_number_restraints     191
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0512
_refine_ls_restrained_S_all      1.077
_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)+(0.0912P)²+2.4465P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1415
_refine_ls_wR_factor_ref         0.1515
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.797(5)
 0.203(5)
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. Restrained distances
 C18-C15
 1.53 with sigma of 0.01
 O3-C19 = O3-C15
 1.45 with sigma of 0.01
 N1-C2 = N1-C3 = N2-C13 = N2-C12
 1.45 with sigma of 0.01
 C2-C1 = C4-C1 = C4-C3 = C13-C10 = C11-C10 = C12-C11
 1.5 with sigma of 0.01
 C15-C17
 1.53 with sigma of 0.01
 C22-C19 = C20-C19 = C21-C19 = C16-C15
 1.53 with sigma of 0.01
 C8-C6 = C6-C9 = C6-C7
 1.53 with sigma of 0.01
 C17-C18
 2.55 with sigma of 0.04
 H7B-H8A
 2.2 with sigma of 0.04
 C20-C21 \\sim C20-C22 \\sim C21-C22
 with sigma of 0.02
4. Rigid bond restraints
 C19, C15, C16, C20, C17, C21, C18, C22, O3
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 N1, C5, O1, O2
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
Uanis(C11) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C3)
\\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms
of 0.02
Uanis(O3) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(C14) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(O2) \\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C19) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C22)
\\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C16) \\sim Ueq,
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C9) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C8) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N1) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O1) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
6. Others
 Sof(C19)=Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(H22C)=Sof(C20)=Sof(H20A)=Sof(H20B)=
 Sof(H20C)=Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=1-FVAR(1)
 Sof(C18)=Sof(H18A)=Sof(H18B)=Sof(H18C)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=
 Sof(C16)=Sof(H16A)=Sof(H16B)=Sof(H16C)=Sof(C15)=FVAR(1)
7.a Riding coordinates:
 C7(H7A,H7B,H7C), C17(H17A,H17B,H17C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C)
7.b Ternary CH refined with riding coordinates:
 C1(H1), C10(H10)
7.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B)
7.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C18(H18A,H18B,H18C), C22(H22A,H22B,H22C),
 C16(H16A,H16B,H16C)
;
_atom_sites_solution_hydrogens   mixed
_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
Ag1 Ag 0.000000 0.000000 0.8461(2) 0.0549(4) Uani 1 3 d S T P . .
Ag2 Ag 0.08631(7) 0.17282(6) 0.5941(3) 0.0667(3) Uani 1 1 d . . . . .
Ag3 Ag 0.000000 0.000000 0.3420(2) 0.0549(4) Uani 1 3 d S T P . .
S1 S 0.0894(3) 0.1828(3) 0.8505(5) 0.0630(15) Uani 1 1 d . . . . .
S2 S 0.0932(3) 0.1830(3) 0.3362(5) 0.0628(15) Uani 1 1 d . . . . .
O1 O 0.4631(10) 0.5002(12) 0.8449(18) 0.099(4) Uani 1 1 d . U . . .
O2 O 0.5556(11) 0.4227(18) 0.868(3) 0.140(7) Uani 1 1 d . U . . .
O3 O 0.0377(12) 0.5020(10) 0.3460(17) 0.093(4) Uani 1 1 d D U . . .
O4 O -0.1281(15) 0.4282(17) 0.318(2) 0.133(7) Uani 1 1 d . U . . .
N1 N 0.3854(11) 0.3382(13) 0.8545(19) 0.094(4) Uani 1 1 d D U . . .
N2 N -0.0472(13) 0.3394(13) 0.332(2) 0.104(6) Uani 1 1 d D . . . .
C1 C 0.2197(11) 0.2258(9) 0.901(2) 0.075(4) Uani 1 1 d D . . . .
H1 H 0.222762 0.222320 1.008058 0.090 Uiso 1 1 calc R U . . .
C2 C 0.2896(10) 0.3329(11) 0.856(2) 0.089(6) Uani 1 1 d D . . . .
H2A H 0.272333 0.346551 0.759089 0.107 Uiso 1 1 calc R U . . .
H2B H 0.288387 0.380151 0.925671 0.107 Uiso 1 1 calc R U . . .
C3 C 0.3774(14) 0.2409(14) 0.868(3) 0.110(7) Uani 1 1 d D U . . .
H3A H 0.395595 0.230293 0.965441 0.132 Uiso 1 1 calc R U . . .
H3B H 0.419699 0.232352 0.796138 0.132 Uiso 1 1 calc R U . . .
C4 C 0.2695(12) 0.1726(14) 0.838(3) 0.095(6) Uani 1 1 d D U . . .
H4A H 0.245584 0.107517 0.884513 0.115 Uiso 1 1 calc R U . . .
H4B H 0.256949 0.162397 0.732912 0.115 Uiso 1 1 calc R U . . .
C5 C 0.4827(18) 0.428(2) 0.863(3) 0.111(6) Uani 1 1 d . U . . .
C6 C 0.5521(18) 0.5943(18) 0.837(2) 0.114(7) Uani 1 1 d D U . . .
C7 C 0.498(3) 0.652(3) 0.823(5) 0.161(13) Uani 1 1 d D U . . .
H7A H 0.510060 0.681177 0.728845 0.242 Uiso 1 1 d R U . . .
H7B H 0.522140 0.704137 0.894135 0.242 Uiso 1 1 d DR U . . .
H7C H 0.427939 0.609307 0.836355 0.242 Uiso 1 1 d R U . . .
C8 C 0.598(2) 0.628(2) 0.985(2) 0.144(11) Uani 1 1 d D U . . .
H8A H 0.650158 0.698280 0.980806 0.216 Uiso 1 1 calc DR U . . .
H8B H 0.627343 0.588346 1.016438 0.216 Uiso 1 1 calc R U . . .
H8C H 0.547188 0.620571 1.054051 0.216 Uiso 1 1 calc R U . . .
C9 C 0.622(2) 0.622(3) 0.712(3) 0.159(13) Uani 1 1 d D U . . .
H9A H 0.685671 0.630540 0.745090 0.238 Uiso 1 1 calc R U . . .
H9B H 0.633156 0.684967 0.670675 0.238 Uiso 1 1 calc R U . . .
H9C H 0.593776 0.570258 0.638954 0.238 Uiso 1 1 calc R U . . .
C10 C 0.0053(10) 0.2259(8) 0.284(2) 0.072(4) Uani 1 1 d D . . . .
H10 H -0.000682 0.222685 0.177275 0.086 Uiso 1 1 calc R U . . .
C11 C -0.0981(12) 0.1708(14) 0.346(3) 0.092(5) Uani 1 1 d D U . . .
H11A H -0.139207 0.106874 0.296334 0.110 Uiso 1 1 calc R U . . .
H11B H -0.096720 0.158258 0.450528 0.110 Uiso 1 1 calc R U . . .
C12 C -0.1357(15) 0.2411(13) 0.319(3) 0.110(7) Uani 1 1 d D U . . .
H12A H -0.165143 0.231057 0.222046 0.132 Uiso 1 1 calc R U . . .
H12B H -0.186099 0.232318 0.391551 0.132 Uiso 1 1 calc R U . . .
C13 C 0.0417(12) 0.3320(10) 0.330(2) 0.084(5) Uani 1 1 d D . . . .
H13A H 0.072846 0.345429 0.425940 0.101 Uiso 1 1 calc R U . . .
H13B H 0.090330 0.379129 0.259620 0.101 Uiso 1 1 calc R U . . .
C14 C -0.0466(19) 0.430(2) 0.321(3) 0.104(6) Uani 1 1 d . U . . .
C19 C 0.084(3) 0.6079(14) 0.321(4) 0.100(11) Uani 0.37(3) 1 d D U P A 2
C18 C 0.039(4) 0.633(3) 0.192(3) 0.108(10) Uani 0.63(3) 1 d D U P A 1
H18A H 0.057721 0.598625 0.120705 0.162 Uiso 0.63(3) 1 calc R U P A 1
H18B H 0.082140 0.704472 0.181935 0.162 Uiso 0.63(3) 1 calc R U P A 1
H18C H -0.029943 0.614927 0.178034 0.162 Uiso 0.63(3) 1 calc R U P A 1
C17 C 0.163(2) 0.657(3) 0.372(5) 0.117(11) Uani 0.63(3) 1 d D U P A 1
H17A H 0.177856 0.687708 0.465211 0.175 Uiso 0.63(3) 1 d R U P A 1
H17B H 0.195846 0.706768 0.299471 0.175 Uiso 0.63(3) 1 d R U P A 1
H17C H 0.186126 0.610188 0.367401 0.175 Uiso 0.63(3) 1 d R U P A 1
C22 C -0.006(4) 0.602(4) 0.247(5) 0.081(11) Uani 0.37(3) 1 d D U P A 2
H22A H -0.015854 0.569520 0.152835 0.122 Uiso 0.37(3) 1 calc R U P A 2
H22B H 0.004430 0.668887 0.232863 0.122 Uiso 0.37(3) 1 calc R U P A 2
H22C H -0.065149 0.563391 0.306290 0.122 Uiso 0.37(3) 1 calc R U P A 2
C20 C 0.098(4) 0.644(4) 0.477(4) 0.094(12) Uani 0.37(3) 1 d D U P A 2
H20A H 0.164000 0.661320 0.507139 0.141 Uiso 0.37(3) 1 d R U P A 2
H20B H 0.050820 0.594100 0.540769 0.141 Uiso 0.37(3) 1 d R U P A 2
H20C H 0.091000 0.701450 0.480399 0.141 Uiso 0.37(3) 1 d R U P A 2
C21 C 0.179(4) 0.659(8) 0.231(7) 0.149(19) Uani 0.37(3) 1 d D U P A 2
H21A H 0.164285 0.644978 0.130342 0.223 Uiso 0.37(3) 1 d R U P A 2
H21B H 0.222875 0.636268 0.261322 0.223 Uiso 0.37(3) 1 d R U P A 2
H21C H 0.209435 0.729118 0.246542 0.223 Uiso 0.37(3) 1 d R U P A 2
C16 C -0.004(3) 0.615(2) 0.467(3) 0.094(8) Uani 0.63(3) 1 d D U P A 1
H16A H -0.068782 0.601749 0.433571 0.141 Uiso 0.63(3) 1 calc R U P A 1
H16B H 0.034256 0.683449 0.502188 0.141 Uiso 0.63(3) 1 calc R U P A 1
H16C H -0.011805 0.569220 0.544636 0.141 Uiso 0.63(3) 1 calc R U P A 1
C15 C 0.052(2) 0.6014(13) 0.343(2) 0.082(7) Uani 0.63(3) 1 d D U P A 1


_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 Ag2 3.306(2) . ?
Ag1 Ag2 3.306(2) 2 ?
Ag1 Ag2 3.306(2) 3 ?
Ag1 S1 2.468(4) 2 ?
Ag1 S1 2.468(4) . ?
Ag1 S1 2.468(4) 3 ?
Ag2 Ag3 3.306(2) . ?
Ag2 S1 2.388(5) . ?
Ag2 S2 2.402(6) . ?
Ag3 S2 2.470(4) . ?
Ag3 S2 2.470(4) 3 ?
Ag3 S2 2.470(4) 2 ?
S1 C1 1.851(18) . ?
S2 C10 1.862(16) . ?
O1 C5 1.32(3) . ?
O1 C6 1.43(3) . ?
O2 C5 1.18(3) . ?
O3 C14 1.25(3) . ?
O3 C19 1.451(15) . ?
O3 C15 1.452(13) . ?
O4 C14 1.26(3) . ?
N1 C2 1.453(13) . ?
N1 C3 1.464(14) . ?
N1 C5 1.46(3) . ?
N2 C12 1.465(14) . ?
N2 C13 1.447(13) . ?
N2 C14 1.41(3) . ?
C1 H1 1.0000 . ?
C1 C2 1.527(12) . ?
C1 C4 1.509(13) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.500(14) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C6 C7 1.523(14) . ?
C6 C8 1.519(14) . ?
C6 C9 1.506(14) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9601 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C11 1.510(13) . ?
C10 C13 1.514(12) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.500(13) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C19 C22 1.531(15) . ?
C19 C20 1.532(15) . ?
C19 C21 1.527(15) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C18 C15 1.527(14) . ?
C17 H17A 0.9601 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9602 . ?
C17 C15 1.527(14) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9599 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9601 . ?
C21 H21C 0.9601 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16 C15 1.515(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
Ag2 Ag1 Ag2 75.31(6) . 3 ?
Ag2 Ag1 Ag2 75.32(6) 2 3 ?
Ag2 Ag1 Ag2 75.32(6) . 2 ?
S1 Ag1 Ag2 111.83(10) 2 . ?
S1 Ag1 Ag2 111.83(10) 3 2 ?
S1 Ag1 Ag2 46.09(12) 3 3 ?
S1 Ag1 Ag2 110.92(13) 3 . ?
S1 Ag1 Ag2 110.92(13) . 2 ?
S1 Ag1 Ag2 46.09(12) . . ?
S1 Ag1 Ag2 111.83(10) . 3 ?
S1 Ag1 Ag2 46.09(12) 2 2 ?
S1 Ag1 Ag2 110.92(13) 2 3 ?
S1 Ag1 S1 119.973(9) 3 . ?
S1 Ag1 S1 119.973(9) 2 3 ?
S1 Ag1 S1 119.972(8) 2 . ?
Ag1 Ag2 Ag3 90.28(3) . . ?
S1 Ag2 Ag1 48.12(11) . . ?
S1 Ag2 Ag3 138.39(11) . . ?
S1 Ag2 S2 173.46(9) . . ?
S2 Ag2 Ag1 138.42(11) . . ?
S2 Ag2 Ag3 48.15(11) . . ?
Ag2 Ag3 Ag2 75.30(6) 3 2 ?
Ag2 Ag3 Ag2 75.30(6) . 3 ?
Ag2 Ag3 Ag2 75.30(6) . 2 ?
S2 Ag3 Ag2 112.01(11) 2 3 ?
S2 Ag3 Ag2 46.40(13) 2 2 ?
S2 Ag3 Ag2 46.40(13) . . ?
S2 Ag3 Ag2 112.01(11) . 2 ?
S2 Ag3 Ag2 111.18(13) 3 2 ?
S2 Ag3 Ag2 111.18(13) 2 . ?
S2 Ag3 Ag2 112.01(11) 3 . ?
S2 Ag3 Ag2 111.18(13) . 3 ?
S2 Ag3 Ag2 46.40(13) 3 3 ?
S2 Ag3 S2 119.953(10) 2 . ?
S2 Ag3 S2 119.953(11) 3 . ?
S2 Ag3 S2 119.953(10) 2 3 ?
Ag2 S1 Ag1 85.79(16) . . ?
C1 S1 Ag1 107.8(4) . . ?
C1 S1 Ag2 105.0(6) . . ?
Ag2 S2 Ag3 85.45(16) . . ?
C10 S2 Ag2 105.4(6) . . ?
C10 S2 Ag3 107.9(4) . . ?
C5 O1 C6 111.2(19) . . ?
C14 O3 C19 134(2) . . ?
C14 O3 C15 119.1(19) . . ?
C2 N1 C3 112.9(15) . . ?
C2 N1 C5 126.7(17) . . ?
C5 N1 C3 119.7(16) . . ?
C13 N2 C12 110.7(13) . . ?
C14 N2 C12 124.9(16) . . ?
C14 N2 C13 123.5(17) . . ?
S1 C1 H1 107.9 . . ?
C2 C1 S1 112.3(12) . . ?
C2 C1 H1 107.9 . . ?
C4 C1 S1 118.3(12) . . ?
C4 C1 H1 107.9 . . ?
C4 C1 C2 102.2(14) . . ?
N1 C2 C1 102.4(14) . . ?
N1 C2 H2A 111.3 . . ?
N1 C2 H2B 111.3 . . ?
C1 C2 H2A 111.3 . . ?
C1 C2 H2B 111.3 . . ?
H2A C2 H2B 109.2 . . ?
N1 C3 H3A 111.4 . . ?
N1 C3 H3B 111.4 . . ?
N1 C3 C4 101.7(16) . . ?
H3A C3 H3B 109.3 . . ?
C4 C3 H3A 111.4 . . ?
C4 C3 H3B 111.4 . . ?
C1 C4 H4A 111.0 . . ?
C1 C4 H4B 111.0 . . ?
C3 C4 C1 103.9(15) . . ?
C3 C4 H4A 111.0 . . ?
C3 C4 H4B 111.0 . . ?
H4A C4 H4B 109.0 . . ?
O1 C5 N1 103.8(17) . . ?
O2 C5 O1 135(3) . . ?
O2 C5 N1 121(3) . . ?
O1 C6 C7 94(2) . . ?
O1 C6 C8 111.3(17) . . ?
O1 C6 C9 122(2) . . ?
C8 C6 C7 100(3) . . ?
C9 C6 C7 107(3) . . ?
C9 C6 C8 117(2) . . ?
C6 C7 H7A 108.5 . . ?
C6 C7 H7B 109.7 . . ?
C6 C7 H7C 110.2 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.4 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
S2 C10 H10 107.8 . . ?
C11 C10 S2 117.7(11) . . ?
C11 C10 H10 107.8 . . ?
C11 C10 C13 103.1(13) . . ?
C13 C10 S2 112.3(11) . . ?
C13 C10 H10 107.8 . . ?
C10 C11 H11A 111.3 . . ?
C10 C11 H11B 111.3 . . ?
H11A C11 H11B 109.2 . . ?
C12 C11 C10 102.4(14) . . ?
C12 C11 H11A 111.3 . . ?
C12 C11 H11B 111.3 . . ?
N2 C12 C11 104.1(15) . . ?
N2 C12 H12A 110.9 . . ?
N2 C12 H12B 110.9 . . ?
C11 C12 H12A 110.9 . . ?
C11 C12 H12B 110.9 . . ?
H12A C12 H12B 109.0 . . ?
N2 C13 C10 103.9(12) . . ?
N2 C13 H13A 111.0 . . ?
N2 C13 H13B 111.0 . . ?
C10 C13 H13A 111.0 . . ?
C10 C13 H13B 111.0 . . ?
H13A C13 H13B 109.0 . . ?
O3 C14 O4 128(2) . . ?
O3 C14 N2 111.4(19) . . ?
O4 C14 N2 119(2) . . ?
O3 C19 C22 95(3) . . ?
O3 C19 C20 99(3) . . ?
O3 C19 C21 119(5) . . ?
C22 C19 C20 114(2) . . ?
C21 C19 C22 114(2) . . ?
C21 C19 C20 114(2) . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C17 H17A 111.2 . . ?
C15 C17 H17B 109.1 . . ?
C15 C17 H17C 108.1 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C20 H20A 108.3 . . ?
C19 C20 H20B 112.1 . . ?
C19 C20 H20C 108.0 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 111.2 . . ?
C19 C21 H21B 109.1 . . ?
C19 C21 H21C 108.1 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
O3 C15 C18 112(2) . . ?
O3 C15 C17 97(2) . . ?
O3 C15 C16 110.1(18) . . ?
C18 C15 C17 106(3) . . ?
C16 C15 C18 119(3) . . ?
C16 C15 C17 111(3) . . ?

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 S1 C1 C2 159.2(11) . . . . ?
Ag1 S1 C1 C4 40.6(16) . . . . ?
Ag2 S1 C1 C2 68.9(13) . . . . ?
Ag2 S1 C1 C4 -49.8(16) . . . . ?
Ag2 S2 C10 C11 -50.7(15) . . . . ?
Ag2 S2 C10 C13 68.7(13) . . . . ?
Ag3 S2 C10 C11 39.4(16) . . . . ?
Ag3 S2 C10 C13 158.8(12) . . . . ?
S1 C1 C2 N1 -159.5(12) . . . . ?
S1 C1 C4 C3 165.5(15) . . . . ?
S2 C10 C11 C12 164.0(15) . . . . ?
S2 C10 C13 N2 -159.1(13) . . . . ?
N1 C3 C4 C1 -34(2) . . . . ?
C2 N1 C3 C4 14(3) . . . . ?
C2 N1 C5 O1 -11(3) . . . . ?
C2 N1 C5 O2 177(2) . . . . ?
C2 C1 C4 C3 42(2) . . . . ?
C3 N1 C2 C1 11(2) . . . . ?
C3 N1 C5 O1 179(2) . . . . ?
C3 N1 C5 O2 7(4) . . . . ?
C4 C1 C2 N1 -32(2) . . . . ?
C5 O1 C6 C7 -178(2) . . . . ?
C5 O1 C6 C8 -75(3) . . . . ?
C5 O1 C6 C9 69(3) . . . . ?
C5 N1 C2 C1 -160(2) . . . . ?
C5 N1 C3 C4 -174(2) . . . . ?
C6 O1 C5 O2 -4(5) . . . . ?
C6 O1 C5 N1 -174.9(17) . . . . ?
C10 C11 C12 N2 -33(3) . . . . ?
C11 C10 C13 N2 -32(2) . . . . ?
C12 N2 C13 C10 11(3) . . . . ?
C12 N2 C14 O3 175(2) . . . . ?
C12 N2 C14 O4 9(4) . . . . ?
C13 N2 C12 C11 14(3) . . . . ?
C13 N2 C14 O3 -17(3) . . . . ?
C13 N2 C14 O4 177(2) . . . . ?
C13 C10 C11 C12 40(2) . . . . ?
C14 O3 C19 C22 -2(4) . . . . ?
C14 O3 C19 C20 113(4) . . . . ?
C14 O3 C19 C21 -122(4) . . . . ?
C14 O3 C15 C18 -67(3) . . . . ?
C14 O3 C15 C17 -178(3) . . . . ?
C14 O3 C15 C16 67(3) . . . . ?
C14 N2 C12 C11 -177(2) . . . . ?
C14 N2 C13 C10 -158(2) . . . . ?
C19 O3 C14 O4 -31(5) . . . . ?
C19 O3 C14 N2 165(3) . . . . ?
C15 O3 C14 O4 -14(4) . . . . ?
C15 O3 C14 N2 -178.6(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.797(5)
2 0.203(5)

####################################################################### 
# 
# 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_r-ag5-gut-rt
_database_code_depnum_ccdc_archive 'CCDC 2192033'
loop_
_audit_author_name
_audit_author_address
'Xi-Ming Luo'
;ZhengZhou university
China
;
_audit_update_record             
;
2022-09-26 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
_audit_creation_date             2022-09-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
# start Validation Reply Form
_vrf_PLAT342_r-ag5-gut-rt        
;
PROBLEM:Low Bond Precision on  C-C Bonds ...............       0.02667 Ang 
RESPONSE: This is attributed to the disordered group. No split was
applied to this molecule/group for clarity.
;
_vrf_PLAT601_r-ag5-gut-rt        
;
PROBLEM:Unit Cell Contains Solvent Accessible VOIDS of .        151 Ang**3
RESPONSE: This is attributed to the disordered group of organic ligands. 
No split was applied to this molecule/group for clarity.
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H96 Ag5 N6 O12 S6'
_chemical_formula_sum            'C54 H96 Ag5 N6 O12 S6'
_chemical_formula_weight         1753.07
_chemical_absolute_configuration syn
_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      trigonal
_space_group_IT_number           143
_space_group_name_H-M_alt        'P 3'
_space_group_name_Hall           'P 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'

_cell_length_a                   15.5680(10)
_cell_length_b                   15.5680(10)
_cell_length_c                   9.2630(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     1944.2(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9972
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.62
_shelx_estimated_absorpt_T_max   0.918
_shelx_estimated_absorpt_T_min   0.857
_exptl_absorpt_coefficient_mu    1.449
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6084
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1539 before and 0.0585 after correction.
The Ratio of minimum to maximum transmission is 0.8160.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             889
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            50366
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.605
_diffrn_reflns_theta_min         2.668
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_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                   ?
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.992
_reflns_number_gt                5255
_reflns_number_total             5991
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.790
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.129
_refine_ls_abs_structure_details 
;
 Flack x determined using 2234 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.010(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         5991
_refine_ls_number_restraints     497
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0532
_refine_ls_restrained_S_all      1.102
_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)+(0.0888P)²+1.0300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1415
_refine_ls_wR_factor_ref         0.1468
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.701(5)
 0.299(5)
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. Restrained distances
 C12-N2 = C13-N2 = C13-C10 = C12-C11 = C10-C11
 1.51 with sigma of 0.01
 C2-C1 = C1-C4 = N1-C4 = C3-N1 = C3-C2
 1.51 with sigma of 0.01
 O1-C5
 1.2 with sigma of 0.02
 N2-C14
 1.4 with sigma of 0.02
 O3-C14
 1.2 with sigma of 0.02
 O2-C5
 1.35 with sigma of 0.02
 C8-C6 = C6-C9 = C7-C6
 1.45 with sigma of 0.01
 C14-O4
 1.45 with sigma of 0.01
 C15-O4
 1.45 with sigma of 0.01
 C16-C15 = C17-C15 = C18-C15
 1.53 with sigma of 0.01
 O2-C7 \\sim O2-C8 \\sim O2-C9
 with sigma of 0.02
 C7-C8 \\sim C7-C9 \\sim C8-C9
 with sigma of 0.02
 O4-C16 \\sim O4-C17 \\sim O4-C18
 with sigma of 0.02
 C16-C17 \\sim C16-C18 \\sim C17-C18
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
S2 \\sim N2 \\sim C10 \\sim C11 \\sim C12 \\sim C13: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.01
S1 \\sim O1 \\sim O2 \\sim N1 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5
\\sim C6 \\sim C7 \\sim C8 \\sim C9: within 3A with sigma of 0.01 and sigma for
terminal atoms of 0.01
S2 \\sim O3 \\sim O4 \\sim N2 \\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14
\\sim C15 \\sim C16 \\sim C17 \\sim C18: within 3A with sigma of 0.01 and sigma
for terminal atoms of 0.01
5.a Ternary CH refined with riding coordinates:
 C1(H1), C10(H10)
5.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B)
5.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.000000 0.000000 0.8273(2) 0.0632(4) Uani 1 3 d S T P . .
Ag2 Ag 0.17292(5) 0.08654(6) 0.5770(4) 0.0746(2) Uani 1 1 d . . . . .
Ag3 Ag 0.000000 0.000000 0.3266(2) 0.0633(4) Uani 1 3 d S T P . .
S1 S 0.1833(3) 0.0933(3) 0.3219(6) 0.0705(14) Uani 1 1 d . U . . .
S2 S 0.1822(3) 0.0899(3) 0.8329(6) 0.0687(14) Uani 1 1 d . U . . .
O1 O 0.4236(13) -0.1296(14) 0.308(2) 0.119(3) Uani 1 1 d D U . . .
O2 O 0.4984(11) 0.0346(12) 0.3293(16) 0.107(3) Uani 1 1 d D U . . .
O3 O 0.4268(14) 0.5542(11) 0.852(2) 0.125(4) Uani 1 1 d D U . . .
O4 O 0.5002(10) 0.4635(9) 0.8262(16) 0.114(3) Uani 1 1 d D U . . .
N1 N 0.3393(10) -0.0471(11) 0.3165(18) 0.095(3) Uani 1 1 d D U . . .
N2 N 0.3394(11) 0.3860(9) 0.8367(19) 0.102(3) Uani 1 1 d D U . . .
C1 C 0.2257(9) 0.0069(11) 0.274(2) 0.085(3) Uani 1 1 d D U . . .
H1 H 0.221752 0.000193 0.168295 0.101 Uiso 1 1 calc R . . . .
C2 C 0.1717(12) -0.0962(12) 0.336(2) 0.094(3) Uani 1 1 d D U . . .
H2A H 0.107502 -0.135634 0.290409 0.112 Uiso 1 1 calc R . . . .
H2B H 0.162038 -0.094122 0.439278 0.112 Uiso 1 1 calc R . . . .
C3 C 0.2388(11) -0.1386(13) 0.305(3) 0.102(3) Uani 1 1 d D U . . .
H3A H 0.230340 -0.188252 0.375162 0.122 Uiso 1 1 calc R . . . .
H3B H 0.227372 -0.167172 0.208580 0.122 Uiso 1 1 calc R . . . .
C4 C 0.3327(11) 0.0450(12) 0.316(2) 0.095(3) Uani 1 1 d D U . . .
H4A H 0.377861 0.092398 0.245691 0.114 Uiso 1 1 calc R . . . .
H4B H 0.347037 0.075847 0.410359 0.114 Uiso 1 1 calc R . . . .
C5 C 0.4215(16) -0.0558(15) 0.315(3) 0.109(3) Uani 1 1 d D U . . .
C6 C 0.6021(17) 0.0524(14) 0.3289(19) 0.119(4) Uani 1 1 d D U . . .
C7 C 0.6661(17) 0.1588(14) 0.342(3) 0.135(5) Uani 1 1 d D U . . .
H7A H 0.707957 0.183437 0.257955 0.203 Uiso 1 1 calc GR . . . .
H7B H 0.706393 0.173514 0.426482 0.203 Uiso 1 1 calc GR . . . .
H7C H 0.626288 0.189837 0.348566 0.203 Uiso 1 1 calc GR . . . .
C8 C 0.6136(19) 0.0012(19) 0.451(2) 0.125(4) Uani 1 1 d D U . . .
H8A H 0.675928 0.043574 0.497736 0.187 Uiso 1 1 calc GR . . . .
H8B H 0.611963 -0.058168 0.418812 0.187 Uiso 1 1 calc GR . . . .
H8C H 0.560549 -0.015780 0.518536 0.187 Uiso 1 1 calc GR . . . .
C9 C 0.6204(18) 0.0161(19) 0.196(2) 0.125(4) Uani 1 1 d D U . . .
H9A H 0.672027 0.000353 0.211298 0.188 Uiso 1 1 calc GR . . . .
H9B H 0.640509 0.066078 0.123077 0.188 Uiso 1 1 calc GR . . . .
H9C H 0.560894 -0.042449 0.166380 0.188 Uiso 1 1 calc GR . . . .
C10 C 0.2251(9) 0.2186(10) 0.881(2) 0.083(3) Uani 1 1 d D U . . .
H10 H 0.221658 0.221566 0.986373 0.099 Uiso 1 1 calc R . . . .
C11 C 0.1721(11) 0.2691(10) 0.819(2) 0.089(3) Uani 1 1 d D U . . .
H11A H 0.107787 0.244486 0.864283 0.107 Uiso 1 1 calc R . . . .
H11B H 0.162807 0.258093 0.715728 0.107 Uiso 1 1 calc R . . . .
C12 C 0.2398(11) 0.3785(11) 0.852(3) 0.100(4) Uani 1 1 d D U . . .
H12A H 0.231213 0.420517 0.783312 0.120 Uiso 1 1 calc R . . . .
H12B H 0.229472 0.395020 0.949216 0.120 Uiso 1 1 calc R . . . .
C13 C 0.3321(11) 0.2870(9) 0.838(2) 0.092(3) Uani 1 1 d D U . . .
H13A H 0.377404 0.284699 0.907493 0.111 Uiso 1 1 calc R . . . .
H13B H 0.345862 0.270066 0.743121 0.111 Uiso 1 1 calc R . . . .
C14 C 0.4169(13) 0.4777(12) 0.836(3) 0.111(4) Uani 1 1 d D U . . .
C15 C 0.6007(12) 0.5467(12) 0.8240(18) 0.128(5) Uani 1 1 d D U . . .
C16 C 0.6661(15) 0.5001(17) 0.804(3) 0.138(6) Uani 1 1 d D U . . .
H16A H 0.703810 0.509187 0.890514 0.208 Uiso 1 1 calc GR . . . .
H16B H 0.710468 0.531318 0.724532 0.208 Uiso 1 1 calc GR . . . .
H16C H 0.625115 0.430469 0.784947 0.208 Uiso 1 1 calc GR . . . .
C17 C 0.6116(19) 0.6137(14) 0.698(2) 0.138(5) Uani 1 1 d D U . . .
H17A H 0.562877 0.576083 0.625750 0.208 Uiso 1 1 calc GR . . . .
H17B H 0.676780 0.640665 0.657264 0.208 Uiso 1 1 calc GR . . . .
H17C H 0.602116 0.666801 0.731118 0.208 Uiso 1 1 calc GR . . . .
C18 C 0.6234(18) 0.6023(15) 0.965(2) 0.139(5) Uani 1 1 d D U . . .
H18A H 0.636340 0.566472 1.037794 0.209 Uiso 1 1 calc GR . . . .
H18B H 0.567740 0.608999 0.993065 0.209 Uiso 1 1 calc GR . . . .
H18C H 0.680715 0.666911 0.953091 0.209 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 Ag2 3.288(3) 3 ?
Ag1 Ag2 3.288(3) 2 ?
Ag1 Ag2 3.288(3) . ?
Ag1 S2 2.457(4) . ?
Ag1 S2 2.457(4) 2 ?
Ag1 S2 2.457(4) 3 ?
Ag2 Ag3 3.289(3) . ?
Ag2 S1 2.367(7) . ?
Ag2 S2 2.374(7) . ?
Ag3 S1 2.472(4) . ?
Ag3 S1 2.472(4) 3 ?
Ag3 S1 2.472(4) 2 ?
S1 C1 1.825(15) . ?
S2 C10 1.822(16) . ?
O1 C5 1.17(2) . ?
O2 C5 1.32(2) . ?
O2 C6 1.49(3) . ?
O3 C14 1.133(19) . ?
O4 C14 1.422(13) . ?
O4 C15 1.448(13) . ?
N1 C3 1.503(13) . ?
N1 C4 1.489(13) . ?
N1 C5 1.35(2) . ?
N2 C12 1.502(13) . ?
N2 C13 1.488(13) . ?
N2 C14 1.331(18) . ?
C1 H1 0.9800 . ?
C1 C2 1.507(13) . ?
C1 C4 1.513(12) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.518(13) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C6 C7 1.449(14) . ?
C6 C8 1.448(14) . ?
C6 C9 1.438(14) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10 0.9800 . ?
C10 C11 1.509(13) . ?
C10 C13 1.515(12) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.521(13) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C15 C16 1.528(14) . ?
C15 C17 1.518(14) . ?
C15 C18 1.507(14) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?

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
Ag2 Ag1 Ag2 75.77(8) 3 2 ?
Ag2 Ag1 Ag2 75.77(8) . 2 ?
Ag2 Ag1 Ag2 75.77(8) . 3 ?
S2 Ag1 Ag2 111.99(13) 2 3 ?
S2 Ag1 Ag2 111.37(15) . 3 ?
S2 Ag1 Ag2 46.06(15) . . ?
S2 Ag1 Ag2 111.99(13) . 2 ?
S2 Ag1 Ag2 46.06(15) 3 3 ?
S2 Ag1 Ag2 111.37(15) 3 2 ?
S2 Ag1 Ag2 46.06(15) 2 2 ?
S2 Ag1 Ag2 111.37(15) 2 . ?
S2 Ag1 Ag2 111.99(13) 3 . ?
S2 Ag1 S2 119.954(13) 2 . ?
S2 Ag1 S2 119.956(12) 3 . ?
S2 Ag1 S2 119.955(13) 3 2 ?
Ag1 Ag2 Ag3 89.69(3) . . ?
S1 Ag2 Ag1 138.24(12) . . ?
S1 Ag2 Ag3 48.56(12) . . ?
S1 Ag2 S2 173.58(9) . . ?
S2 Ag2 Ag1 48.17(11) . . ?
S2 Ag2 Ag3 137.86(11) . . ?
Ag2 Ag3 Ag2 75.75(8) 3 . ?
Ag2 Ag3 Ag2 75.75(8) 2 3 ?
Ag2 Ag3 Ag2 75.75(8) 2 . ?
S1 Ag3 Ag2 45.87(15) 2 2 ?
S1 Ag3 Ag2 111.90(13) . 3 ?
S1 Ag3 Ag2 45.87(15) . . ?
S1 Ag3 Ag2 45.87(15) 3 3 ?
S1 Ag3 Ag2 111.14(15) 3 . ?
S1 Ag3 Ag2 111.14(15) 2 3 ?
S1 Ag3 Ag2 111.90(13) 3 2 ?
S1 Ag3 Ag2 111.90(13) 2 . ?
S1 Ag3 Ag2 111.14(15) . 2 ?
S1 Ag3 S1 119.969(10) 3 2 ?
S1 Ag3 S1 119.970(10) 2 . ?
S1 Ag3 S1 119.968(10) 3 . ?
Ag2 S1 Ag3 85.58(17) . . ?
C1 S1 Ag2 104.7(6) . . ?
C1 S1 Ag3 107.9(4) . . ?
Ag2 S2 Ag1 85.77(18) . . ?
C10 S2 Ag1 108.4(4) . . ?
C10 S2 Ag2 104.6(6) . . ?
C5 O2 C6 121.1(14) . . ?
C14 O4 C15 121.6(13) . . ?
C4 N1 C3 111.8(12) . . ?
C5 N1 C3 119.6(14) . . ?
C5 N1 C4 128.4(15) . . ?
C13 N2 C12 112.2(12) . . ?
C14 N2 C12 115.5(13) . . ?
C14 N2 C13 132.1(15) . . ?
S1 C1 H1 107.3 . . ?
C2 C1 S1 118.4(11) . . ?
C2 C1 H1 107.3 . . ?
C2 C1 C4 103.7(13) . . ?
C4 C1 S1 112.4(11) . . ?
C4 C1 H1 107.3 . . ?
C1 C2 H2A 110.9 . . ?
C1 C2 H2B 110.9 . . ?
C1 C2 C3 104.5(13) . . ?
H2A C2 H2B 108.9 . . ?
C3 C2 H2A 110.9 . . ?
C3 C2 H2B 110.9 . . ?
N1 C3 C2 101.0(13) . . ?
N1 C3 H3A 111.6 . . ?
N1 C3 H3B 111.6 . . ?
C2 C3 H3A 111.6 . . ?
C2 C3 H3B 111.6 . . ?
H3A C3 H3B 109.4 . . ?
N1 C4 C1 102.5(12) . . ?
N1 C4 H4A 111.3 . . ?
N1 C4 H4B 111.3 . . ?
C1 C4 H4A 111.3 . . ?
C1 C4 H4B 111.3 . . ?
H4A C4 H4B 109.2 . . ?
O1 C5 O2 127(2) . . ?
O1 C5 N1 126(2) . . ?
O2 C5 N1 107.0(16) . . ?
C7 C6 O2 105.9(15) . . ?
C8 C6 O2 108.4(15) . . ?
C8 C6 C7 111.2(16) . . ?
C9 C6 O2 109.7(15) . . ?
C9 C6 C7 111.1(16) . . ?
C9 C6 C8 110.4(15) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
S2 C10 H10 107.3 . . ?
C11 C10 S2 119.0(11) . . ?
C11 C10 H10 107.3 . . ?
C11 C10 C13 103.2(13) . . ?
C13 C10 S2 112.2(11) . . ?
C13 C10 H10 107.3 . . ?
C10 C11 H11A 110.8 . . ?
C10 C11 H11B 110.8 . . ?
C10 C11 C12 104.7(13) . . ?
H11A C11 H11B 108.9 . . ?
C12 C11 H11A 110.8 . . ?
C12 C11 H11B 110.8 . . ?
N2 C12 C11 100.3(12) . . ?
N2 C12 H12A 111.7 . . ?
N2 C12 H12B 111.7 . . ?
C11 C12 H12A 111.7 . . ?
C11 C12 H12B 111.7 . . ?
H12A C12 H12B 109.5 . . ?
N2 C13 C10 102.6(12) . . ?
N2 C13 H13A 111.3 . . ?
N2 C13 H13B 111.3 . . ?
C10 C13 H13A 111.3 . . ?
C10 C13 H13B 111.3 . . ?
H13A C13 H13B 109.2 . . ?
O3 C14 O4 121.1(18) . . ?
O3 C14 N2 134.4(19) . . ?
N2 C14 O4 104.0(14) . . ?
O4 C15 C16 104.9(12) . . ?
O4 C15 C17 109.0(13) . . ?
O4 C15 C18 109.9(13) . . ?
C17 C15 C16 111.2(14) . . ?
C18 C15 C16 110.8(14) . . ?
C18 C15 C17 110.9(13) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.701(5)
2 0.299(5)

####################################################################### 
# 
# 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_s-ag5-mof
_database_code_depnum_ccdc_archive 'CCDC 2192032'
loop_
_audit_author_name
_audit_author_address
'Xi-Ming Luo'
;ZhengZhou university
China
;
_audit_update_record             
;
2022-09-26 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
_audit_creation_date             2022-09-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'0.33(C54 H96 Ag5 N6 O12 S6), 0.11(C333 H648 Ag30 N36 Na9 O99 S36)'
_chemical_formula_sum            'C55 H104 Ag5 N6 Na O15 S6'
_chemical_formula_weight         1844.14
_chemical_absolute_configuration syn
_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 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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      trigonal
_space_group_IT_number           143
_space_group_name_H-M_alt        'P 3'
_space_group_name_Hall           'P 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'

_cell_length_a                   46.5977(4)
_cell_length_b                   46.5977(4)
_cell_length_c                   9.12498(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     17159.0(3)
_cell_formula_units_Z            9
_cell_measurement_reflns_used    26092
_cell_measurement_temperature    100
_cell_measurement_theta_max      73.4830
_cell_measurement_theta_min      3.2870
_shelx_estimated_absorpt_T_max   0.581
_shelx_estimated_absorpt_T_min   0.322
_exptl_absorpt_coefficient_mu    12.198
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8442
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_unetI/netI     0.0630
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       57
_diffrn_reflns_limit_h_min       -58
_diffrn_reflns_limit_k_max       57
_diffrn_reflns_limit_k_min       -55
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            64009
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.819
_diffrn_reflns_theta_min         2.897
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     89.00 129.00   0.50    5.00    --   98.80 -67.00-128.00   80
  2  ω     99.00 154.00   0.50    5.00    --   98.80  67.00   4.00  110
  3  ω     32.00  58.00   0.50    5.00    --   98.80 -67.00-128.00   52
  4  ω    -85.00 -60.00   0.50    1.00    --    0.00 -67.00-128.00   50
  5  ω    -29.00  60.00   0.50    1.00    --    0.00  38.00-120.00  178
  6  ω     65.00 188.00   0.50    5.00    --   98.80  30.00 150.00  246
  7  ω     60.00 128.00   0.50    5.00    --   98.80 -77.00 150.00  136
  8  ω     68.00 177.00   0.50    5.00    --   98.80  61.00  30.00  218
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0235691000
_diffrn_orient_matrix_UB_12      -0.0138679000
_diffrn_orient_matrix_UB_13      0.0225549000
_diffrn_orient_matrix_UB_21      0.0248484000
_diffrn_orient_matrix_UB_22      0.0258896000
_diffrn_orient_matrix_UB_23      -0.1079140000
_diffrn_orient_matrix_UB_31      0.0169007000
_diffrn_orient_matrix_UB_32      0.0243673000
_diffrn_orient_matrix_UB_33      0.1278064000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.955
_reflns_Friedel_fraction_full    0.981
_reflns_Friedel_fraction_max     0.939
_reflns_number_gt                28287
_reflns_number_total             29925
_reflns_odcompleteness_completeness 99.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.673
_refine_diff_density_min         -0.779
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.010(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.918
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2492
_refine_ls_number_reflns         29925
_refine_ls_number_restraints     686
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0312
_refine_ls_restrained_S_all      0.921
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
_refine_ls_wR_factor_ref         0.0715
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.5722(9)
 0.4278(9)
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, All C(H,H,H,H,H,H) groups, All O(H) groups, All O(H,H)
  groups
3. Restrained distances
 C156-C95 = C154-C95 = C117-C95
 1.53 with sigma of 0.01
 O3AA-C3AA
 1.45 with sigma of 0.01
 O4AA-H4AA
 0.85 with sigma of 0.01
 O3AA-H3AA
 0.85 with sigma of 0.01
 O1AA-H1AA
 0.85 with sigma of 0.01
 O45-C0AA
 1.45 with sigma of 0.01
 O2AA-H2AD
 0.85 with sigma of 0.01
 O2AA-C1AA
 1.45 with sigma of 0.01
 O0AA-C4AA
 1.45 with sigma of 0.02
 O0AA-H0AG
 0.85 with sigma of 0.01
 C2AA-O4AA
 1.45 with sigma of 0.01
 Na2-H4AA
 3.126768 with sigma of 0.02
 C3AA-H3AA
 1.896712 with sigma of 0.02
 Na2-H3AA
 2.87461 with sigma of 0.02
 Na3-H1AA
 3.073459 with sigma of 0.02
 C0AA-H1AA
 1.84795 with sigma of 0.02
 Na1-H2AD
 3.137947 with sigma of 0.02
 C1AA-H2AD
 1.899146 with sigma of 0.02
 C4AA-H0AG
 1.883665 with sigma of 0.02
 Na1-H0AG
 2.951114 with sigma of 0.02
 C2AA-H4AA
 1.912635 with sigma of 0.02
4. Rigid bond restraints
 C0AA, O1AA, O45
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C1AA, O0AA, Na1, O2AA
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C3AA, C2AA, O4AA, O3AA
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
C0AA \\sim O1AA \\sim O45: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.01
C143 \\sim C123 \\sim C158 \\sim C114: within 3A with sigma of 0.01 and sigma
for terminal atoms of 0.01
C4AA \\sim O0AA \\sim O2AA \\sim C1AA \\sim Na1: within 3A with sigma of 0.01
and sigma for terminal atoms of 0.01
C3AA \\sim C2AA \\sim O3AA \\sim O4AA: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.01
Uanis(C67) \\sim Ueq, Uanis(C117) \\sim Ueq, Uanis(C120) \\sim Ueq, Uanis(C125)
\\sim Ueq, Uanis(C139) \\sim Ueq, Uanis(C156) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O26) \\sim Ueq, Uanis(O28) \\sim Ueq, Uanis(O32) \\sim Ueq, Uanis(C100)
\\sim Ueq, Uanis(C146) \\sim Ueq, Uanis(C161) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C24) \\sim Ueq, Uanis(C116) \\sim Ueq, Uanis(C147) \\sim Ueq, Uanis(C135)
\\sim Ueq, Uanis(C114) \\sim Ueq, Uanis(C143) \\sim Ueq, Uanis(C123) \\sim Ueq,
Uanis(C158) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(C154)
\\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C117) \\sim Ueq, Uanis(C129) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C66) \\sim Ueq, Uanis(N6) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C61)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C121) \\sim Ueq, Uanis(C151) \\sim Ueq, Uanis(C136) \\sim Ueq,
Uanis(C146) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C97) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C115) \\sim Ueq, Uanis(C110)
\\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C150) \\sim Ueq, Uanis(C139) \\sim Ueq,
Uanis(C120) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C41) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C2)
\\sim Ueq, Uanis(C67) \\sim Ueq, Uanis(C70) \\sim Ueq, Uanis(C54) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C54) \\sim Ueq, Uanis(C119) \\sim Ueq, Uanis(C110) \\sim Ueq, Uanis(C11)
\\sim Ueq, Uanis(N12) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C54) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(Ag12) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C24) \\sim Ueq, Uanis(C54) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(O9) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C102) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(C51) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(C81)
\\sim Ueq, Uanis(C92) \\sim Ueq, Uanis(C38) \\sim Ueq: with sigma of 0.005 and
sigma for terminal atoms of 0.01
Uanis(C134) \\sim Ueq, Uanis(C159) \\sim Ueq, Uanis(C133) \\sim Ueq,
Uanis(C160) \\sim Ueq, Uanis(C63) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(N8) \\sim Ueq, Uanis(C16) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C3AA) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C67) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C117)
\\sim Ueq, Uanis(C156) \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C154) \\sim Ueq,
Uanis(C98) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C70) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(C127) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C50) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(O1AA) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(O45) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C59) \\sim Ueq, Uanis(C108) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C112)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C59) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C44) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C141) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C84) \\sim Ueq, Uanis(C87)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C71) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O2AA) \\sim Ueq, Uanis(O0AA) \\sim Ueq, Uanis(C1AA) \\sim Ueq: with sigma
of 0.005 and sigma for terminal atoms of 0.01
Uanis(O3AA) \\sim Ueq, Uanis(C2AA) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C67) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C2AA) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C2AA) \\sim Ueq, Uanis(O3AA) \\sim Ueq, Uanis(O40) \\sim Ueq, Uanis(C148)
\\sim Ueq, Uanis(C149) \\sim Ueq, Uanis(C155) \\sim Ueq: with sigma of 0.005
and sigma for terminal atoms of 0.01
Uanis(O1AA) = Uanis(O45)
6. Others
 Sof(O1AA)=Sof(H1AA)=Sof(H0AD)=Sof(H0AE)=Sof(H0AF)=1-FVAR(1)
 Sof(O45)=Sof(H45)=Sof(H0AA)=Sof(H0AB)=Sof(H0AC)=FVAR(1)
 Sof(C2AA)=Sof(H2AA)=Sof(H2AB)=Sof(H2AC)=Sof(O4AA)=Sof(H4AA)=1-FVAR(2)
 Sof(O3AA)=Sof(H3AA)=Sof(C3AA)=Sof(H3AB)=Sof(H3AC)=Sof(H3AD)=FVAR(2)
 Sof(C1AA)=Sof(H1AB)=Sof(H1AC)=Sof(H1AD)=Sof(O2AA)=Sof(H2AD)=1-FVAR(3)
 Sof(O0AA)=Sof(H0AG)=Sof(C4AA)=Sof(H4AB)=Sof(H4AC)=Sof(H4AD)=FVAR(3)
7.a Riding coordinates:
 O38(H38A,H38B), O39(H39A,H39B), O40(H40A,H40B), O41(H41A,H41B), O42(H42A,
 H42B), O45(H45), C0AA(H0AA,H0AB,H0AC), C0AA(H0AD,H0AE,H0AF), C1AA(H1AB,H1AC,
 H1AD), C2AA(H2AA,H2AB,H2AC)
7.b Rotating group:
 O36(H36A,H36B)
7.c Ternary CH refined with riding coordinates:
 C3(H3), C44(H44), C14(H14), C15(H15), C17(H17), C18(H18), C32(H32), C33(H33),
 C54(H54), C61(H61), C64(H64), C68(H68), C91(H91), C122(H122), C16(H16),
 C74(H74), C57(H57), C101(H101)
7.d Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C6(H6A,H6B), C8(H8A,H8B), C13(H13T,H13U), C26(H26A,H26B),
 C29(H29A,H29B), C5(H5A,H5B), C7(H7A,H7B), C11(H11A,H11B), C21(H21A,H21B),
 C25(H25A,H25B), C30(H30A,H30B), C34(H34A,H34B), C35(H35A,H35B), C37(H37A,H37B),
  C39(H39C,H39D), C41(H41C,H41D), C47(H47A,H47B), C49(H49A,H49B), C50(H50A,
 H50B), C51(H51A,H51B), C56(H56A,H56B), C65(H65A,H65B), C71(H71A,H71B),
 C73(H73A,H73B), C78(H78A,H78B), C79(H79A,H79B), C81(H81A,H81B), C85(H85A,H85B),
  C86(H86A,H86B), C92(H92A,H92B), C94(H94A,H94B), C110(H11C,H11D), C111(H11E,
 H11F), C113(H11J,H11K), C119(H11X,H11Y), C126(H12M,H12N), C128(H12R,H12S),
 C131(H13D,H13E), C137(H13O,H13P), C142(H14D,H14E), C152(H15D,H15E), C20(H20A,
 H20B), C48(H48A,H48B), C55(H55A,H55B), C69(H69A,H69B), C72(H72A,H72B),
 C138(H13Y,H), C22(H22A,H22B), C38(H38C,H38D), C40(H40C,H40D), C76(H76A,H76B),
 C99(H99A,H99B), C144(H14U,H14V)
7.e Idealised Me refined as rotating group:
 C60(H60A,H60B,H60C), C67(H67A,H67B,H67C), C70(H70A,H70B,H70C), C90(H90A,H90B,
 H90C), C98(H98A,H98B,H98C), C153(H15O,H15P,H15Q), C31(H31A,H31B,H31C),
 C42(H42C,H42D,H42E), C43(H43A,H43B,H43C), C59(H59A,H59B,H59C), C80(H80A,H80B,
 H80C), C82(H82A,H82B,H82C), C84(H84A,H84B,H84C), C87(H87A,H87B,H87C), C89(H89A,
 H89B,H89C), C97(H97A,H97B,H97C), C105(H10A,H10B,H10C), C108(H10D,H10E,H10F),
 C112(H11G,H11H,H11I), C114(H11L,H11M,H11N), C115(H11O,H11P,H11Q), C116(H11R,
 H11S,H11T), C118(H11U,H11V,H11W), C120(H12A,H12B,H12C), C123(H12D,H12E,H12F),
 C124(H12G,H12H,H12I), C125(H12J,H12K,H12L), C127(H12O,H12P,H12Q), C130(H13A,
 H13B,H13C), C133(H13F,H13G,H13H), C134(H13I,H13J,H13K), C135(H13L,H13M,H13N),
 C139(H13Q,H13R,H13S), C141(H14A,H14B,H14C), C147(H14F,H14G,H14H), C148(H14I,
 H14J,H14K), C149(H14L,H14M,H14N), C150(H15A,H15B,H15C), C155(H15F,H15G,H15H),
 C157(H15I,H15J,H15K), C158(H15L,H15M,H15N), C160(H16A,H16B,H16C), C100(H10G,
 H10H,H10I), C136(H13V,H13W,H13X), C146(H14O,H14P,H14Q), C151(H15R,H15S,H15T),
 C159(H15U,H15V,H15W), C161(H16D,H16E,H16F), C103(H10J,H10K,H10L), C117(H11Z,HA,
 HB), C140(H14R,H14S,H14T), C154(H15X,H15Y,HC), C156(H15Z,HD,HE), C162(H16G,
 H16H,H16I), C3AA(H3AB,H3AC,H3AD), C4AA(H4AB,H4AC,H4AD)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 -0.333333 -0.666667 -1.48810(16) 0.0188(3) Uani 1 3 d S T P . .
Ag3 Ag -0.30000(2) -0.60905(2) -1.23451(10) 0.02319(17) Uani 1 1 d . . . . .
Ag5 Ag -0.333333 -0.666667 -0.97720(16) 0.0206(3) Uani 1 3 d S T P . .
S1 S -0.30172(7) -0.60563(7) -0.9760(4) 0.0229(6) Uani 1 1 d . . . . .
S7 S -0.29561(6) -0.60633(7) -1.4931(3) 0.0214(6) Uani 1 1 d . . . . .
O3 O -0.29280(18) -0.48925(17) -1.4995(8) 0.0239(15) Uani 1 1 d . . . . .
O10 O -0.1807(2) -0.49696(19) -0.9742(9) 0.0297(18) Uani 1 1 d . . . . .
O14 O -0.14755(19) -0.5191(2) -0.9383(10) 0.037(2) Uani 1 1 d . . . . .
O17 O -0.34801(18) -0.50662(18) -1.5078(10) 0.0296(18) Uani 1 1 d . . . . .
N1 N -0.2036(2) -0.5511(2) -0.9476(10) 0.0221(18) Uani 1 1 d . . . . .
N2 N -0.3292(2) -0.5431(2) -1.5123(10) 0.0229(18) Uani 1 1 d . . . . .
C1 C -0.2368(3) -0.5550(3) -0.9590(12) 0.022(2) Uani 1 1 d . . . . .
H1A H -0.241500 -0.551080 -1.060510 0.026 Uiso 1 1 calc R . . . .
H1B H -0.239239 -0.539666 -0.892029 0.026 Uiso 1 1 calc R . . . .
C2 C -0.1540(3) -0.4621(3) -0.9764(12) 0.032(2) Uani 1 1 d . U . . .
C3 C -0.2589(3) -0.5901(3) -0.9149(13) 0.025(2) Uani 1 1 d . . . . .
H3 H -0.258967 -0.591155 -0.805463 0.030 Uiso 1 1 calc R . . . .
C6 C -0.3544(2) -0.6003(3) -1.4838(13) 0.026(2) Uani 1 1 d . . . . .
H6A H -0.370638 -0.621299 -1.531629 0.031 Uiso 1 1 calc R . . . .
H6B H -0.354359 -0.604095 -1.376983 0.031 Uiso 1 1 calc R . . . .
C8 C -0.2406(3) -0.6074(3) -0.9726(13) 0.025(2) Uani 1 1 d . . . . .
H8A H -0.247977 -0.628752 -0.921648 0.030 Uiso 1 1 calc R . . . .
H8B H -0.243983 -0.611508 -1.079341 0.030 Uiso 1 1 calc R . . . .
C12 C -0.1747(3) -0.5222(3) -0.9529(13) 0.032(3) Uani 1 1 d . . . . .
C13 C -0.3619(3) -0.5731(3) -1.5157(13) 0.024(2) Uani 1 1 d . . . . .
H13T H -0.372360 -0.576116 -1.613110 0.029 Uiso 1 1 calc R . . . .
H13U H -0.376658 -0.572212 -1.440174 0.029 Uiso 1 1 calc R . . . .
C26 C -0.3022(2) -0.5501(2) -1.5090(11) 0.021(2) Uani 1 1 d . . . . .
H26A H -0.292032 -0.546088 -1.410393 0.025 Uiso 1 1 calc R . . . .
H26B H -0.284897 -0.536532 -1.581715 0.025 Uiso 1 1 calc R . . . .
C28 C -0.3248(3) -0.5122(3) -1.5076(12) 0.021(2) Uani 1 1 d . U . . .
C29 C -0.2048(3) -0.5829(3) -0.9382(14) 0.027(2) Uani 1 1 d . . . . .
H29A H -0.198750 -0.586644 -0.838851 0.033 Uiso 1 1 calc R . . . .
H29B H -0.189757 -0.584384 -1.010714 0.033 Uiso 1 1 calc R . . . .
C44 C -0.3197(3) -0.5870(3) -1.5489(12) 0.022(2) Uani 1 1 d . U . . .
H44 H -0.322010 -0.588830 -1.658001 0.026 Uiso 1 1 calc R . . . .
C45 C -0.2818(3) -0.4538(2) -1.4972(12) 0.023(2) Uani 1 1 d . . . . .
C60 C -0.2921(3) -0.4447(3) -1.6453(13) 0.035(3) Uani 1 1 d . . . . .
H60A H -0.316196 -0.453860 -1.646717 0.053 Uiso 1 1 calc GR . . . .
H60B H -0.285696 -0.453960 -1.726832 0.053 Uiso 1 1 calc GR . . . .
H60C H -0.280989 -0.420536 -1.655077 0.053 Uiso 1 1 calc GR . . . .
C67 C -0.1373(4) -0.4533(4) -0.8265(14) 0.058(4) Uani 1 1 d . U . . .
H67A H -0.127382 -0.467188 -0.806745 0.087 Uiso 1 1 calc GR . . . .
H67B H -0.153826 -0.457257 -0.751053 0.087 Uiso 1 1 calc GR . . . .
H67C H -0.119974 -0.429944 -0.825426 0.087 Uiso 1 1 calc GR . . . .
C70 C -0.1303(3) -0.4557(3) -1.0971(13) 0.044(3) Uani 1 1 d . U . . .
H70A H -0.142269 -0.462341 -1.190444 0.067 Uiso 1 1 calc GR . . . .
H70B H -0.119127 -0.468551 -1.080724 0.067 Uiso 1 1 calc GR . . . .
H70C H -0.113779 -0.432058 -1.100025 0.067 Uiso 1 1 calc GR . . . .
C90 C -0.2946(3) -0.4449(2) -1.3701(14) 0.032(2) Uani 1 1 d . . . . .
H90A H -0.287097 -0.450693 -1.280354 0.049 Uiso 1 1 calc GR . . . .
H90B H -0.318870 -0.456944 -1.373049 0.049 Uiso 1 1 calc GR . . . .
H90C H -0.286406 -0.420991 -1.371321 0.049 Uiso 1 1 calc GR . . . .
C98 C -0.1725(4) -0.4435(3) -1.0016(18) 0.050(4) Uani 1 1 d . U . . .
H98A H -0.188117 -0.448142 -0.921105 0.075 Uiso 1 1 calc GR . . . .
H98B H -0.184623 -0.450663 -1.094438 0.075 Uiso 1 1 calc GR . . . .
H98C H -0.156642 -0.419652 -1.005607 0.075 Uiso 1 1 calc GR . . . .
C153 C -0.2445(3) -0.4386(3) -1.4919(18) 0.050(4) Uani 1 1 d . . . . .
H15O H -0.236914 -0.444767 -1.580307 0.074 Uiso 1 1 calc GR . . . .
H15P H -0.238334 -0.446715 -1.405154 0.074 Uiso 1 1 calc GR . . . .
H15Q H -0.234051 -0.414397 -1.486715 0.074 Uiso 1 1 calc GR . . . .
Ag2 Ag -0.33401(2) -0.33807(2) -0.99684(10) 0.02109(18) Uani 1 1 d . . . . .
Ag4 Ag -0.33265(2) -0.33812(2) -1.50548(10) 0.02018(17) Uani 1 1 d . . . . .
Ag6 Ag -0.30372(2) -0.28059(2) -1.24678(10) 0.02176(16) Uani 1 1 d . . . . .
Ag7 Ag -0.39082(2) -0.36621(2) -1.26631(9) 0.02090(17) Uani 1 1 d . . . . .
Ag8 Ag -0.30508(2) -0.36686(2) -1.23911(10) 0.02446(19) Uani 1 1 d . . . . .
Ag9 Ag -0.33289(2) -0.00379(2) -1.51948(10) 0.02076(17) Uani 1 1 d . . . . .
Ag10 Ag -0.05347(2) -0.35835(2) -1.25123(10) 0.02109(16) Uani 1 1 d . . . . .
Ag12 Ag -0.39094(2) -0.03346(2) -1.27778(10) 0.02389(18) Uani 1 1 d . U . . .
Ag13 Ag -0.33380(2) -0.00519(2) -1.01055(10) 0.02022(16) Uani 1 1 d . . . . .
Ag15 Ag -0.30519(3) -0.03393(2) -1.26360(12) 0.02261(16) Uani 1 1 d . . . . .
S2 S -0.39550(7) -0.36862(7) -1.0069(3) 0.0197(6) Uani 1 1 d . . . . .
S3 S -0.30127(7) -0.27645(7) -0.9872(3) 0.0204(6) Uani 1 1 d . . . . .
S4 S -0.30289(7) -0.36836(7) -0.9784(4) 0.0232(6) Uani 1 1 d . . . . .
S5 S -0.05597(7) -0.35939(7) -0.9908(4) 0.0212(6) Uani 1 1 d . . . . .
S6 S -0.30084(7) -0.36701(7) -1.4968(4) 0.0219(6) Uani 1 1 d . . . . .
S8 S -0.39501(7) -0.03364(7) -1.0175(4) 0.0222(6) Uani 1 1 d . . . . .
S11 S -0.30382(7) -0.03617(7) -1.0029(3) 0.0198(6) Uani 1 1 d . . . . .
S12 S -0.30328(7) -0.27705(7) -1.5057(3) 0.0201(6) Uani 1 1 d . . . . .
S13 S -0.39320(7) -0.36745(7) -1.5265(3) 0.0195(6) Uani 1 1 d . . . . .
S14 S -0.39428(7) -0.03475(7) -1.5370(4) 0.0243(7) Uani 1 1 d . . . . .
S16 S -0.05756(7) -0.36065(7) -1.5094(3) 0.0196(6) Uani 1 1 d . . . . .
S17 S -0.30414(7) -0.03643(7) -1.5230(4) 0.0229(6) Uani 1 1 d . . . . .
Na1 Na -0.43480(11) -0.22677(10) -0.9455(5) 0.0405(10) Uani 1 1 d D U . . .
Na2 Na -0.12157(10) -0.23559(12) -0.9315(5) 0.0395(10) Uani 1 1 d D . . . .
Na3 Na -0.45888(11) -0.55640(10) -1.5711(5) 0.0371(11) Uani 1 1 d D . . . .
O1 O -0.15759(17) -0.49051(18) -1.4484(9) 0.0253(15) Uani 1 1 d . . . . .
O2 O -0.3205(2) -0.49158(19) -1.0235(9) 0.0263(17) Uani 1 1 d . . . . .
O4 O -0.3745(2) -0.5227(2) -0.9445(12) 0.043(2) Uani 1 1 d . . . . .
O5 O -0.12811(18) -0.51537(17) -1.5167(9) 0.0302(17) Uani 1 1 d . . . . .
O6 O -0.49685(19) -0.0077(2) -1.0413(9) 0.0241(17) Uani 1 1 d . . . . .
O7 O -0.5023(2) -0.4876(2) -1.5339(9) 0.0328(19) Uani 1 1 d . . . . .
O8 O -0.17281(18) -0.34092(18) -1.4695(8) 0.0258(16) Uani 1 1 d . . . . .
O9 O -0.3232(2) -0.16092(18) -0.9976(8) 0.0265(17) Uani 1 1 d . U . . .
O11 O -0.16479(19) -0.3479(2) -0.9796(9) 0.036(2) Uani 1 1 d . . . . .
O12 O -0.17921(18) -0.01715(19) -1.4823(9) 0.0288(17) Uani 1 1 d . . . . .
O13 O -0.32466(19) -0.17313(17) -1.4913(9) 0.0260(17) Uani 1 1 d . . . . .
O15 O -0.50202(18) -0.15761(19) -1.5011(9) 0.0305(18) Uani 1 1 d . . . . .
O16 O -0.49374(16) -0.33657(17) -1.0723(8) 0.0224(14) Uani 1 1 d . . . . .
O19 O -0.46412(17) -0.28233(18) -1.0032(8) 0.0274(16) Uani 1 1 d . . . . .
O21 O -0.4805(3) -0.5219(2) -1.5323(10) 0.044(2) Uani 1 1 d . . . . .
O22 O -0.3799(2) -0.19111(19) -0.9973(10) 0.039(2) Uani 1 1 d . . . . .
O23 O -0.14584(16) -0.20463(18) -0.9908(9) 0.0316(16) Uani 1 1 d . . . . .
O24 O -0.17290(16) -0.17656(17) -1.0546(8) 0.0227(14) Uani 1 1 d . . . . .
O25 O -0.1424(2) -0.2914(3) -0.9748(10) 0.043(2) Uani 1 1 d . . . . .
O26 O -0.14954(18) 0.0369(2) -1.5566(11) 0.042(2) Uani 1 1 d . U . . .
O28 O -0.4789(2) -0.18905(19) -1.5610(12) 0.047(2) Uani 1 1 d . U . . .
O30 O -0.46723(19) 0.0490(2) -1.0518(12) 0.043(2) Uani 1 1 d . . . . .
O31 O -0.14648(19) -0.28440(19) -1.4651(13) 0.050(3) Uani 1 1 d . . . . .
O32 O -0.3815(2) -0.2007(2) -1.4884(12) 0.048(2) Uani 1 1 d . U . . .
O36 O -0.14189(18) -0.23973(18) -0.6932(9) 0.0386(18) Uani 1 1 d . . . . .
H36A H -0.129505 -0.243556 -0.618806 0.058 Uiso 1 1 d GR . . . .
H36B H -0.140353 -0.219544 -0.654173 0.058 Uiso 1 1 d GR . . . .
O38 O -0.42798(17) -0.24180(18) -0.7116(8) 0.0353(17) Uani 1 1 d . . . . .
H38A H -0.414769 -0.229531 -0.645849 0.053 Uiso 1 1 d R . . . .
H38B H -0.446889 -0.251151 -0.671199 0.053 Uiso 1 1 d R . . . .
O39 O -0.4593(3) -0.2000(3) -0.8408(16) 0.084(4) Uani 1 1 d . . . . .
H39A H -0.464610 -0.197601 -0.755220 0.127 Uiso 1 1 d R . . . .
H39B H -0.460450 -0.185211 -0.890220 0.127 Uiso 1 1 d R . . . .
O40 O -0.0699(2) -0.2095(2) -0.8316(13) 0.064(3) Uani 1 1 d . U . . .
H40A H -0.060584 -0.197921 -0.755577 0.095 Uiso 1 1 d R . . . .
H40B H -0.055264 -0.200201 -0.898397 0.095 Uiso 1 1 d R . . . .
O41 O -0.4783(2) -0.57124(19) -1.8115(8) 0.0355(18) Uani 1 1 d . . . . .
H41A H -0.473562 -0.583590 -1.868690 0.053 Uiso 1 1 d R . . . .
H41B H -0.481002 -0.558340 -1.874510 0.053 Uiso 1 1 d R . . . .
O42 O -0.4073(2) -0.5336(2) -1.6588(12) 0.054(2) Uani 1 1 d . . . . .
H42A H -0.401326 -0.539379 -1.735590 0.081 Uiso 1 1 d R . . . .
H42B H -0.389996 -0.515989 -1.631300 0.081 Uiso 1 1 d R . . . .
N3 N -0.1033(2) -0.4593(2) -1.4968(10) 0.0203(18) Uani 1 1 d . U . . .
N4 N -0.3489(3) -0.4669(3) -0.9807(13) 0.032(2) Uani 1 1 d . . . . .
N5 N -0.20222(19) -0.3152(2) -1.4729(10) 0.0230(18) Uani 1 1 d . . . . .
N6 N -0.4481(2) -0.4655(2) -1.5343(11) 0.023(2) Uani 1 1 d . U . . .
N7 N -0.1103(2) -0.3156(2) -0.9760(10) 0.0210(18) Uani 1 1 d . . . . .
N8 N -0.3517(2) -0.1349(2) -0.9966(10) 0.024(2) Uani 1 1 d . U . . .
N9 N -0.3527(2) -0.2279(2) -1.4948(10) 0.0232(19) Uani 1 1 d . . . . .
N12 N -0.4422(2) 0.0180(2) -1.0384(12) 0.025(2) Uani 1 1 d . U . . .
N13 N -0.20232(19) -0.2303(2) -1.0049(11) 0.0229(19) Uani 1 1 d . . . . .
N15 N -0.4481(2) -0.1337(2) -1.5385(13) 0.030(2) Uani 1 1 d . . . . .
N16 N -0.4405(2) -0.3140(2) -1.0227(10) 0.0224(19) Uani 1 1 d . . . . .
N18 N -0.2052(2) 0.0108(2) -1.5273(12) 0.033(2) Uani 1 1 d . . . . .
C4 C -0.1292(2) -0.4902(2) -1.4893(11) 0.020(2) Uani 1 1 d . . . . .
C5 C -0.2331(2) -0.3464(3) -1.4849(11) 0.021(2) Uani 1 1 d . . . . .
H5A H -0.239529 -0.358230 -1.389854 0.025 Uiso 1 1 calc R . . . .
H5B H -0.231576 -0.360981 -1.559698 0.025 Uiso 1 1 calc R . . . .
C7 C -0.3199(3) -0.4342(3) -0.9970(13) 0.021(2) Uani 1 1 d . . . . .
H7A H -0.314322 -0.428709 -1.101720 0.025 Uiso 1 1 calc R . . . .
H7B H -0.300492 -0.433028 -0.946334 0.025 Uiso 1 1 calc R . . . .
C9 C -0.4689(3) 0.0216(3) -1.0451(13) 0.023(2) Uani 1 1 d . . . . .
C10 C -0.3505(3) -0.4960(3) -0.9763(16) 0.035(3) Uani 1 1 d . . . . .
C11 C -0.4418(3) -0.0137(3) -1.0262(13) 0.023(2) Uani 1 1 d . U . . .
H11A H -0.447210 -0.025523 -1.121149 0.027 Uiso 1 1 calc R . . . .
H11B H -0.457702 -0.028371 -0.950972 0.027 Uiso 1 1 calc R . . . .
C14 C -0.3339(3) -0.0792(3) -0.9592(13) 0.025(2) Uani 1 1 d . U . . .
H14 H -0.338094 -0.080117 -0.851413 0.030 Uiso 1 1 calc R . . . .
C15 C -0.2587(3) -0.2622(3) -0.9450(14) 0.026(2) Uani 1 1 d . . . . .
H15 H -0.255942 -0.257438 -0.837460 0.031 Uiso 1 1 calc R . . . .
C17 C -0.3341(3) -0.2649(2) -1.5446(12) 0.022(2) Uani 1 1 d . . . . .
H17 H -0.338500 -0.267294 -1.652384 0.026 Uiso 1 1 calc R . . . .
C18 C -0.0700(3) -0.3309(3) -0.9405(12) 0.026(2) Uani 1 1 d . . . . .
H18 H -0.066421 -0.326658 -0.832714 0.031 Uiso 1 1 calc R . . . .
C19 C -0.1895(2) -0.5221(3) -1.4401(12) 0.026(2) Uani 1 1 d . . . . .
C21 C -0.2443(3) -0.2856(3) -0.9785(15) 0.031(3) Uani 1 1 d . . . . .
H21A H -0.252345 -0.303945 -0.906887 0.037 Uiso 1 1 calc R . . . .
H21B H -0.250135 -0.294854 -1.078676 0.037 Uiso 1 1 calc R . . . .
C23 C -0.1414(2) -0.3419(3) -1.4749(11) 0.024(2) Uani 1 1 d . . . . .
C24 C -0.3195(3) -0.1909(2) -0.9956(11) 0.025(2) Uani 1 1 d . U . . .
C25 C -0.4170(3) -0.4653(3) -1.5268(13) 0.024(2) Uani 1 1 d . . . . .
H25A H -0.412052 -0.472724 -1.620342 0.029 Uiso 1 1 calc R . . . .
H25B H -0.417073 -0.479584 -1.446255 0.029 Uiso 1 1 calc R . . . .
C27 C -0.3148(3) -0.5202(3) -1.0216(13) 0.026(2) Uani 1 1 d . . . . .
C30 C -0.1037(2) -0.4287(2) -1.4803(12) 0.021(2) Uani 1 1 d . . . . .
H30A H -0.103230 -0.422851 -1.375647 0.025 Uiso 1 1 calc R . . . .
H30B H -0.123412 -0.429984 -1.527574 0.025 Uiso 1 1 calc R . . . .
C31 C -0.2000(3) -0.5356(3) -1.5929(13) 0.037(3) Uani 1 1 d . . . . .
H31A H -0.184844 -0.542534 -1.631593 0.055 Uiso 1 1 calc GR . . . .
H31B H -0.199448 -0.518268 -1.656058 0.055 Uiso 1 1 calc GR . . . .
H31C H -0.222586 -0.554599 -1.590495 0.055 Uiso 1 1 calc GR . . . .
C32 C -0.0716(3) -0.4036(3) -1.5591(13) 0.022(2) Uani 1 1 d . . . . .
H32 H -0.076199 -0.405908 -1.666769 0.027 Uiso 1 1 calc R . . . .
C33 C -0.2580(3) -0.3353(3) -1.5321(13) 0.023(2) Uani 1 1 d . . . . .
H33 H -0.255477 -0.330858 -1.639935 0.028 Uiso 1 1 calc R . . . .
C34 C -0.2373(3) -0.0193(3) -1.5061(13) 0.027(2) Uani 1 1 d . . . . .
H34A H -0.242210 -0.024658 -1.400882 0.032 Uiso 1 1 calc R . . . .
H34B H -0.238315 -0.038485 -1.557530 0.032 Uiso 1 1 calc R . . . .
C35 C -0.3665(3) -0.4277(3) -0.9694(18) 0.042(3) Uani 1 1 d . . . . .
H35A H -0.378246 -0.419451 -0.907409 0.050 Uiso 1 1 calc R . . . .
H35B H -0.369258 -0.423777 -1.073749 0.050 Uiso 1 1 calc R . . . .
C36 C -0.1992(3) -0.3555(4) -0.9810(12) 0.041(3) Uani 1 1 d . U . . .
C37 C -0.0544(3) -0.2969(3) -1.0196(14) 0.028(3) Uani 1 1 d . . . . .
H37A H -0.031995 -0.281421 -0.980713 0.033 Uiso 1 1 calc R . . . .
H37B H -0.052792 -0.299432 -1.126558 0.033 Uiso 1 1 calc R . . . .
C39 C -0.4449(3) -0.4330(3) -1.5418(12) 0.022(2) Uani 1 1 d . U . . .
H39C H -0.451017 -0.426938 -1.447818 0.026 Uiso 1 1 calc R . . . .
H39D H -0.458640 -0.431789 -1.621499 0.026 Uiso 1 1 calc R . . . .
C41 C -0.3217(3) -0.2287(3) -1.5031(11) 0.019(2) Uani 1 1 d . U . . .
H41C H -0.310072 -0.223078 -1.407593 0.023 Uiso 1 1 calc R . . . .
H41D H -0.306740 -0.213353 -1.579002 0.023 Uiso 1 1 calc R . . . .
C42 C -0.3387(4) -0.5468(3) -1.1297(13) 0.038(3) Uani 1 1 d . . . . .
H42C H -0.338770 -0.536251 -1.222604 0.057 Uiso 1 1 calc GR . . . .
H42D H -0.361142 -0.558044 -1.088308 0.057 Uiso 1 1 calc GR . . . .
H42E H -0.331500 -0.562945 -1.146869 0.057 Uiso 1 1 calc GR . . . .
C43 C -0.2122(3) -0.5103(3) -1.3798(14) 0.035(3) Uani 1 1 d . . . . .
H43A H -0.214154 -0.495675 -1.451504 0.052 Uiso 1 1 calc GR . . . .
H43B H -0.202943 -0.498100 -1.288354 0.052 Uiso 1 1 calc GR . . . .
H43C H -0.234189 -0.529413 -1.360767 0.052 Uiso 1 1 calc GR . . . .
C46 C -0.1712(2) -0.3113(3) -1.4697(13) 0.027(2) Uani 1 1 d . . . . .
C47 C -0.3790(3) -0.4646(3) -0.9403(19) 0.044(3) Uani 1 1 d . . . . .
H47A H -0.385110 -0.470350 -0.836210 0.053 Uiso 1 1 calc R . . . .
H47B H -0.398184 -0.478984 -1.003201 0.053 Uiso 1 1 calc R . . . .
C49 C -0.1063(3) -0.3448(3) -0.9717(11) 0.021(2) Uani 1 1 d . . . . .
H49A H -0.112516 -0.356590 -1.066790 0.026 Uiso 1 1 calc R . . . .
H49B H -0.120118 -0.360221 -0.893421 0.026 Uiso 1 1 calc R . . . .
C50 C -0.2444(3) -0.3023(3) -1.4536(15) 0.032(3) Uani 1 1 d . U . . .
H50A H -0.251708 -0.305653 -1.350047 0.039 Uiso 1 1 calc R . . . .
H50B H -0.251948 -0.288199 -1.502002 0.039 Uiso 1 1 calc R . . . .
C51 C -0.4411(2) -0.3462(3) -1.0370(12) 0.020(2) Uani 1 1 d . U . . .
H51A H -0.441054 -0.352101 -1.141209 0.024 Uiso 1 1 calc R . . . .
H51B H -0.460870 -0.364329 -0.988125 0.024 Uiso 1 1 calc R . . . .
C52 C -0.5296(2) -0.0092(3) -1.0374(12) 0.024(2) Uani 1 1 d . . . . .
C53 C -0.5377(3) -0.5148(3) -1.5315(14) 0.037(3) Uani 1 1 d . U . . .
C54 C -0.4066(3) -0.0022(3) -0.9815(13) 0.025(2) Uani 1 1 d . U . . .
H54 H -0.404566 0.002431 -0.873850 0.030 Uiso 1 1 calc R . . . .
C56 C -0.3920(3) -0.4284(3) -1.4968(14) 0.030(3) Uani 1 1 d . . . . .
H56A H -0.389821 -0.423580 -1.390442 0.035 Uiso 1 1 calc R . . . .
H56B H -0.369884 -0.421997 -1.537543 0.035 Uiso 1 1 calc R . . . .
C58 C -0.1395(3) -0.3159(3) -0.9763(12) 0.033(3) Uani 1 1 d . . . . .
C59 C -0.2077(4) -0.3442(4) -0.8438(15) 0.053(3) Uani 1 1 d . U . . .
H59A H -0.196526 -0.319960 -0.843131 0.079 Uiso 1 1 calc GR . . . .
H59B H -0.200356 -0.351836 -0.759101 0.079 Uiso 1 1 calc GR . . . .
H59C H -0.231696 -0.353391 -0.838800 0.079 Uiso 1 1 calc GR . . . .
C61 C -0.4072(2) -0.4108(2) -1.5747(11) 0.016(2) Uani 1 1 d . U . . .
H61 H -0.403829 -0.411788 -1.682397 0.019 Uiso 1 1 calc R . . . .
C63 C -0.5259(2) -0.3375(3) -1.0783(11) 0.025(2) Uani 1 1 d . U . . .
C64 C -0.3297(3) -0.4114(3) -0.9276(13) 0.024(2) Uani 1 1 d . . . . .
H64 H -0.328308 -0.413197 -0.818909 0.029 Uiso 1 1 calc R . . . .
C65 C -0.2339(2) -0.2306(3) -1.0223(14) 0.027(2) Uani 1 1 d . . . . .
H65A H -0.239591 -0.231196 -1.127136 0.032 Uiso 1 1 calc R . . . .
H65B H -0.232839 -0.210943 -0.975831 0.032 Uiso 1 1 calc R . . . .
C66 C -0.4776(3) -0.4944(3) -1.5341(12) 0.026(2) Uani 1 1 d . U . . .
C68 C -0.4098(3) -0.0780(3) -1.5845(14) 0.025(2) Uani 1 1 d . . . . .
H68 H -0.411654 -0.079575 -1.693724 0.030 Uiso 1 1 calc R . . . .
C71 C -0.2070(3) -0.2866(3) -1.4638(13) 0.031(2) Uani 1 1 d . U . . .
H71A H -0.198225 -0.272452 -1.552163 0.037 Uiso 1 1 calc R . . . .
H71B H -0.195962 -0.273039 -1.375892 0.037 Uiso 1 1 calc R . . . .
C73 C -0.0782(3) -0.2849(3) -0.9856(15) 0.037(3) Uani 1 1 d . . . . .
H73A H -0.072577 -0.272613 -0.891691 0.044 Uiso 1 1 calc R . . . .
H73B H -0.078357 -0.270390 -1.064580 0.044 Uiso 1 1 calc R . . . .
C75 C -0.1500(3) -0.0219(3) -1.4800(11) 0.030(2) Uani 1 1 d . . . . .
C77 C -0.5363(3) -0.1860(3) -1.4979(13) 0.037(3) Uani 1 1 d . . . . .
C78 C -0.3214(3) -0.1023(3) -0.9896(13) 0.023(2) Uani 1 1 d . U . . .
H78A H -0.309217 -0.096865 -1.083619 0.028 Uiso 1 1 calc R . . . .
H78B H -0.306623 -0.101609 -0.910062 0.028 Uiso 1 1 calc R . . . .
C79 C -0.3859(3) -0.3033(3) -0.9935(15) 0.032(3) Uani 1 1 d . . . . .
H79A H -0.376825 -0.300294 -1.094050 0.038 Uiso 1 1 calc R . . . .
H79B H -0.367327 -0.293566 -0.922561 0.038 Uiso 1 1 calc R . . . .
C80 C -0.1880(3) -0.5464(3) -1.3381(14) 0.041(3) Uani 1 1 d . . . . .
H80A H -0.175265 -0.534818 -1.250567 0.061 Uiso 1 1 calc GR . . . .
H80B H -0.177118 -0.557169 -1.387393 0.061 Uiso 1 1 calc GR . . . .
H80C H -0.210466 -0.563258 -1.309384 0.061 Uiso 1 1 calc GR . . . .
C81 C -0.0488(2) -0.4171(2) -1.5277(12) 0.020(2) Uani 1 1 d . U . . .
H81A H -0.039241 -0.410657 -1.428134 0.024 Uiso 1 1 calc R . . . .
H81B H -0.030520 -0.408637 -1.599903 0.024 Uiso 1 1 calc R . . . .
C82 C -0.1543(3) -0.3791(3) -1.474(2) 0.059(4) Uani 1 1 d . U . . .
H82A H -0.170241 -0.389623 -1.553948 0.089 Uiso 1 1 calc GR . . . .
H82B H -0.165268 -0.388487 -1.380089 0.089 Uiso 1 1 calc GR . . . .
H82C H -0.135762 -0.383143 -1.486961 0.089 Uiso 1 1 calc GR . . . .
C83 C -0.1419(2) -0.1435(3) -1.0617(11) 0.029(2) Uani 1 1 d . . . . .
C84 C -0.5563(5) -0.4960(5) -1.537(2) 0.074(5) Uani 1 1 d . U . . .
H84A H -0.550995 -0.483436 -1.629183 0.111 Uiso 1 1 calc GR . . . .
H84B H -0.549725 -0.480749 -1.454207 0.111 Uiso 1 1 calc GR . . . .
H84C H -0.580152 -0.511686 -1.532972 0.111 Uiso 1 1 calc GR . . . .
C85 C -0.3820(3) -0.2610(3) -1.4880(16) 0.035(3) Uani 1 1 d . . . . .
H85A H -0.394904 -0.266462 -1.580127 0.042 Uiso 1 1 calc R . . . .
H85B H -0.396504 -0.262891 -1.404875 0.042 Uiso 1 1 calc R . . . .
C86 C -0.3670(2) -0.2832(2) -1.4660(14) 0.028(2) Uani 1 1 d . . . . .
H86A H -0.363852 -0.285836 -1.360564 0.033 Uiso 1 1 calc R . . . .
H86B H -0.381246 -0.305351 -1.509711 0.033 Uiso 1 1 calc R . . . .
C87 C -0.5447(3) -0.5347(3) -1.3919(13) 0.038(3) Uani 1 1 d . U . . .
H87A H -0.539635 -0.519929 -1.307287 0.056 Uiso 1 1 calc GR . . . .
H87B H -0.530975 -0.545093 -1.388566 0.056 Uiso 1 1 calc GR . . . .
H87C H -0.568192 -0.551841 -1.389134 0.056 Uiso 1 1 calc GR . . . .
C89 C -0.3172(4) -0.5331(3) -0.8703(12) 0.039(3) Uani 1 1 d . . . . .
H89A H -0.340568 -0.546080 -0.841625 0.058 Uiso 1 1 calc GR . . . .
H89B H -0.305497 -0.514474 -0.802397 0.058 Uiso 1 1 calc GR . . . .
H89C H -0.307157 -0.547182 -0.867243 0.058 Uiso 1 1 calc GR . . . .
C91 C -0.4095(3) -0.3395(3) -0.9606(12) 0.019(2) Uani 1 1 d . . . . .
H91 H -0.413990 -0.341369 -0.852774 0.023 Uiso 1 1 calc R . . . .
C92 C -0.3677(3) -0.0953(3) -1.0346(14) 0.031(3) Uani 1 1 d . U . . .
H92A H -0.381900 -0.087261 -0.992293 0.038 Uiso 1 1 calc R . . . .
H92B H -0.365243 -0.090691 -1.141184 0.038 Uiso 1 1 calc R . . . .
C94 C -0.0707(3) -0.4548(3) -1.5399(14) 0.030(2) Uani 1 1 d . . . . .
H94A H -0.071051 -0.462547 -1.641220 0.036 Uiso 1 1 calc R . . . .
H94B H -0.063322 -0.466383 -1.472011 0.036 Uiso 1 1 calc R . . . .
C97 C -0.5321(3) 0.0059(4) -0.8931(13) 0.046(3) Uani 1 1 d . U . . .
H97A H -0.514356 0.029053 -0.887895 0.069 Uiso 1 1 calc GR . . . .
H97B H -0.529928 -0.006506 -0.811087 0.069 Uiso 1 1 calc GR . . . .
H97C H -0.553643 0.004733 -0.887545 0.069 Uiso 1 1 calc GR . . . .
C102 C -0.3538(3) -0.1648(3) -0.9969(13) 0.030(3) Uani 1 1 d . U . . .
C105 C -0.1209(3) -0.3266(4) -1.3426(11) 0.043(3) Uani 1 1 d . . . . .
H10A H -0.133124 -0.338828 -1.255211 0.064 Uiso 1 1 calc GR . . . .
H10B H -0.115552 -0.303510 -1.334972 0.064 Uiso 1 1 calc GR . . . .
H10C H -0.100294 -0.327441 -1.350174 0.064 Uiso 1 1 calc GR . . . .
C106 C -0.4663(2) -0.3088(2) -1.0322(11) 0.021(2) Uani 1 1 d . . . . .
C107 C -0.1753(3) 0.0122(3) -1.5247(13) 0.024(2) Uani 1 1 d . . . . .
C108 C -0.2067(3) -0.3425(4) -1.1163(13) 0.049(4) Uani 1 1 d . U . . .
H10D H -0.201291 -0.351398 -1.202757 0.074 Uiso 1 1 calc GR . . . .
H10E H -0.193393 -0.318281 -1.117013 0.074 Uiso 1 1 calc GR . . . .
H10F H -0.230267 -0.349354 -1.117850 0.074 Uiso 1 1 calc GR . . . .
C110 C -0.4082(3) 0.0471(3) -1.0454(17) 0.037(3) Uani 1 1 d . U . . .
H11C H -0.402548 0.060364 -0.954455 0.044 Uiso 1 1 calc R . . . .
H11D H -0.405636 0.061381 -1.130346 0.044 Uiso 1 1 calc R . . . .
C111 C -0.4448(3) -0.1012(3) -1.5231(14) 0.024(2) Uani 1 1 d . . . . .
H11E H -0.446405 -0.096072 -1.419145 0.029 Uiso 1 1 calc R . . . .
H11F H -0.461840 -0.099436 -1.580735 0.029 Uiso 1 1 calc R . . . .
C112 C -0.2187(3) -0.3928(4) -0.9794(18) 0.063(4) Uani 1 1 d . U . . .
H11G H -0.212642 -0.401056 -0.892851 0.095 Uiso 1 1 calc GR . . . .
H11H H -0.213786 -0.401410 -1.068154 0.095 Uiso 1 1 calc GR . . . .
H11I H -0.242446 -0.400258 -0.976265 0.095 Uiso 1 1 calc GR . . . .
C113 C -0.4079(3) -0.2881(3) -0.9775(15) 0.032(3) Uani 1 1 d . . . . .
H11J H -0.408268 -0.281473 -0.874701 0.038 Uiso 1 1 calc R . . . .
H11K H -0.400051 -0.268311 -1.041136 0.038 Uiso 1 1 calc R . . . .
C114 C -0.3369(4) -0.1342(3) -1.3631(14) 0.043(3) Uani 1 1 d . U . . .
H11L H -0.330355 -0.141702 -1.275625 0.064 Uiso 1 1 calc GR . . . .
H11M H -0.361107 -0.146820 -1.373177 0.064 Uiso 1 1 calc GR . . . .
H11N H -0.329592 -0.110570 -1.353640 0.064 Uiso 1 1 calc GR . . . .
C115 C -0.5347(3) 0.0066(4) -1.1697(13) 0.039(3) Uani 1 1 d . U . . .
H11O H -0.527175 0.000091 -1.257241 0.058 Uiso 1 1 calc GR . . . .
H11P H -0.521951 0.030798 -1.159057 0.058 Uiso 1 1 calc GR . . . .
H11Q H -0.558276 -0.000548 -1.179516 0.058 Uiso 1 1 calc GR . . . .
C116 C -0.3359(3) -0.2113(2) -0.8589(10) 0.035(3) Uani 1 1 d . U . . .
H11R H -0.359493 -0.218185 -0.859020 0.053 Uiso 1 1 calc GR . . . .
H11S H -0.325318 -0.197873 -0.771591 0.053 Uiso 1 1 calc GR . . . .
H11T H -0.333363 -0.230952 -0.858051 0.053 Uiso 1 1 calc GR . . . .
C118 C -0.1545(3) -0.1218(3) -1.1191(15) 0.040(3) Uani 1 1 d . . . . .
H11U H -0.173298 -0.124803 -1.059116 0.060 Uiso 1 1 calc GR . . . .
H11V H -0.161795 -0.127846 -1.220836 0.060 Uiso 1 1 calc GR . . . .
H11W H -0.136848 -0.098581 -1.114848 0.060 Uiso 1 1 calc GR . . . .
C119 C -0.3873(3) 0.0308(3) -1.0628(15) 0.033(3) Uani 1 1 d . U . . .
H11X H -0.365101 0.044671 -1.018600 0.040 Uiso 1 1 calc R . . . .
H11Y H -0.384585 0.027174 -1.167526 0.040 Uiso 1 1 calc R . . . .
C120 C -0.5464(3) -0.1989(3) -1.6539(13) 0.046(3) Uani 1 1 d . U . . .
H12A H -0.533223 -0.208684 -1.687578 0.070 Uiso 1 1 calc GR . . . .
H12B H -0.542527 -0.180511 -1.718647 0.070 Uiso 1 1 calc GR . . . .
H12C H -0.569965 -0.215743 -1.655675 0.070 Uiso 1 1 calc GR . . . .
C122 C -0.2609(3) -0.0092(3) -1.5751(13) 0.026(2) Uani 1 1 d . . . . .
H122 H -0.259453 -0.010690 -1.683945 0.031 Uiso 1 1 calc R . . . .
C123 C -0.2841(4) -0.1178(3) -1.4896(19) 0.061(3) Uani 1 1 d . U . . .
H12D H -0.274197 -0.120987 -1.578279 0.091 Uiso 1 1 calc GR . . . .
H12E H -0.275581 -0.123607 -1.403283 0.091 Uiso 1 1 calc GR . . . .
H12F H -0.278431 -0.094525 -1.482845 0.091 Uiso 1 1 calc GR . . . .
C124 C -0.1235(3) -0.3269(4) -1.6123(11) 0.045(3) Uani 1 1 d . . . . .
H12G H -0.111992 -0.302712 -1.603911 0.068 Uiso 1 1 calc GR . . . .
H12H H -0.139254 -0.333999 -1.693874 0.068 Uiso 1 1 calc GR . . . .
H12I H -0.107253 -0.334040 -1.630484 0.068 Uiso 1 1 calc GR . . . .
C125 C -0.5537(4) -0.0459(4) -1.036(2) 0.064(4) Uani 1 1 d . U . . .
H12J H -0.549916 -0.055841 -0.948674 0.096 Uiso 1 1 calc GR . . . .
H12K H -0.550608 -0.056085 -1.124026 0.096 Uiso 1 1 calc GR . . . .
H12L H -0.576417 -0.049770 -1.034036 0.096 Uiso 1 1 calc GR . . . .
C126 C -0.2081(3) 0.0400(3) -1.560(2) 0.048(4) Uani 1 1 d . . . . .
H12M H -0.201659 0.047310 -1.662822 0.057 Uiso 1 1 calc R . . . .
H12N H -0.194275 0.058529 -1.493327 0.057 Uiso 1 1 calc R . . . .
C127 C -0.2792(3) -0.5042(3) -1.0836(17) 0.043(3) Uani 1 1 d . U . . .
H12O H -0.263633 -0.488149 -1.012810 0.065 Uiso 1 1 calc GR . . . .
H12P H -0.277971 -0.492854 -1.175841 0.065 Uiso 1 1 calc GR . . . .
H12Q H -0.273460 -0.521451 -1.101426 0.065 Uiso 1 1 calc GR . . . .
C128 C -0.3819(3) -0.1319(3) -1.0052(14) 0.035(3) Uani 1 1 d . . . . .
H12R H -0.394444 -0.138527 -0.911960 0.042 Uiso 1 1 calc R . . . .
H12S H -0.396616 -0.145494 -1.085988 0.042 Uiso 1 1 calc R . . . .
C129 C -0.4771(3) -0.1626(3) -1.5348(14) 0.029(2) Uani 1 1 d . U . . .
C130 C -0.1285(3) -0.1340(3) -0.9064(12) 0.037(3) Uani 1 1 d . . . . .
H13A H -0.120356 -0.148591 -0.872791 0.055 Uiso 1 1 calc GR . . . .
H13B H -0.146258 -0.136284 -0.841181 0.055 Uiso 1 1 calc GR . . . .
H13C H -0.110319 -0.110955 -0.905088 0.055 Uiso 1 1 calc GR . . . .
C131 C -0.3909(3) -0.0945(3) -1.5400(19) 0.042(3) Uani 1 1 d . . . . .
H13D H -0.384237 -0.090204 -1.435727 0.051 Uiso 1 1 calc R . . . .
H13E H -0.370945 -0.087211 -1.601586 0.051 Uiso 1 1 calc R . . . .
C132 C -0.3548(3) -0.2001(3) -1.4914(13) 0.031(3) Uani 1 1 d . . . . .
C133 C -0.5359(3) -0.3338(3) -0.9239(12) 0.037(3) Uani 1 1 d . U . . .
H13F H -0.519169 -0.312458 -0.883223 0.055 Uiso 1 1 calc GR . . . .
H13G H -0.537431 -0.351797 -0.862248 0.055 Uiso 1 1 calc GR . . . .
H13H H -0.557394 -0.334918 -0.926671 0.055 Uiso 1 1 calc GR . . . .
C134 C -0.5491(3) -0.3719(3) -1.1432(14) 0.038(3) Uani 1 1 d . U . . .
H13I H -0.545586 -0.388474 -1.092783 0.057 Uiso 1 1 calc GR . . . .
H13J H -0.544414 -0.371881 -1.247859 0.057 Uiso 1 1 calc GR . . . .
H13K H -0.572176 -0.377366 -1.130192 0.057 Uiso 1 1 calc GR . . . .
C135 C -0.2817(3) -0.1761(3) -0.9924(15) 0.046(3) Uani 1 1 d . U . . .
H13L H -0.272945 -0.164733 -0.898869 0.069 Uiso 1 1 calc GR . . . .
H13M H -0.271650 -0.160258 -1.073062 0.069 Uiso 1 1 calc GR . . . .
H13N H -0.276462 -0.193903 -1.003372 0.069 Uiso 1 1 calc GR . . . .
C137 C -0.2076(3) -0.2625(2) -0.9636(15) 0.034(3) Uani 1 1 d . . . . .
H13O H -0.200278 -0.262276 -0.861412 0.041 Uiso 1 1 calc R . . . .
H13P H -0.195155 -0.269385 -1.029312 0.041 Uiso 1 1 calc R . . . .
C139 C -0.5400(3) -0.2123(3) -1.3915(14) 0.052(4) Uani 1 1 d . U . . .
H13Q H -0.529804 -0.201934 -1.297713 0.078 Uiso 1 1 calc GR . . . .
H13R H -0.528964 -0.223855 -1.430861 0.078 Uiso 1 1 calc GR . . . .
H13S H -0.563550 -0.228139 -1.376545 0.078 Uiso 1 1 calc GR . . . .
C141 C -0.5440(4) -0.5361(3) -1.6714(15) 0.049(3) Uani 1 1 d . U . . .
H14A H -0.531512 -0.547831 -1.665176 0.074 Uiso 1 1 calc GR . . . .
H14B H -0.536732 -0.521625 -1.757766 0.074 Uiso 1 1 calc GR . . . .
H14C H -0.567700 -0.552171 -1.679759 0.074 Uiso 1 1 calc GR . . . .
C142 C -0.2448(3) 0.0272(3) -1.5355(16) 0.037(3) Uani 1 1 d . . . . .
H14D H -0.249278 0.030119 -1.432076 0.044 Uiso 1 1 calc R . . . .
H14E H -0.252908 0.038827 -1.599647 0.044 Uiso 1 1 calc R . . . .
C143 C -0.3212(3) -0.1396(3) -1.4963(13) 0.035(2) Uani 1 1 d . U . . .
C145 C -0.1713(2) -0.2035(2) -1.0151(12) 0.023(2) Uani 1 1 d . . . . .
C147 C -0.3342(4) -0.2102(3) -1.1348(11) 0.038(3) Uani 1 1 d . U . . .
H14F H -0.324380 -0.195534 -1.219423 0.057 Uiso 1 1 calc GR . . . .
H14G H -0.358235 -0.219134 -1.134689 0.057 Uiso 1 1 calc GR . . . .
H14H H -0.329560 -0.228491 -1.140767 0.057 Uiso 1 1 calc GR . . . .
C148 C -0.1634(3) -0.0558(3) -1.4233(16) 0.048(3) Uani 1 1 d . U . . .
H14I H -0.180130 -0.071569 -1.491573 0.072 Uiso 1 1 calc GR . . . .
H14J H -0.173676 -0.057623 -1.327416 0.072 Uiso 1 1 calc GR . . . .
H14K H -0.145478 -0.060859 -1.413269 0.072 Uiso 1 1 calc GR . . . .
C149 C -0.1365(3) -0.0184(3) -1.6336(13) 0.041(3) Uani 1 1 d . U . . .
H14L H -0.131431 0.003050 -1.674212 0.061 Uiso 1 1 calc GR . . . .
H14M H -0.153032 -0.036256 -1.695227 0.061 Uiso 1 1 calc GR . . . .
H14N H -0.116219 -0.019902 -1.630852 0.061 Uiso 1 1 calc GR . . . .
C150 C -0.5558(3) -0.1702(3) -1.4456(16) 0.051(3) Uani 1 1 d . U . . .
H15A H -0.550625 -0.150986 -1.507127 0.076 Uiso 1 1 calc GR . . . .
H15B H -0.549910 -0.163047 -1.343645 0.076 Uiso 1 1 calc GR . . . .
H15C H -0.579525 -0.186326 -1.451963 0.076 Uiso 1 1 calc GR . . . .
C152 C -0.4168(3) -0.1317(3) -1.5667(19) 0.045(4) Uani 1 1 d . . . . .
H15D H -0.415634 -0.138263 -1.668742 0.054 Uiso 1 1 calc R . . . .
H15E H -0.413158 -0.146164 -1.498724 0.054 Uiso 1 1 calc R . . . .
C155 C -0.1234(3) 0.0034(4) -1.3778(15) 0.050(3) Uani 1 1 d . U . . .
H15F H -0.105358 -0.001519 -1.368049 0.076 Uiso 1 1 calc GR . . . .
H15G H -0.133092 0.002333 -1.281289 0.076 Uiso 1 1 calc GR . . . .
H15H H -0.114633 0.025733 -1.418611 0.076 Uiso 1 1 calc GR . . . .
C157 C -0.1172(2) -0.1444(3) -1.1651(11) 0.031(2) Uani 1 1 d . . . . .
H15I H -0.128797 -0.157659 -1.251362 0.047 Uiso 1 1 calc GR . . . .
H15J H -0.105618 -0.154337 -1.115468 0.047 Uiso 1 1 calc GR . . . .
H15K H -0.101096 -0.121785 -1.195668 0.047 Uiso 1 1 calc GR . . . .
C158 C -0.3367(4) -0.1357(3) -1.6384(14) 0.047(2) Uani 1 1 d . U . . .
H15L H -0.360813 -0.150446 -1.635329 0.070 Uiso 1 1 calc GR . . . .
H15M H -0.327574 -0.141482 -1.722622 0.070 Uiso 1 1 calc GR . . . .
H15N H -0.331712 -0.112694 -1.647840 0.070 Uiso 1 1 calc GR . . . .
C160 C -0.5244(3) -0.3107(3) -1.1805(12) 0.034(2) Uani 1 1 d . U . . .
H16A H -0.515599 -0.312134 -1.275964 0.051 Uiso 1 1 calc GR . . . .
H16B H -0.509922 -0.288769 -1.137615 0.051 Uiso 1 1 calc GR . . . .
H16C H -0.546724 -0.313934 -1.193068 0.051 Uiso 1 1 calc GR . . . .
Ag11 Ag -0.666667 -0.333333 -1.03502(16) 0.0185(3) Uani 1 3 d S T P . .
Ag14 Ag -0.666667 -0.333333 -1.54447(16) 0.0188(3) Uani 1 3 d S T P . .
Ag17 Ag -0.63452(2) -0.35887(2) -1.28738(9) 0.0221(2) Uani 1 1 d . . . . .
S10 S -0.63024(7) -0.35758(7) -1.0279(3) 0.0212(6) Uani 1 1 d . . . . .
S15 S -0.63628(6) -0.36377(7) -1.5467(4) 0.0213(6) Uani 1 1 d . . . . .
O18 O -0.51622(18) -0.3535(2) -1.5434(8) 0.0273(16) Uani 1 1 d . . . . .
O27 O -0.62986(17) -0.47254(16) -1.0223(8) 0.0253(14) Uani 1 1 d . . . . .
O33 O -0.48241(18) -0.2982(2) -1.5797(10) 0.0403(19) Uani 1 1 d . . . . .
O37 O -0.6859(2) -0.51062(17) -1.0195(9) 0.0365(18) Uani 1 1 d . . . . .
N11 N -0.53824(19) -0.3214(2) -1.5726(9) 0.0214(17) Uani 1 1 d . . . . .
N17 N -0.6658(2) -0.45496(19) -1.0085(9) 0.0212(17) Uani 1 1 d . . . . .
C16 C -0.5938(2) -0.3365(2) -1.6045(11) 0.018(2) Uani 1 1 d . U . . .
H16 H -0.593608 -0.335359 -1.713967 0.022 Uiso 1 1 calc R . . . .
C20 C -0.6382(2) -0.4201(2) -1.0118(12) 0.023(2) Uani 1 1 d . . . . .
H20A H -0.627840 -0.414041 -1.109990 0.028 Uiso 1 1 calc R . . . .
H20B H -0.621055 -0.416314 -0.938077 0.028 Uiso 1 1 calc R . . . .
C48 C -0.5753(3) -0.3014(3) -1.5469(14) 0.031(3) Uani 1 1 d . . . . .
H48A H -0.578568 -0.300789 -1.440024 0.037 Uiso 1 1 calc R . . . .
H48B H -0.582460 -0.287226 -1.597088 0.037 Uiso 1 1 calc R . . . .
C55 C -0.6898(3) -0.4214(2) -1.0409(13) 0.026(2) Uani 1 1 d . . . . .
H55A H -0.689443 -0.417305 -1.147582 0.032 Uiso 1 1 calc R . . . .
H55B H -0.705842 -0.416339 -0.993230 0.032 Uiso 1 1 calc R . . . .
C69 C -0.6982(2) -0.4572(2) -1.0094(13) 0.025(2) Uani 1 1 d . . . . .
H69A H -0.709341 -0.464854 -0.913414 0.031 Uiso 1 1 calc R . . . .
H69B H -0.712562 -0.472467 -1.086856 0.031 Uiso 1 1 calc R . . . .
C72 C -0.5710(2) -0.3503(2) -1.5586(11) 0.021(2) Uani 1 1 d . . . . .
H72A H -0.575404 -0.358603 -1.456513 0.025 Uiso 1 1 calc R . . . .
H72B H -0.573684 -0.368336 -1.624737 0.025 Uiso 1 1 calc R . . . .
C74 C -0.6556(2) -0.4012(2) -0.9746(12) 0.022(2) Uani 1 1 d . . . . .
H74 H -0.658286 -0.401913 -0.865735 0.027 Uiso 1 1 calc R . . . .
C88 C -0.5099(2) -0.3224(3) -1.5690(11) 0.026(2) Uani 1 1 d . . . . .
C93 C -0.6626(2) -0.4821(2) -1.0185(11) 0.020(2) Uani 1 1 d . . . . .
C100 C -0.6308(3) -0.5175(3) -0.8782(12) 0.038(3) Uani 1 1 d . U . . .
H10G H -0.655093 -0.530091 -0.873047 0.057 Uiso 1 1 calc GR . . . .
H10H H -0.622108 -0.501931 -0.796044 0.057 Uiso 1 1 calc GR . . . .
H10I H -0.622218 -0.532861 -0.872847 0.057 Uiso 1 1 calc GR . . . .
C104 C -0.6203(3) -0.4989(3) -1.0191(13) 0.031(2) Uani 1 1 d . . . . .
C121 C -0.4901(3) -0.3621(3) -1.5422(12) 0.036(3) Uani 1 1 d . U . . .
C136 C -0.4654(4) -0.3428(4) -1.4210(14) 0.058(4) Uani 1 1 d . U . . .
H13V H -0.477388 -0.343651 -1.331508 0.087 Uiso 1 1 calc GR . . . .
H13W H -0.451358 -0.319725 -1.451512 0.087 Uiso 1 1 calc GR . . . .
H13X H -0.451499 -0.352747 -1.402093 0.087 Uiso 1 1 calc GR . . . .
C138 C -0.5387(2) -0.2902(3) -1.5829(13) 0.026(2) Uani 1 1 d . . . . .
H13Y H -0.532652 -0.280615 -1.682529 0.031 Uiso 1 1 calc R . . . .
H H -0.523435 -0.273756 -1.510787 0.031 Uiso 1 1 calc R . . . .
C146 C -0.4735(3) -0.3549(4) -1.6912(14) 0.051(4) Uani 1 1 d . U . . .
H14O H -0.458465 -0.331000 -1.701525 0.076 Uiso 1 1 calc GR . . . .
H14P H -0.490451 -0.362566 -1.768040 0.076 Uiso 1 1 calc GR . . . .
H14Q H -0.460936 -0.366512 -1.700224 0.076 Uiso 1 1 calc GR . . . .
C151 C -0.5086(4) -0.3986(4) -1.5095(19) 0.058(4) Uani 1 1 d . U . . .
H15R H -0.525202 -0.410238 -1.586006 0.086 Uiso 1 1 calc GR . . . .
H15S H -0.519689 -0.402392 -1.414285 0.086 Uiso 1 1 calc GR . . . .
H15T H -0.493038 -0.406919 -1.506778 0.086 Uiso 1 1 calc GR . . . .
C159 C -0.6336(3) -0.5204(3) -1.1536(11) 0.033(2) Uani 1 1 d . U . . .
H15U H -0.627997 -0.506404 -1.240990 0.050 Uiso 1 1 calc GR . . . .
H15V H -0.657781 -0.534248 -1.145944 0.050 Uiso 1 1 calc GR . . . .
H15W H -0.623782 -0.534671 -1.161295 0.050 Uiso 1 1 calc GR . . . .
C161 C -0.5827(3) -0.4769(3) -1.0296(13) 0.041(3) Uani 1 1 d . U . . .
H16D H -0.574584 -0.461612 -0.946274 0.062 Uiso 1 1 calc GR . . . .
H16E H -0.576900 -0.464272 -1.121186 0.062 Uiso 1 1 calc GR . . . .
H16F H -0.572407 -0.490855 -1.027969 0.062 Uiso 1 1 calc GR . . . .
Ag16 Ag 0.000000 0.000000 -1.01590(18) 0.0183(3) Uani 1 3 d S T P . .
Ag18 Ag 0.000000 0.000000 -1.52490(18) 0.0183(3) Uani 1 3 d S T P . .
Ag19 Ag -0.05763(2) -0.03333(2) -1.26855(10) 0.02149(19) Uani 1 1 d . . . . .
S9 S -0.06062(6) -0.03760(7) -1.0093(3) 0.0185(5) Uani 1 1 d . . . . .
S18 S -0.06091(6) -0.03160(7) -1.5266(4) 0.0196(6) Uani 1 1 d . . . . .
O20 O -0.17750(15) -0.04066(17) -1.0059(8) 0.0264(15) Uani 1 1 d . . . . .
O29 O -0.16845(18) -0.1524(2) -1.5283(9) 0.0306(18) Uani 1 1 d . . . . .
O34 O -0.1461(2) -0.18611(18) -1.5621(10) 0.043(2) Uani 1 1 d . . . . .
O35 O -0.16034(19) 0.0149(2) -1.0041(9) 0.0346(18) Uani 1 1 d . . . . .
N10 N -0.1142(2) -0.1297(2) -1.5532(10) 0.0248(19) Uani 1 1 d . . . . .
N14 N -0.12384(18) -0.0039(2) -0.9921(9) 0.0206(16) Uani 1 1 d . . . . .
C22 C -0.0577(3) -0.0922(3) -1.5270(13) 0.026(2) Uani 1 1 d . . . . .
H22A H -0.036263 -0.084837 -1.576663 0.031 Uiso 1 1 calc R . . . .
H22B H -0.053927 -0.088568 -1.420133 0.031 Uiso 1 1 calc R . . . .
C38 C -0.1117(3) -0.0974(2) -1.5422(12) 0.023(2) Uani 1 1 d . U . . .
H38C H -0.115863 -0.092826 -1.440868 0.027 Uiso 1 1 calc R . . . .
H38D H -0.127403 -0.095632 -1.609627 0.027 Uiso 1 1 calc R . . . .
C40 C -0.1161(2) -0.0311(2) -0.9930(11) 0.0201(19) Uani 1 1 d . . . . .
H40C H -0.120312 -0.041709 -1.090575 0.024 Uiso 1 1 calc R . . . .
H40D H -0.129295 -0.048068 -0.918535 0.024 Uiso 1 1 calc R . . . .
C57 C -0.0752(2) -0.0739(2) -1.5886(12) 0.019(2) Uani 1 1 d . . . . .
H57 H -0.073968 -0.073868 -1.698014 0.023 Uiso 1 1 calc R . . . .
C62 C -0.2131(2) -0.0508(3) -1.0010(12) 0.029(2) Uani 1 1 d . . . . .
C76 C -0.0665(2) 0.0207(3) -1.0243(13) 0.028(2) Uani 1 1 d . . . . .
H76A H -0.063229 0.020044 -1.131200 0.034 Uiso 1 1 calc R . . . .
H76B H -0.045344 0.037154 -0.978718 0.034 Uiso 1 1 calc R . . . .
C95 C -0.2033(3) -0.1804(3) -1.5249(10) 0.036(3) Uani 1 1 d D U . . .
C96 C -0.1548(3) -0.0084(3) -1.0011(11) 0.023(2) Uani 1 1 d . . . . .
C99 C -0.0943(3) 0.0288(3) -0.9914(13) 0.029(2) Uani 1 1 d . . . . .
H99A H -0.090998 0.039666 -0.894761 0.035 Uiso 1 1 calc R . . . .
H99B H -0.095441 0.043207 -1.068059 0.035 Uiso 1 1 calc R . . . .
C101 C -0.0797(2) -0.0133(2) -0.9559(11) 0.020(2) Uani 1 1 d . . . . .
H101 H -0.077546 -0.010373 -0.847149 0.024 Uiso 1 1 calc R . . . .
C103 C -0.2213(3) -0.0397(4) -0.8625(13) 0.045(3) Uani 1 1 d . . . . .
H10J H -0.207849 -0.015557 -0.854643 0.067 Uiso 1 1 calc GR . . . .
H10K H -0.216666 -0.049992 -0.778980 0.067 Uiso 1 1 calc GR . . . .
H10L H -0.244859 -0.046303 -0.862420 0.067 Uiso 1 1 calc GR . . . .
C109 C -0.1436(3) -0.1591(2) -1.5484(11) 0.024(2) Uani 1 1 d . . . . .
C117 C -0.2127(3) -0.1974(4) -1.6755(12) 0.055(4) Uani 1 1 d D U . . .
H11Z H -0.205508 -0.213824 -1.681648 0.082 Uiso 1 1 calc GR . . . .
HA H -0.201793 -0.180725 -1.752608 0.082 Uiso 1 1 calc GR . . . .
HB H -0.236776 -0.208374 -1.688320 0.082 Uiso 1 1 calc GR . . . .
C140 C -0.2226(3) -0.0381(3) -1.1396(12) 0.037(3) Uani 1 1 d . . . . .
H14R H -0.214301 -0.043865 -1.227003 0.056 Uiso 1 1 calc GR . . . .
H14S H -0.212651 -0.013972 -1.133884 0.056 Uiso 1 1 calc GR . . . .
H14T H -0.246738 -0.048417 -1.145580 0.056 Uiso 1 1 calc GR . . . .
C144 C -0.0827(3) -0.1285(3) -1.5618(14) 0.031(2) Uani 1 1 d . . . . .
H14U H -0.078910 -0.134532 -1.661031 0.037 Uiso 1 1 calc R . . . .
H14V H -0.081271 -0.143492 -1.489142 0.037 Uiso 1 1 calc R . . . .
C154 C -0.2084(3) -0.2040(3) -1.4011(13) 0.053(3) Uani 1 1 d D U . . .
H15X H -0.199481 -0.191468 -1.310143 0.079 Uiso 1 1 calc GR . . . .
H15Y H -0.197010 -0.216305 -1.423773 0.079 Uiso 1 1 calc GR . . . .
HC H -0.232195 -0.219593 -1.388978 0.079 Uiso 1 1 calc GR . . . .
C156 C -0.2219(4) -0.1616(4) -1.498(2) 0.068(5) Uani 1 1 d D U . . .
H15Z H -0.217681 -0.146316 -1.579838 0.101 Uiso 1 1 calc GR . . . .
HD H -0.214137 -0.149063 -1.406691 0.101 Uiso 1 1 calc GR . . . .
HE H -0.245671 -0.177408 -1.491449 0.101 Uiso 1 1 calc GR . . . .
C162 C -0.2286(2) -0.0886(3) -1.0101(15) 0.044(3) Uani 1 1 d . . . . .
H16G H -0.221972 -0.096538 -0.924250 0.066 Uiso 1 1 calc GR . . . .
H16H H -0.220962 -0.094389 -1.099371 0.066 Uiso 1 1 calc GR . . . .
H16I H -0.252827 -0.099017 -1.012378 0.066 Uiso 1 1 calc GR . . . .
O45 O -0.4201(10) -0.5451(11) -1.369(3) 0.054(3) Uani 0.226(17) 1 d D U . A 1
H45 H -0.402681 -0.537924 -1.422156 0.081 Uiso 0.226(17) 1 d R . . A 1
O1AA O -0.4494(3) -0.5437(4) -1.3030(15) 0.054(3) Uani 0.774(17) 1 d D U . A 2
H1AA H -0.462(2) -0.539(3) -1.249(3) 0.081 Uiso 0.774(17) 1 d DR . . A 2
C0AA C -0.4318(5) -0.5535(5) -1.218(2) 0.078(4) Uani 1 1 d D U . . .
H0AA H -0.440609 -0.539305 -1.193915 0.116 Uiso 0.226(17) 1 d R . . A 1
H0AB H -0.412969 -0.547995 -1.156565 0.116 Uiso 0.226(17) 1 d R . . A 1
H0AC H -0.448449 -0.576145 -1.201995 0.116 Uiso 0.226(17) 1 d R . . A 1
H0AD H -0.410689 -0.545605 -1.264515 0.116 Uiso 0.774(17) 1 d R . . A 2
H0AE H -0.442049 -0.576925 -1.202165 0.116 Uiso 0.774(17) 1 d R . . A 2
H0AF H -0.428619 -0.542455 -1.125315 0.116 Uiso 0.774(17) 1 d R . . A 2
O0AA O -0.4596(3) -0.2156(3) -1.1423(15) 0.043(3) Uani 0.565(14) 1 d D U . B 1
H0AG H -0.469(3) -0.204(3) -1.141(3) 0.064 Uiso 0.565(14) 1 d DR . . B 1
C1AA C -0.4561(7) -0.2342(8) -1.318(3) 0.056(4) Uani 0.435(14) 1 d D U . B 2
H1AB H -0.450873 -0.219647 -1.400645 0.083 Uiso 0.435(14) 1 d R . . B 2
H1AC H -0.475483 -0.236557 -1.269845 0.083 Uiso 0.435(14) 1 d R . . B 2
H1AD H -0.460273 -0.255517 -1.351054 0.083 Uiso 0.435(14) 1 d R . . B 2
O3AA O -0.0854(5) -0.2085(5) -1.1250(17) 0.046(4) Uani 0.433(15) 1 d D U . C 1
H3AA H -0.0676(10) -0.209(2) -1.137(4) 0.069 Uiso 0.433(15) 1 d DR . . C 1
C2AA C -0.0871(6) -0.2133(5) -1.280(2) 0.055(4) Uani 0.567(15) 1 d D U . C 2
H2AA H -0.075195 -0.194445 -1.217149 0.082 Uiso 0.567(15) 1 d R . . C 2
H2AB H -0.096425 -0.207455 -1.360529 0.082 Uiso 0.567(15) 1 d R . . C 2
H2AC H -0.072325 -0.220355 -1.316459 0.082 Uiso 0.567(15) 1 d R . . C 2
O4AA O -0.1133(4) -0.2399(3) -1.1980(13) 0.042(3) Uani 0.567(15) 1 d D U . C 2
H4AA H -0.127(2) -0.254(2) -1.260(4) 0.063 Uiso 0.567(15) 1 d DR . . C 2
C3AA C -0.1015(8) -0.2145(10) -1.269(2) 0.051(5) Uani 0.433(15) 1 d D U . C 1
H3AB H -0.125525 -0.225063 -1.256551 0.076 Uiso 0.433(15) 1 calc GR . . C 1
H3AC H -0.096304 -0.229154 -1.326815 0.076 Uiso 0.433(15) 1 calc GR . . C 1
H3AD H -0.093297 -0.193425 -1.321040 0.076 Uiso 0.433(15) 1 calc GR . . C 1
O2AA O -0.4286(5) -0.2157(5) -1.219(2) 0.050(3) Uani 0.435(14) 1 d D U . B 2
H2AD H -0.415(2) -0.198(2) -1.262(4) 0.075 Uiso 0.435(14) 1 d DR . . B 2
C4AA C -0.4483(7) -0.2147(8) -1.288(2) 0.064(5) Uani 0.565(14) 1 d D U . B 1
H4AB H -0.466766 -0.230557 -1.348887 0.096 Uiso 0.565(14) 1 calc GR . . B 1
H4AC H -0.430754 -0.220453 -1.287527 0.096 Uiso 0.565(14) 1 calc GR . . B 1
H4AD H -0.439531 -0.192308 -1.328157 0.096 Uiso 0.565(14) 1 calc GR . . B 1


_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 3.2870(14) 3_545 ?
Ag1 Ag3 3.2871(14) . ?
Ag1 Ag3 3.2872(14) 2_445 ?
Ag1 S7 2.461(3) 3_545 ?
Ag1 S7 2.461(3) . ?
Ag1 S7 2.461(3) 2_445 ?
Ag3 Ag5 3.3111(14) . ?
Ag3 S1 2.368(4) . ?
Ag3 S7 2.366(3) . ?
Ag5 S1 2.464(3) 3_545 ?
Ag5 S1 2.464(3) 2_445 ?
Ag5 S1 2.464(3) . ?
S1 C3 1.837(11) . ?
S7 C44 1.826(11) . ?
O3 C28 1.331(13) . ?
O3 C45 1.464(12) . ?
O10 C2 1.472(13) . ?
O10 C12 1.352(15) . ?
O14 C12 1.207(15) . ?
O17 C28 1.233(13) . ?
N1 C1 1.469(13) . ?
N1 C12 1.347(15) . ?
N1 C29 1.460(14) . ?
N2 C13 1.463(13) . ?
N2 C26 1.450(12) . ?
N2 C28 1.350(13) . ?
C1 C3 1.488(15) . ?
C2 C67 1.524(16) . ?
C2 C70 1.480(16) . ?
C2 C98 1.516(18) . ?
C3 C8 1.531(15) . ?
C6 C13 1.505(15) . ?
C6 C44 1.532(14) . ?
C8 C29 1.509(15) . ?
C26 C44 1.535(14) . ?
C45 C60 1.563(14) . ?
C45 C90 1.456(16) . ?
C45 C153 1.517(15) . ?
Ag2 Ag6 3.2538(13) . ?
Ag2 Ag7 3.3619(12) . ?
Ag2 Ag8 3.2114(12) . ?
Ag2 S2 2.483(3) . ?
Ag2 S3 2.490(3) . ?
Ag2 S4 2.484(3) . ?
Ag4 Ag6 3.3110(12) . ?
Ag4 Ag7 3.2056(12) . ?
Ag4 Ag8 3.3274(13) . ?
Ag4 S6 2.451(3) . ?
Ag4 S12 2.465(3) . ?
Ag4 S13 2.452(3) . ?
Ag6 S3 2.375(3) . ?
Ag6 S12 2.367(3) . ?
Ag7 S2 2.375(3) . ?
Ag7 S13 2.376(3) . ?
Ag8 S4 2.383(3) . ?
Ag8 S6 2.360(3) . ?
Ag9 Ag10 3.3662(12) 3 ?
Ag9 Ag12 3.2177(12) . ?
Ag9 Ag15 3.3020(13) . ?
Ag9 S14 2.483(3) . ?
Ag9 S16 2.478(3) 3 ?
Ag9 S17 2.479(3) . ?
Ag10 Ag13 3.2291(12) 2 ?
Ag10 S5 2.378(3) . ?
Ag10 S16 2.362(3) . ?
Ag12 Ag13 3.3560(13) . ?
Ag12 S8 2.383(3) . ?
Ag12 S14 2.369(4) . ?
Ag13 Ag15 3.2694(13) . ?
Ag13 S5 2.475(3) 3 ?
Ag13 S8 2.473(3) . ?
Ag13 S11 2.461(3) . ?
Ag15 S11 2.383(3) . ?
Ag15 S17 2.371(4) . ?
S2 C91 1.827(11) . ?
S3 C15 1.789(11) . ?
S4 C64 1.816(11) . ?
S5 C18 1.807(11) . ?
S6 C33 1.822(11) . ?
S8 C54 1.828(12) . ?
S11 C14 1.824(11) . ?
S12 C17 1.821(11) . ?
S13 C61 1.838(10) . ?
S14 C68 1.823(11) . ?
S16 C32 1.825(11) . ?
S17 C122 1.826(11) . ?
Na1 O19 2.305(8) . ?
Na1 O22 2.297(10) . ?
Na1 O38 2.318(8) . ?
Na1 O39 2.281(12) . ?
Na1 O0AA 2.330(13) . ?
Na1 O2AA 2.53(2) . ?
Na2 O23 2.299(8) . ?
Na2 O25 2.313(11) . ?
Na2 O36 2.341(9) . ?
Na2 O40 2.276(10) . ?
Na2 O3AA 2.328(18) . ?
Na2 O4AA 2.486(12) . ?
Na3 O5 2.330(8) 2_445 ?
Na3 O21 2.312(11) . ?
Na3 O41 2.342(9) . ?
Na3 O42 2.233(10) . ?
Na3 O45 2.45(4) . ?
Na3 O1AA 2.503(14) . ?
O1 C4 1.366(12) . ?
O1 C19 1.484(12) . ?
O2 C10 1.375(15) . ?
O2 C27 1.482(12) . ?
O4 C10 1.221(15) . ?
O5 C4 1.226(12) . ?
O6 C9 1.337(13) . ?
O6 C52 1.491(11) . ?
O7 C53 1.496(15) . ?
O7 C66 1.339(16) . ?
O8 C23 1.487(11) . ?
O8 C46 1.343(12) . ?
O9 C24 1.490(12) . ?
O9 C102 1.345(14) . ?
O11 C36 1.457(12) . ?
O11 C58 1.364(16) . ?
O12 C75 1.485(12) . ?
O12 C107 1.345(13) . ?
O13 C132 1.338(14) . ?
O13 C143 1.490(12) . ?
O15 C77 1.479(12) . ?
O15 C129 1.328(14) . ?
O16 C63 1.477(11) . ?
O16 C106 1.338(12) . ?
O19 C106 1.213(12) . ?
O21 C66 1.217(15) . ?
O22 C102 1.222(15) . ?
O23 C145 1.235(11) . ?
O24 C83 1.498(11) . ?
O24 C145 1.343(12) . ?
O25 C58 1.212(15) . ?
O26 C107 1.212(13) . ?
O28 C129 1.219(14) . ?
O30 C9 1.239(13) . ?
O31 C46 1.207(13) . ?
O32 C132 1.230(15) . ?
N3 C4 1.339(13) . ?
N3 C30 1.445(12) . ?
N3 C94 1.480(13) . ?
N4 C7 1.452(14) . ?
N4 C10 1.321(17) . ?
N4 C47 1.507(15) . ?
N5 C5 1.452(13) . ?
N5 C46 1.365(12) . ?
N5 C71 1.460(13) . ?
N6 C25 1.446(15) . ?
N6 C39 1.444(15) . ?
N6 C66 1.363(14) . ?
N7 C49 1.460(13) . ?
N7 C58 1.354(14) . ?
N7 C73 1.466(16) . ?
N8 C78 1.471(14) . ?
N8 C102 1.345(15) . ?
N8 C128 1.486(16) . ?
N9 C41 1.467(13) . ?
N9 C85 1.463(14) . ?
N9 C132 1.343(14) . ?
N12 C9 1.338(13) . ?
N12 C11 1.488(14) . ?
N12 C110 1.485(14) . ?
N13 C65 1.471(12) . ?
N13 C137 1.446(12) . ?
N13 C145 1.360(12) . ?
N15 C111 1.450(15) . ?
N15 C129 1.349(14) . ?
N15 C152 1.439(14) . ?
N16 C51 1.491(13) . ?
N16 C106 1.346(12) . ?
N16 C113 1.450(13) . ?
N18 C34 1.465(14) . ?
N18 C107 1.360(14) . ?
N18 C126 1.463(15) . ?
C5 C33 1.550(13) . ?
C7 C64 1.492(14) . ?
C11 C54 1.505(15) . ?
C14 C78 1.485(15) . ?
C14 C92 1.527(17) . ?
C15 C21 1.571(15) . ?
C15 C65 1.516(16) . ?
C17 C41 1.532(13) . ?
C17 C86 1.513(15) . ?
C18 C37 1.552(16) . ?
C18 C49 1.508(15) . ?
C19 C31 1.506(16) . ?
C19 C43 1.519(15) . ?
C19 C80 1.496(17) . ?
C21 C137 1.504(14) . ?
C23 C82 1.523(17) . ?
C23 C105 1.484(14) . ?
C23 C124 1.476(15) . ?
C24 C116 1.521(14) . ?
C24 C135 1.538(16) . ?
C24 C147 1.508(15) . ?
C25 C56 1.544(14) . ?
C27 C42 1.539(17) . ?
C27 C89 1.488(16) . ?
C27 C127 1.547(17) . ?
C30 C32 1.541(14) . ?
C32 C81 1.505(14) . ?
C33 C50 1.516(16) . ?
C34 C122 1.532(15) . ?
C35 C47 1.535(18) . ?
C35 C64 1.537(16) . ?
C36 C59 1.487(18) . ?
C36 C108 1.491(17) . ?
C36 C112 1.50(2) . ?
C37 C73 1.506(14) . ?
C39 C61 1.558(14) . ?
C50 C71 1.522(14) . ?
C51 C91 1.514(14) . ?
C52 C97 1.525(16) . ?
C52 C115 1.496(15) . ?
C52 C125 1.505(18) . ?
C53 C84 1.51(2) . ?
C53 C87 1.511(17) . ?
C53 C141 1.551(18) . ?
C54 C119 1.531(17) . ?
C56 C61 1.506(16) . ?
C63 C133 1.520(15) . ?
C63 C134 1.536(15) . ?
C63 C160 1.533(15) . ?
C68 C111 1.541(14) . ?
C68 C131 1.484(17) . ?
C75 C148 1.474(17) . ?
C75 C149 1.511(15) . ?
C75 C155 1.528(18) . ?
C77 C120 1.525(16) . ?
C77 C139 1.503(19) . ?
C77 C150 1.505(18) . ?
C79 C91 1.513(16) . ?
C79 C113 1.519(14) . ?
C81 C94 1.532(14) . ?
C83 C118 1.496(16) . ?
C83 C130 1.522(14) . ?
C83 C157 1.504(16) . ?
C85 C86 1.525(14) . ?
C92 C128 1.511(16) . ?
C110 C119 1.512(15) . ?
C114 C143 1.503(16) . ?
C122 C142 1.517(17) . ?
C123 C143 1.51(2) . ?
C126 C142 1.522(16) . ?
C131 C152 1.559(16) . ?
C143 C158 1.539(18) . ?
Ag11 Ag17 3.2779(13) . ?
Ag11 Ag17 3.2779(13) 3_445 ?
Ag11 Ag17 3.2779(13) 2_455 ?
Ag11 S10 2.466(3) . ?
Ag11 S10 2.466(3) 2_455 ?
Ag11 S10 2.466(3) 3_445 ?
Ag14 Ag17 3.3083(13) 3_445 ?
Ag14 Ag17 3.3083(13) 2_455 ?
Ag14 Ag17 3.3084(13) . ?
Ag14 S15 2.455(3) 2_455 ?
Ag14 S15 2.455(3) 3_445 ?
Ag14 S15 2.455(3) . ?
Ag17 S10 2.375(3) . ?
Ag17 S15 2.374(3) . ?
S10 C74 1.834(10) . ?
S15 C16 1.817(10) . ?
O18 C88 1.348(13) . ?
O18 C121 1.460(12) . ?
O27 C93 1.359(11) . ?
O27 C104 1.499(11) . ?
O33 C88 1.215(12) . ?
O37 C93 1.224(12) . ?
N11 C72 1.449(12) . ?
N11 C88 1.344(12) . ?
N11 C138 1.469(13) . ?
N17 C20 1.484(12) . ?
N17 C69 1.458(12) . ?
N17 C93 1.351(12) . ?
C16 C48 1.512(14) . ?
C16 C72 1.550(13) . ?
C20 C74 1.504(13) . ?
C48 C138 1.547(14) . ?
C55 C69 1.539(13) . ?
C55 C74 1.514(15) . ?
C100 C104 1.491(16) . ?
C104 C159 1.509(15) . ?
C104 C161 1.530(17) . ?
C121 C136 1.523(18) . ?
C121 C146 1.516(16) . ?
C121 C151 1.503(19) . ?
Ag16 Ag19 3.2815(13) . ?
Ag16 Ag19 3.2815(13) 2 ?
Ag16 Ag19 3.2815(13) 3 ?
Ag16 S9 2.470(3) 2 ?
Ag16 S9 2.471(3) 3 ?
Ag16 S9 2.470(3) . ?
Ag18 Ag19 3.3052(13) . ?
Ag18 Ag19 3.3053(13) 3 ?
Ag18 Ag19 3.3053(13) 2 ?
Ag18 S18 2.459(3) . ?
Ag18 S18 2.459(3) 3 ?
Ag18 S18 2.459(3) 2 ?
Ag19 S9 2.372(3) . ?
Ag19 S18 2.364(3) . ?
S9 C101 1.820(10) . ?
S18 C57 1.827(10) . ?
O20 C62 1.483(11) . ?
O20 C96 1.338(13) . ?
O29 C95 1.490(12) . ?
O29 C109 1.354(14) . ?
O34 C109 1.212(13) . ?
O35 C96 1.237(13) . ?
N10 C38 1.455(13) . ?
N10 C109 1.369(13) . ?
N10 C144 1.442(14) . ?
N14 C40 1.479(12) . ?
N14 C96 1.352(12) . ?
N14 C99 1.455(13) . ?
C22 C57 1.549(14) . ?
C22 C144 1.532(15) . ?
C38 C57 1.551(14) . ?
C40 C101 1.509(13) . ?
C62 C103 1.485(16) . ?
C62 C140 1.551(15) . ?
C62 C162 1.536(17) . ?
C76 C99 1.547(14) . ?
C76 C101 1.518(14) . ?
C95 C117 1.537(10) . ?
C95 C154 1.510(10) . ?
C95 C156 1.526(10) . ?
O45 C0AA 1.462(12) . ?
O1AA C0AA 1.36(2) . ?
O0AA C4AA 1.423(19) . ?
C1AA O2AA 1.448(12) . ?
O3AA C3AA 1.471(12) . ?
C2AA O4AA 1.437(11) . ?

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 Ag3 75.92(4) 3_545 2_445 ?
Ag3 Ag1 Ag3 75.91(4) 3_545 . ?
Ag3 Ag1 Ag3 75.92(4) . 2_445 ?
S7 Ag1 Ag3 113.59(7) 3_545 . ?
S7 Ag1 Ag3 109.57(7) 3_545 2_445 ?
S7 Ag1 Ag3 113.58(7) 2_445 3_545 ?
S7 Ag1 Ag3 45.88(7) 2_445 2_445 ?
S7 Ag1 Ag3 113.58(7) . 2_445 ?
S7 Ag1 Ag3 45.88(7) 3_545 3_545 ?
S7 Ag1 Ag3 109.56(7) . 3_545 ?
S7 Ag1 Ag3 109.56(7) 2_445 . ?
S7 Ag1 Ag3 45.88(7) . . ?
S7 Ag1 S7 119.969(9) 3_545 . ?
S7 Ag1 S7 119.964(6) . 2_445 ?
S7 Ag1 S7 119.967(8) 3_545 2_445 ?
Ag1 Ag3 Ag5 89.91(3) . . ?
S1 Ag3 Ag1 137.57(8) . . ?
S1 Ag3 Ag5 47.96(7) . . ?
S7 Ag3 Ag1 48.30(7) . . ?
S7 Ag3 Ag5 138.03(8) . . ?
S7 Ag3 S1 173.98(11) . . ?
Ag3 Ag5 Ag3 75.27(4) 3_545 . ?
Ag3 Ag5 Ag3 75.27(4) 3_545 2_445 ?
Ag3 Ag5 Ag3 75.27(4) . 2_445 ?
S1 Ag5 Ag3 113.41(8) . 3_545 ?
S1 Ag5 Ag3 108.19(8) . 2_445 ?
S1 Ag5 Ag3 45.55(8) 3_545 3_545 ?
S1 Ag5 Ag3 113.41(8) 2_445 . ?
S1 Ag5 Ag3 45.55(8) 2_445 2_445 ?
S1 Ag5 Ag3 108.19(8) 2_445 3_545 ?
S1 Ag5 Ag3 113.41(8) 3_545 2_445 ?
S1 Ag5 Ag3 108.19(8) 3_545 . ?
S1 Ag5 Ag3 45.55(8) . . ?
S1 Ag5 S1 119.998(5) 3_545 . ?
S1 Ag5 S1 119.998(3) . 2_445 ?
S1 Ag5 S1 119.998(5) 3_545 2_445 ?
Ag3 S1 Ag5 86.49(11) . . ?
C3 S1 Ag3 105.2(4) . . ?
C3 S1 Ag5 111.1(4) . . ?
Ag3 S7 Ag1 85.82(10) . . ?
C44 S7 Ag1 107.7(4) . . ?
C44 S7 Ag3 104.3(4) . . ?
C28 O3 C45 121.7(8) . . ?
C12 O10 C2 122.1(9) . . ?
C12 N1 C1 125.9(10) . . ?
C12 N1 C29 122.1(9) . . ?
C29 N1 C1 111.9(8) . . ?
C26 N2 C13 113.0(8) . . ?
C28 N2 C13 123.4(9) . . ?
C28 N2 C26 123.5(9) . . ?
N1 C1 C3 103.0(9) . . ?
O10 C2 C67 108.7(10) . . ?
O10 C2 C70 111.5(10) . . ?
O10 C2 C98 102.8(9) . . ?
C70 C2 C67 112.7(11) . . ?
C70 C2 C98 110.6(11) . . ?
C98 C2 C67 110.0(12) . . ?
C1 C3 S1 111.7(8) . . ?
C1 C3 C8 103.0(9) . . ?
C8 C3 S1 118.1(8) . . ?
C13 C6 C44 103.1(9) . . ?
C29 C8 C3 103.1(9) . . ?
O14 C12 O10 125.0(11) . . ?
O14 C12 N1 125.3(12) . . ?
N1 C12 O10 109.7(10) . . ?
N2 C13 C6 103.4(8) . . ?
N2 C26 C44 102.3(8) . . ?
O3 C28 N2 111.8(9) . . ?
O17 C28 O3 125.4(9) . . ?
O17 C28 N2 122.8(10) . . ?
N1 C29 C8 102.9(8) . . ?
C6 C44 S7 118.4(8) . . ?
C6 C44 C26 102.9(8) . . ?
C26 C44 S7 111.9(7) . . ?
O3 C45 C60 108.2(8) . . ?
O3 C45 C153 101.6(8) . . ?
C90 C45 O3 111.9(9) . . ?
C90 C45 C60 112.7(9) . . ?
C90 C45 C153 112.2(10) . . ?
C153 C45 C60 109.7(10) . . ?
Ag6 Ag2 Ag7 75.00(3) . . ?
Ag8 Ag2 Ag6 76.20(3) . . ?
Ag8 Ag2 Ag7 75.33(3) . . ?
S2 Ag2 Ag6 110.31(8) . . ?
S2 Ag2 Ag7 44.88(8) . . ?
S2 Ag2 Ag8 109.89(8) . . ?
S2 Ag2 S3 121.89(10) . . ?
S2 Ag2 S4 120.73(10) . . ?
S3 Ag2 Ag6 46.53(7) . . ?
S3 Ag2 Ag7 112.61(7) . . ?
S3 Ag2 Ag8 111.28(8) . . ?
S4 Ag2 Ag6 112.27(8) . . ?
S4 Ag2 Ag7 113.41(8) . . ?
S4 Ag2 Ag8 47.38(8) . . ?
S4 Ag2 S3 117.25(9) . . ?
Ag6 Ag4 Ag8 73.88(3) . . ?
Ag7 Ag4 Ag6 76.34(3) . . ?
Ag7 Ag4 Ag8 75.89(3) . . ?
S6 Ag4 Ag6 107.98(8) . . ?
S6 Ag4 Ag7 111.96(8) . . ?
S6 Ag4 Ag8 45.13(8) . . ?
S6 Ag4 S12 119.67(9) . . ?
S12 Ag4 Ag6 45.53(8) . . ?
S12 Ag4 Ag7 109.86(8) . . ?
S12 Ag4 Ag8 111.22(8) . . ?
S13 Ag4 Ag6 113.34(7) . . ?
S13 Ag4 Ag7 47.39(7) . . ?
S13 Ag4 Ag8 113.64(8) . . ?
S13 Ag4 S6 122.66(9) . . ?
S13 Ag4 S12 117.60(9) . . ?
Ag2 Ag6 Ag4 89.99(2) . . ?
S3 Ag6 Ag2 49.55(7) . . ?
S3 Ag6 Ag4 139.51(8) . . ?
S12 Ag6 Ag2 137.89(7) . . ?
S12 Ag6 Ag4 48.00(7) . . ?
S12 Ag6 S3 172.42(8) . . ?
Ag4 Ag7 Ag2 89.91(3) . . ?
S2 Ag7 Ag2 47.56(7) . . ?
S2 Ag7 Ag4 137.47(7) . . ?
S2 Ag7 S13 173.11(9) . . ?
S13 Ag7 Ag2 139.33(7) . . ?
S13 Ag7 Ag4 49.41(7) . . ?
Ag2 Ag8 Ag4 90.43(2) . . ?
S4 Ag8 Ag2 50.08(7) . . ?
S4 Ag8 Ag4 140.50(8) . . ?
S6 Ag8 Ag2 137.76(8) . . ?
S6 Ag8 Ag4 47.39(7) . . ?
S6 Ag8 S4 171.67(9) . . ?
Ag12 Ag9 Ag10 75.62(3) . 3 ?
Ag12 Ag9 Ag15 75.87(3) . . ?
Ag15 Ag9 Ag10 75.16(3) . 3 ?
S14 Ag9 Ag10 112.63(8) . 3 ?
S14 Ag9 Ag12 46.96(8) . . ?
S14 Ag9 Ag15 112.35(8) . . ?
S16 Ag9 Ag10 44.52(8) 3 3 ?
S16 Ag9 Ag12 109.63(8) 3 . ?
S16 Ag9 Ag15 110.60(8) 3 . ?
S16 Ag9 S14 119.40(9) 3 . ?
S16 Ag9 S17 123.05(9) 3 . ?
S17 Ag9 Ag10 112.41(8) . 3 ?
S17 Ag9 Ag12 109.95(8) . . ?
S17 Ag9 Ag15 45.74(8) . . ?
S17 Ag9 S14 117.50(10) . . ?
Ag13 Ag10 Ag9 89.50(2) 2 2 ?
S5 Ag10 Ag9 139.08(7) . 2 ?
S5 Ag10 Ag13 49.58(7) . 2 ?
S16 Ag10 Ag9 47.36(7) . 2 ?
S16 Ag10 Ag13 136.86(7) . 2 ?
S16 Ag10 S5 173.56(9) . . ?
Ag9 Ag12 Ag13 89.88(3) . . ?
S8 Ag12 Ag9 137.16(8) . . ?
S8 Ag12 Ag13 47.40(7) . . ?
S14 Ag12 Ag9 49.99(7) . . ?
S14 Ag12 Ag13 139.87(8) . . ?
S14 Ag12 S8 172.36(9) . . ?
Ag10 Ag13 Ag12 75.61(3) 3 . ?
Ag10 Ag13 Ag15 77.48(3) 3 . ?
Ag15 Ag13 Ag12 74.45(3) . . ?
S5 Ag13 Ag10 47.02(8) 3 3 ?
S5 Ag13 Ag12 112.94(8) 3 . ?
S5 Ag13 Ag15 114.04(8) 3 . ?
S8 Ag13 Ag10 108.53(8) . 3 ?
S8 Ag13 Ag12 45.18(8) . . ?
S8 Ag13 Ag15 111.08(8) . . ?
S8 Ag13 S5 117.50(9) . 3 ?
S11 Ag13 Ag10 113.36(8) . 3 ?
S11 Ag13 Ag12 111.21(8) . . ?
S11 Ag13 Ag15 46.55(8) . . ?
S11 Ag13 S5 120.50(9) . 3 ?
S11 Ag13 S8 121.81(10) . . ?
Ag13 Ag15 Ag9 89.94(2) . . ?
S11 Ag15 Ag9 138.52(7) . . ?
S11 Ag15 Ag13 48.57(7) . . ?
S17 Ag15 Ag9 48.48(7) . . ?
S17 Ag15 Ag13 138.39(7) . . ?
S17 Ag15 S11 172.92(8) . . ?
Ag7 S2 Ag2 87.55(10) . . ?
C91 S2 Ag2 107.7(4) . . ?
C91 S2 Ag7 104.7(4) . . ?
Ag6 S3 Ag2 83.93(10) . . ?
C15 S3 Ag2 111.2(4) . . ?
C15 S3 Ag6 104.1(4) . . ?
Ag8 S4 Ag2 82.54(10) . . ?
C64 S4 Ag2 111.8(4) . . ?
C64 S4 Ag8 105.8(4) . . ?
Ag10 S5 Ag13 83.40(10) . 2 ?
C18 S5 Ag10 105.7(4) . . ?
C18 S5 Ag13 109.1(4) . 2 ?
Ag8 S6 Ag4 87.48(10) . . ?
C33 S6 Ag4 105.4(3) . . ?
C33 S6 Ag8 103.5(4) . . ?
Ag12 S8 Ag13 87.42(10) . . ?
C54 S8 Ag12 103.4(4) . . ?
C54 S8 Ag13 106.9(4) . . ?
Ag15 S11 Ag13 84.88(10) . . ?
C14 S11 Ag13 107.5(4) . . ?
C14 S11 Ag15 104.1(4) . . ?
Ag6 S12 Ag4 86.47(10) . . ?
C17 S12 Ag4 106.9(3) . . ?
C17 S12 Ag6 103.6(4) . . ?
Ag7 S13 Ag4 83.20(10) . . ?
C61 S13 Ag4 108.0(3) . . ?
C61 S13 Ag7 104.6(3) . . ?
Ag12 S14 Ag9 83.05(10) . . ?
C68 S14 Ag9 111.2(4) . . ?
C68 S14 Ag12 104.5(4) . . ?
Ag10 S16 Ag9 88.12(10) . 2 ?
C32 S16 Ag9 108.4(4) . 2 ?
C32 S16 Ag10 105.9(4) . . ?
Ag15 S17 Ag9 85.78(10) . . ?
C122 S17 Ag9 108.9(4) . . ?
C122 S17 Ag15 105.6(4) . . ?
O19 Na1 O38 88.0(3) . . ?
O19 Na1 O0AA 89.6(4) . . ?
O19 Na1 O2AA 86.9(5) . . ?
O22 Na1 O19 125.9(4) . . ?
O22 Na1 O38 97.9(3) . . ?
O22 Na1 O0AA 100.2(5) . . ?
O22 Na1 O2AA 71.3(5) . . ?
O38 Na1 O0AA 159.3(5) . . ?
O38 Na1 O2AA 161.7(6) . . ?
O39 Na1 O19 122.2(4) . . ?
O39 Na1 O22 111.8(4) . . ?
O39 Na1 O38 87.8(4) . . ?
O39 Na1 O0AA 76.2(5) . . ?
O39 Na1 O2AA 109.8(6) . . ?
O23 Na2 O25 127.2(3) . . ?
O23 Na2 O36 88.0(3) . . ?
O23 Na2 O3AA 86.0(5) . . ?
O23 Na2 O4AA 88.0(4) . . ?
O25 Na2 O36 98.1(3) . . ?
O25 Na2 O3AA 105.3(6) . . ?
O25 Na2 O4AA 74.8(4) . . ?
O36 Na2 O4AA 167.1(4) . . ?
O40 Na2 O23 118.7(4) . . ?
O40 Na2 O25 114.0(4) . . ?
O40 Na2 O36 87.0(4) . . ?
O40 Na2 O3AA 74.3(5) . . ?
O40 Na2 O4AA 105.7(5) . . ?
O3AA Na2 O36 154.5(5) . . ?
O5 Na3 O41 87.8(3) 2_445 . ?
O5 Na3 O45 89.5(10) 2_445 . ?
O5 Na3 O1AA 89.4(4) 2_445 . ?
O21 Na3 O5 126.4(4) . 2_445 ?
O21 Na3 O41 96.3(4) . . ?
O21 Na3 O45 105.5(10) . . ?
O21 Na3 O1AA 76.8(4) . . ?
O41 Na3 O45 154.7(8) . . ?
O41 Na3 O1AA 168.9(4) . . ?
O42 Na3 O5 116.0(4) . 2_445 ?
O42 Na3 O21 117.6(4) . . ?
O42 Na3 O41 88.3(4) . . ?
O42 Na3 O45 70.4(7) . . ?
O42 Na3 O1AA 102.6(4) . . ?
C4 O1 C19 120.6(8) . . ?
C10 O2 C27 119.0(9) . . ?
C4 O5 Na3 150.0(7) . 3_545 ?
C9 O6 C52 119.9(8) . . ?
C66 O7 C53 121.0(9) . . ?
C46 O8 C23 118.8(8) . . ?
C102 O9 C24 118.9(9) . . ?
C58 O11 C36 120.7(10) . . ?
C107 O12 C75 119.2(8) . . ?
C132 O13 C143 119.9(9) . . ?
C129 O15 C77 119.7(9) . . ?
C106 O16 C63 120.1(8) . . ?
C106 O19 Na1 153.1(7) . . ?
C66 O21 Na3 150.5(9) . . ?
C102 O22 Na1 156.4(9) . . ?
C145 O23 Na2 148.7(7) . . ?
C145 O24 C83 119.9(8) . . ?
C58 O25 Na2 151.4(9) . . ?
C4 N3 C30 127.4(9) . . ?
C4 N3 C94 118.5(9) . . ?
C30 N3 C94 113.8(8) . . ?
C7 N4 C47 111.2(9) . . ?
C10 N4 C7 128.7(10) . . ?
C10 N4 C47 119.4(11) . . ?
C5 N5 C71 113.1(8) . . ?
C46 N5 C5 126.1(9) . . ?
C46 N5 C71 120.8(9) . . ?
C39 N6 C25 114.8(9) . . ?
C66 N6 C25 121.1(10) . . ?
C66 N6 C39 124.1(10) . . ?
C49 N7 C73 111.6(8) . . ?
C58 N7 C49 125.8(10) . . ?
C58 N7 C73 122.5(10) . . ?
C78 N8 C128 111.6(9) . . ?
C102 N8 C78 127.2(10) . . ?
C102 N8 C128 121.2(10) . . ?
C85 N9 C41 112.6(8) . . ?
C132 N9 C41 125.0(10) . . ?
C132 N9 C85 122.4(10) . . ?
C9 N12 C11 127.1(9) . . ?
C9 N12 C110 121.1(9) . . ?
C110 N12 C11 111.8(8) . . ?
C137 N13 C65 111.6(8) . . ?
C145 N13 C65 126.8(8) . . ?
C145 N13 C137 121.4(8) . . ?
C129 N15 C111 124.8(9) . . ?
C129 N15 C152 123.0(10) . . ?
C152 N15 C111 112.1(9) . . ?
C106 N16 C51 127.4(9) . . ?
C106 N16 C113 121.6(9) . . ?
C113 N16 C51 110.6(8) . . ?
C107 N18 C34 125.2(10) . . ?
C107 N18 C126 121.8(10) . . ?
C126 N18 C34 113.0(9) . . ?
O5 C4 O1 123.4(9) . . ?
O5 C4 N3 124.8(9) . . ?
N3 C4 O1 111.9(8) . . ?
N5 C5 C33 102.7(8) . . ?
N4 C7 C64 104.3(9) . . ?
O6 C9 N12 111.1(9) . . ?
O30 C9 O6 125.6(9) . . ?
O30 C9 N12 123.3(10) . . ?
O4 C10 O2 124.9(12) . . ?
O4 C10 N4 127.3(13) . . ?
N4 C10 O2 107.7(11) . . ?
N12 C11 C54 102.7(9) . . ?
C78 C14 S11 113.1(8) . . ?
C78 C14 C92 103.8(9) . . ?
C92 C14 S11 118.6(8) . . ?
C21 C15 S3 118.7(8) . . ?
C65 C15 S3 115.3(8) . . ?
C65 C15 C21 101.4(9) . . ?
C41 C17 S12 111.9(7) . . ?
C86 C17 S12 117.9(7) . . ?
C86 C17 C41 102.7(8) . . ?
C37 C18 S5 118.4(8) . . ?
C49 C18 S5 112.2(8) . . ?
C49 C18 C37 101.7(8) . . ?
O1 C19 C31 108.7(9) . . ?
O1 C19 C43 101.1(8) . . ?
O1 C19 C80 112.3(9) . . ?
C31 C19 C43 110.2(10) . . ?
C80 C19 C31 113.0(10) . . ?
C80 C19 C43 110.9(10) . . ?
C137 C21 C15 102.5(8) . . ?
O8 C23 C82 101.6(8) . . ?
C105 C23 O8 111.6(8) . . ?
C105 C23 C82 109.5(11) . . ?
C124 C23 O8 110.2(8) . . ?
C124 C23 C82 110.6(11) . . ?
C124 C23 C105 112.7(10) . . ?
O9 C24 C116 109.8(8) . . ?
O9 C24 C135 102.8(8) . . ?
O9 C24 C147 108.6(8) . . ?
C116 C24 C135 111.6(9) . . ?
C147 C24 C116 112.5(9) . . ?
C147 C24 C135 111.1(10) . . ?
N6 C25 C56 102.1(9) . . ?
O2 C27 C42 109.5(9) . . ?
O2 C27 C89 111.3(9) . . ?
O2 C27 C127 101.2(8) . . ?
C42 C27 C127 108.9(10) . . ?
C89 C27 C42 113.0(10) . . ?
C89 C27 C127 112.3(11) . . ?
N3 C30 C32 102.4(8) . . ?
C30 C32 S16 113.3(7) . . ?
C81 C32 S16 118.0(8) . . ?
C81 C32 C30 102.4(8) . . ?
C5 C33 S6 112.2(7) . . ?
C50 C33 S6 118.2(8) . . ?
C50 C33 C5 101.8(9) . . ?
N18 C34 C122 101.5(9) . . ?
C47 C35 C64 102.4(10) . . ?
O11 C36 C59 111.1(10) . . ?
O11 C36 C108 111.2(10) . . ?
O11 C36 C112 103.8(10) . . ?
C59 C36 C108 113.2(11) . . ?
C59 C36 C112 106.7(11) . . ?
C108 C36 C112 110.3(12) . . ?
C73 C37 C18 103.1(9) . . ?
N6 C39 C61 101.4(9) . . ?
N9 C41 C17 102.1(8) . . ?
O8 C46 N5 110.6(9) . . ?
O31 C46 O8 127.1(9) . . ?
O31 C46 N5 122.3(10) . . ?
N4 C47 C35 101.2(10) . . ?
N7 C49 C18 104.1(9) . . ?
C33 C50 C71 104.9(9) . . ?
N16 C51 C91 102.8(8) . . ?
O6 C52 C97 108.2(8) . . ?
O6 C52 C115 111.7(9) . . ?
O6 C52 C125 102.7(9) . . ?
C115 C52 C97 113.6(10) . . ?
C115 C52 C125 110.8(11) . . ?
C125 C52 C97 109.3(12) . . ?
O7 C53 C84 102.5(11) . . ?
O7 C53 C87 109.9(10) . . ?
O7 C53 C141 107.8(10) . . ?
C84 C53 C87 111.9(12) . . ?
C84 C53 C141 111.1(12) . . ?
C87 C53 C141 113.0(10) . . ?
C11 C54 S8 112.0(8) . . ?
C11 C54 C119 102.5(9) . . ?
C119 C54 S8 117.2(8) . . ?
C61 C56 C25 103.0(9) . . ?
O25 C58 O11 125.9(11) . . ?
O25 C58 N7 125.1(12) . . ?
N7 C58 O11 109.0(11) . . ?
C39 C61 S13 110.4(7) . . ?
C56 C61 S13 118.7(7) . . ?
C56 C61 C39 103.1(9) . . ?
O16 C63 C133 108.9(8) . . ?
O16 C63 C134 102.7(8) . . ?
O16 C63 C160 111.6(8) . . ?
C133 C63 C134 112.2(10) . . ?
C133 C63 C160 111.3(9) . . ?
C160 C63 C134 109.8(9) . . ?
C7 C64 S4 113.1(8) . . ?
C7 C64 C35 101.9(9) . . ?
C35 C64 S4 117.6(8) . . ?
N13 C65 C15 103.6(8) . . ?
O7 C66 N6 109.1(10) . . ?
O21 C66 O7 126.2(11) . . ?
O21 C66 N6 124.6(12) . . ?
C111 C68 S14 112.5(8) . . ?
C131 C68 S14 119.9(8) . . ?
C131 C68 C111 103.4(9) . . ?
N5 C71 C50 102.9(8) . . ?
N7 C73 C37 103.4(9) . . ?
O12 C75 C149 109.6(8) . . ?
O12 C75 C155 110.1(10) . . ?
C148 C75 O12 103.5(9) . . ?
C148 C75 C149 111.7(11) . . ?
C148 C75 C155 111.1(10) . . ?
C149 C75 C155 110.5(10) . . ?
O15 C77 C120 108.5(10) . . ?
O15 C77 C139 112.0(10) . . ?
O15 C77 C150 102.4(9) . . ?
C139 C77 C120 113.3(11) . . ?
C139 C77 C150 110.0(11) . . ?
C150 C77 C120 110.1(11) . . ?
N8 C78 C14 103.8(9) . . ?
C91 C79 C113 102.4(9) . . ?
C32 C81 C94 105.1(8) . . ?
O24 C83 C130 107.6(8) . . ?
O24 C83 C157 110.9(8) . . ?
C118 C83 O24 101.9(8) . . ?
C118 C83 C130 111.8(10) . . ?
C118 C83 C157 111.4(9) . . ?
C157 C83 C130 112.6(9) . . ?
N9 C85 C86 102.7(8) . . ?
C17 C86 C85 103.6(8) . . ?
C51 C91 S2 114.3(7) . . ?
C79 C91 S2 116.8(8) . . ?
C79 C91 C51 103.4(9) . . ?
C128 C92 C14 103.9(10) . . ?
N3 C94 C81 101.1(8) . . ?
O9 C102 N8 109.8(10) . . ?
O22 C102 O9 126.4(11) . . ?
O22 C102 N8 123.9(12) . . ?
O16 C106 N16 110.5(8) . . ?
O19 C106 O16 126.7(9) . . ?
O19 C106 N16 122.8(10) . . ?
O12 C107 N18 109.9(9) . . ?
O26 C107 O12 127.0(10) . . ?
O26 C107 N18 123.1(11) . . ?
N12 C110 C119 102.1(9) . . ?
N15 C111 C68 102.6(9) . . ?
N16 C113 C79 104.6(8) . . ?
C110 C119 C54 104.4(10) . . ?
C34 C122 S17 113.0(8) . . ?
C142 C122 S17 118.2(8) . . ?
C142 C122 C34 102.5(9) . . ?
N18 C126 C142 102.5(9) . . ?
N8 C128 C92 102.4(9) . . ?
O15 C129 N15 111.0(10) . . ?
O28 C129 O15 126.8(11) . . ?
O28 C129 N15 122.2(11) . . ?
C68 C131 C152 101.7(10) . . ?
O13 C132 N9 110.9(10) . . ?
O32 C132 O13 126.4(10) . . ?
O32 C132 N9 122.6(11) . . ?
N13 C137 C21 105.0(8) . . ?
C122 C142 C126 103.4(10) . . ?
O13 C143 C114 110.2(9) . . ?
O13 C143 C123 101.1(9) . . ?
O13 C143 C158 109.8(9) . . ?
C114 C143 C123 110.2(11) . . ?
C114 C143 C158 111.4(11) . . ?
C123 C143 C158 113.7(12) . . ?
O23 C145 O24 126.2(9) . . ?
O23 C145 N13 123.5(9) . . ?
O24 C145 N13 110.3(8) . . ?
N15 C152 C131 103.8(9) . . ?
Ag17 Ag11 Ag17 76.10(4) 3_445 . ?
Ag17 Ag11 Ag17 76.09(4) 2_455 . ?
Ag17 Ag11 Ag17 76.10(4) 2_455 3_445 ?
S10 Ag11 Ag17 46.21(7) 3_445 3_445 ?
S10 Ag11 Ag17 110.09(7) 3_445 . ?
S10 Ag11 Ag17 110.09(7) . 2_455 ?
S10 Ag11 Ag17 113.84(8) . 3_445 ?
S10 Ag11 Ag17 46.21(7) . . ?
S10 Ag11 Ag17 113.84(8) 3_445 2_455 ?
S10 Ag11 Ag17 110.09(7) 2_455 3_445 ?
S10 Ag11 Ag17 113.84(8) 2_455 . ?
S10 Ag11 Ag17 46.21(7) 2_455 2_455 ?
S10 Ag11 S10 119.931(8) 2_455 3_445 ?
S10 Ag11 S10 119.930(9) 2_455 . ?
S10 Ag11 S10 119.931(8) 3_445 . ?
Ag17 Ag14 Ag17 75.27(3) 2_455 . ?
Ag17 Ag14 Ag17 75.27(3) 2_455 3_445 ?
Ag17 Ag14 Ag17 75.27(3) 3_445 . ?
S15 Ag14 Ag17 113.46(8) 3_445 . ?
S15 Ag14 Ag17 45.75(8) 2_455 2_455 ?
S15 Ag14 Ag17 108.48(8) 2_455 . ?
S15 Ag14 Ag17 113.46(8) 2_455 3_445 ?
S15 Ag14 Ag17 45.75(8) . . ?
S15 Ag14 Ag17 113.46(8) . 2_455 ?
S15 Ag14 Ag17 108.48(8) 3_445 2_455 ?
S15 Ag14 Ag17 45.75(8) 3_445 3_445 ?
S15 Ag14 Ag17 108.48(8) . 3_445 ?
S15 Ag14 S15 119.996(5) 2_455 . ?
S15 Ag14 S15 119.991(4) 3_445 . ?
S15 Ag14 S15 119.994(3) 3_445 2_455 ?
Ag11 Ag17 Ag14 89.79(3) . . ?
S10 Ag17 Ag11 48.55(7) . . ?
S10 Ag17 Ag14 138.19(7) . . ?
S15 Ag17 Ag11 137.30(7) . . ?
S15 Ag17 Ag14 47.78(7) . . ?
S15 Ag17 S10 173.99(10) . . ?
Ag17 S10 Ag11 85.23(10) . . ?
C74 S10 Ag11 107.8(3) . . ?
C74 S10 Ag17 103.7(4) . . ?
Ag17 S15 Ag14 86.47(11) . . ?
C16 S15 Ag14 109.9(3) . . ?
C16 S15 Ag17 104.4(4) . . ?
C88 O18 C121 122.2(8) . . ?
C93 O27 C104 118.2(8) . . ?
C72 N11 C138 113.3(7) . . ?
C88 N11 C72 124.3(9) . . ?
C88 N11 C138 122.3(8) . . ?
C69 N17 C20 112.2(7) . . ?
C93 N17 C20 125.6(8) . . ?
C93 N17 C69 121.9(8) . . ?
C48 C16 S15 119.2(8) . . ?
C48 C16 C72 102.5(8) . . ?
C72 C16 S15 111.5(7) . . ?
N17 C20 C74 102.1(8) . . ?
C16 C48 C138 103.2(9) . . ?
C74 C55 C69 102.5(8) . . ?
N17 C69 C55 103.4(7) . . ?
N11 C72 C16 102.3(7) . . ?
C20 C74 S10 110.7(7) . . ?
C20 C74 C55 104.7(8) . . ?
C55 C74 S10 118.5(7) . . ?
O33 C88 O18 125.1(10) . . ?
O33 C88 N11 124.4(10) . . ?
N11 C88 O18 110.4(8) . . ?
O37 C93 O27 126.7(9) . . ?
O37 C93 N17 124.3(9) . . ?
N17 C93 O27 109.0(8) . . ?
O27 C104 C159 109.8(8) . . ?
O27 C104 C161 99.3(8) . . ?
C100 C104 O27 110.4(9) . . ?
C100 C104 C159 114.0(9) . . ?
C100 C104 C161 112.1(10) . . ?
C159 C104 C161 110.3(10) . . ?
O18 C121 C136 109.5(10) . . ?
O18 C121 C146 109.6(9) . . ?
O18 C121 C151 103.0(9) . . ?
C146 C121 C136 111.7(11) . . ?
C151 C121 C136 111.1(11) . . ?
C151 C121 C146 111.6(12) . . ?
N11 C138 C48 102.2(8) . . ?
Ag19 Ag16 Ag19 76.09(4) 2 3 ?
Ag19 Ag16 Ag19 76.09(4) . 2 ?
Ag19 Ag16 Ag19 76.09(4) . 3 ?
S9 Ag16 Ag19 46.10(7) 2 2 ?
S9 Ag16 Ag19 113.70(7) . 3 ?
S9 Ag16 Ag19 110.06(7) 2 3 ?
S9 Ag16 Ag19 110.06(7) . 2 ?
S9 Ag16 Ag19 110.06(7) 3 . ?
S9 Ag16 Ag19 46.10(7) 3 3 ?
S9 Ag16 Ag19 113.70(7) 2 . ?
S9 Ag16 Ag19 46.10(7) . . ?
S9 Ag16 Ag19 113.70(7) 3 2 ?
S9 Ag16 S9 119.937(7) . 3 ?
S9 Ag16 S9 119.944(7) 2 3 ?
S9 Ag16 S9 119.941(7) 2 . ?
Ag19 Ag18 Ag19 75.45(4) 3 2 ?
Ag19 Ag18 Ag19 75.45(4) . 2 ?
Ag19 Ag18 Ag19 75.45(4) . 3 ?
S18 Ag18 Ag19 113.51(8) 3 . ?
S18 Ag18 Ag19 113.51(8) 2 3 ?
S18 Ag18 Ag19 108.36(8) 3 2 ?
S18 Ag18 Ag19 108.36(8) 2 . ?
S18 Ag18 Ag19 113.51(8) . 2 ?
S18 Ag18 Ag19 108.36(8) . 3 ?
S18 Ag18 Ag19 45.55(8) . . ?
S18 Ag18 Ag19 45.55(8) 3 3 ?
S18 Ag18 Ag19 45.55(8) 2 2 ?
S18 Ag18 S18 119.996(2) . 3 ?
S18 Ag18 S18 119.995(3) . 2 ?
S18 Ag18 S18 119.996(3) 3 2 ?
Ag16 Ag19 Ag18 89.68(3) . . ?
S9 Ag19 Ag16 48.61(7) . . ?
S9 Ag19 Ag18 138.16(7) . . ?
S18 Ag19 Ag16 137.34(7) . . ?
S18 Ag19 Ag18 47.95(7) . . ?
S18 Ag19 S9 173.84(10) . . ?
Ag19 S9 Ag16 85.29(10) . . ?
C101 S9 Ag16 107.8(3) . . ?
C101 S9 Ag19 103.9(3) . . ?
Ag19 S18 Ag18 86.50(10) . . ?
C57 S18 Ag18 109.7(3) . . ?
C57 S18 Ag19 105.5(4) . . ?
C96 O20 C62 119.2(8) . . ?
C109 O29 C95 119.1(8) . . ?
C109 N10 C38 123.6(9) . . ?
C109 N10 C144 122.2(9) . . ?
C144 N10 C38 114.2(8) . . ?
C96 N14 C40 124.3(9) . . ?
C96 N14 C99 122.7(9) . . ?
C99 N14 C40 112.8(7) . . ?
C144 C22 C57 102.3(8) . . ?
N10 C38 C57 101.7(8) . . ?
N14 C40 C101 102.6(7) . . ?
C22 C57 S18 118.1(7) . . ?
C22 C57 C38 101.9(8) . . ?
C38 C57 S18 111.0(7) . . ?
O20 C62 C103 110.9(9) . . ?
O20 C62 C140 109.9(8) . . ?
O20 C62 C162 100.0(8) . . ?
C103 C62 C140 112.9(10) . . ?
C103 C62 C162 112.9(10) . . ?
C162 C62 C140 109.5(9) . . ?
C101 C76 C99 103.0(8) . . ?
O29 C95 C117 109.7(8) . . ?
O29 C95 C154 111.1(9) . . ?
O29 C95 C156 100.6(9) . . ?
C154 C95 C117 113.1(10) . . ?
C154 C95 C156 111.7(11) . . ?
C156 C95 C117 109.9(12) . . ?
O20 C96 N14 111.0(9) . . ?
O35 C96 O20 126.2(9) . . ?
O35 C96 N14 122.7(10) . . ?
N14 C99 C76 102.3(8) . . ?
C40 C101 S9 111.4(6) . . ?
C40 C101 C76 103.6(8) . . ?
C76 C101 S9 118.1(7) . . ?
O29 C109 N10 108.6(9) . . ?
O34 C109 O29 127.0(10) . . ?
O34 C109 N10 124.4(11) . . ?
N10 C144 C22 103.2(8) . . ?
C0AA O45 Na3 121(2) . . ?
C0AA O1AA Na3 122.8(11) . . ?
C4AA O0AA Na1 120.7(15) . . ?
C3AA O3AA Na2 114.5(17) . . ?
C2AA O4AA Na2 122.6(12) . . ?
C1AA O2AA Na1 121.2(18) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.118
_oxdiff_exptl_absorpt_empirical_full_min 0.893
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.5722(9)
2 0.4278(9)

####################################################################### 
# 
# 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_r-ag5-gut-200k
_database_code_depnum_ccdc_archive 'CCDC 2192036'
loop_
_audit_author_name
_audit_author_address
'Xi-Ming Luo'
;ZhengZhou university
China
;
_audit_update_record             
;
2022-09-26 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
_audit_creation_date             2022-09-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
# start Validation Reply Form
_vrf_PLAT342_r-ag5-gut-200k      
;
PROBLEM:Low Bond Precision on  C-C Bonds ...............       0.032 Ang 
RESPONSE: This is attributed to the disordered group. No split was
applied to this molecule/group for clarity.
;
_vrf_PLAT601_r-ag5-gut-200k      
;
PROBLEM:Unit Cell Contains Solvent Accessible VOIDS of .        145 Ang**3
RESPONSE: This is attributed to the some water molecules.
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H96 Ag5 N6 O12 S6'
_chemical_formula_sum            'C54 H96 Ag5 N6 O12 S6'
_chemical_formula_weight         1753.07
_chemical_absolute_configuration syn
_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      trigonal
_space_group_IT_number           143
_space_group_name_H-M_alt        'P 3'
_space_group_name_Hall           'P 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'

_cell_length_a                   15.5680(10)
_cell_length_b                   15.5680(10)
_cell_length_c                   9.2630(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     1944.2(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9765
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.431
_cell_measurement_theta_min      2.209
_shelx_estimated_absorpt_T_max   0.918
_shelx_estimated_absorpt_T_min   0.857
_exptl_absorpt_coefficient_mu    1.449
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6500
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1414 before and 0.0764 after correction. The Ratio of minimum to maximum transmission is 0.8718. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             889
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0864
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            98840
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.705
_diffrn_reflns_theta_min         2.668
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.983
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.977
_reflns_number_gt                5043
_reflns_number_total             5993
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.855
_refine_diff_density_min         -0.704
_refine_diff_density_rms         0.110
_refine_ls_abs_structure_details 
;
 Flack x determined using 2245 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.008(18)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         5993
_refine_ls_number_restraints     485
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0503
_refine_ls_restrained_S_all      1.047
_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)+(0.0853P)²+2.0284P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1300
_refine_ls_wR_factor_ref         0.1408
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.388(5)
 0.612(5)
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. Restrained distances
 C12-N2 = C13-N2 = C13-C10 = C12-C11 = C10-C11
 1.51 with sigma of 0.01
 C2-C1 = C1-C4 = N1-C4 = C3-N1 = C3-C2
 1.51 with sigma of 0.01
 O1-C5
 1.2 with sigma of 0.02
 N2-C14
 1.4 with sigma of 0.02
 O3-C14
 1.2 with sigma of 0.02
 O2-C5
 1.35 with sigma of 0.02
 C8-C6 = C6-C9 = C7-C6
 1.45 with sigma of 0.01
 C14-O4
 1.45 with sigma of 0.01
 C15-O4
 1.45 with sigma of 0.01
 C16-C15 = C17-C15 = C18-C15
 1.53 with sigma of 0.01
 O2-C7 \\sim O2-C8 \\sim O2-C9
 with sigma of 0.02
 C7-C8 \\sim C7-C9 \\sim C8-C9
 with sigma of 0.02
 O4-C16 \\sim O4-C17 \\sim O4-C18
 with sigma of 0.02
 C16-C17 \\sim C16-C18 \\sim C17-C18
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
S2 \\sim N2 \\sim C10 \\sim C11 \\sim C12 \\sim C13: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.01 within 2A
S1 \\sim O1 \\sim O2 \\sim N1 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5
\\sim C6 \\sim C7 \\sim C8 \\sim C9: within 3A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 3A
S2 \\sim O3 \\sim O4 \\sim N2 \\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14
\\sim C15 \\sim C16 \\sim C17 \\sim C18: within 3A with sigma of 0.01 and sigma
for terminal atoms of 0.01 within 3A
5.a Ternary CH refined with riding coordinates:
 C1(H1), C10(H10)
5.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B)
5.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.000000 0.000000 0.8301(3) 0.0517(5) Uani 1 3 d S T P . .
Ag2 Ag 0.17280(5) 0.08611(6) 0.5771(5) 0.0630(2) Uani 1 1 d . . . . .
Ag3 Ag 0.000000 0.000000 0.3251(3) 0.0519(5) Uani 1 3 d S T P . .
S1 S 0.1837(3) 0.0932(3) 0.3190(8) 0.0592(15) Uani 1 1 d . U . . .
S2 S 0.1819(4) 0.0890(3) 0.8335(8) 0.0606(16) Uani 1 1 d . U . . .
O1 O 0.4311(12) -0.1235(12) 0.292(2) 0.092(3) Uani 1 1 d D U . . .
O2 O 0.5030(11) 0.0372(11) 0.3280(17) 0.089(3) Uani 1 1 d D U . . .
O3 O 0.4139(15) 0.5545(12) 0.831(3) 0.119(4) Uani 1 1 d D U . . .
O4 O 0.4983(12) 0.4650(11) 0.825(2) 0.111(4) Uani 1 1 d D U . . .
N1 N 0.3409(10) -0.0460(11) 0.316(2) 0.082(3) Uani 1 1 d D U . . .
N2 N 0.3385(12) 0.3862(10) 0.836(2) 0.097(4) Uani 1 1 d D U . . .
C1 C 0.2262(9) 0.0084(11) 0.270(2) 0.073(3) Uani 1 1 d D U . . .
H1 H 0.223118 0.002733 0.162678 0.088 Uiso 1 1 calc R U . . .
C2 C 0.1724(12) -0.0957(12) 0.330(3) 0.083(3) Uani 1 1 d D U . . .
H2A H 0.107242 -0.135694 0.282488 0.100 Uiso 1 1 calc R U . . .
H2B H 0.161965 -0.094995 0.435435 0.100 Uiso 1 1 calc R U . . .
C3 C 0.2405(11) -0.1373(13) 0.297(3) 0.089(3) Uani 1 1 d D U . . .
H3A H 0.230349 -0.190152 0.366118 0.106 Uiso 1 1 calc R U . . .
H3B H 0.230931 -0.163431 0.197438 0.106 Uiso 1 1 calc R U . . .
C4 C 0.3331(11) 0.0453(12) 0.314(2) 0.079(3) Uani 1 1 d D U . . .
H4A H 0.379702 0.093791 0.243059 0.095 Uiso 1 1 calc R U . . .
H4B H 0.347233 0.076834 0.410521 0.095 Uiso 1 1 calc R U . . .
C5 C 0.4268(16) -0.0515(14) 0.307(3) 0.095(3) Uani 1 1 d D U . . .
C6 C 0.6037(16) 0.0540(13) 0.3292(19) 0.102(4) Uani 1 1 d D U . . .
C7 C 0.6660(17) 0.1608(14) 0.350(3) 0.118(5) Uani 1 1 d D U . . .
H7A H 0.716240 0.188152 0.273397 0.177 Uiso 1 1 calc R U . . .
H7B H 0.698666 0.173878 0.444010 0.177 Uiso 1 1 calc R U . . .
H7C H 0.624798 0.192021 0.345421 0.177 Uiso 1 1 calc R U . . .
C8 C 0.6144(19) 0.0004(18) 0.450(2) 0.108(4) Uani 1 1 d D U . . .
H8A H 0.681882 0.038179 0.488466 0.162 Uiso 1 1 calc R U . . .
H8B H 0.602088 -0.064613 0.416453 0.162 Uiso 1 1 calc R U . . .
H8C H 0.566576 -0.008673 0.525244 0.162 Uiso 1 1 calc R U . . .
C9 C 0.6227(17) 0.0208(19) 0.194(2) 0.108(4) Uani 1 1 d D U . . .
H9A H 0.678576 0.009086 0.205500 0.162 Uiso 1 1 calc R U . . .
H9B H 0.638836 0.071671 0.120067 0.162 Uiso 1 1 calc R U . . .
H9C H 0.563583 -0.040917 0.164556 0.162 Uiso 1 1 calc R U . . .
C10 C 0.2260(10) 0.2173(11) 0.883(2) 0.075(3) Uani 1 1 d D U . . .
H10 H 0.221860 0.220633 0.990569 0.090 Uiso 1 1 calc R U . . .
C11 C 0.1745(14) 0.2682(11) 0.817(3) 0.088(4) Uani 1 1 d D U . . .
H11A H 0.107224 0.241188 0.858766 0.105 Uiso 1 1 calc R U . . .
H11B H 0.168530 0.258086 0.711637 0.105 Uiso 1 1 calc R U . . .
C12 C 0.2382(13) 0.3780(12) 0.853(3) 0.093(4) Uani 1 1 d D U . . .
H12A H 0.228114 0.420496 0.783516 0.112 Uiso 1 1 calc R U . . .
H12B H 0.226865 0.393343 0.952618 0.112 Uiso 1 1 calc R U . . .
C13 C 0.3333(13) 0.2878(11) 0.838(3) 0.091(4) Uani 1 1 d D U . . .
H13A H 0.380507 0.287034 0.909044 0.109 Uiso 1 1 calc R U . . .
H13B H 0.347400 0.270487 0.741665 0.109 Uiso 1 1 calc R U . . .
C14 C 0.4168(14) 0.4813(13) 0.840(3) 0.104(4) Uani 1 1 d D U . . .
C15 C 0.5979(14) 0.5487(13) 0.824(2) 0.123(5) Uani 1 1 d D U . . .
C16 C 0.6665(16) 0.5043(19) 0.812(3) 0.132(6) Uani 1 1 d D U . . .
H16A H 0.714050 0.528365 0.891557 0.197 Uiso 1 1 calc R U . . .
H16B H 0.702354 0.524551 0.719666 0.197 Uiso 1 1 calc R U . . .
H16C H 0.626633 0.431821 0.815569 0.197 Uiso 1 1 calc R U . . .
C17 C 0.613(2) 0.6160(16) 0.696(3) 0.136(6) Uani 1 1 d D U . . .
H17A H 0.566522 0.577558 0.619112 0.204 Uiso 1 1 calc R U . . .
H17B H 0.681374 0.643900 0.660087 0.204 Uiso 1 1 calc R U . . .
H17C H 0.602118 0.669936 0.726130 0.204 Uiso 1 1 calc R U . . .
C18 C 0.619(2) 0.6066(16) 0.964(2) 0.130(5) Uani 1 1 d D U . . .
H18A H 0.642507 0.577850 1.036588 0.195 Uiso 1 1 calc R U . . .
H18B H 0.557582 0.603417 0.997898 0.195 Uiso 1 1 calc R U . . .
H18C H 0.669318 0.675935 0.946750 0.195 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
Ag1 Ag2 3.304(4) . ?
Ag1 Ag2 3.304(4) 2 ?
Ag1 Ag2 3.304(4) 3 ?
Ag1 S2 2.453(5) 2 ?
Ag1 S2 2.453(5) 3 ?
Ag1 S2 2.453(5) . ?
Ag2 Ag3 3.298(4) . ?
Ag2 S1 2.396(9) . ?
Ag2 S2 2.378(9) . ?
Ag3 S1 2.478(5) 3 ?
Ag3 S1 2.478(5) . ?
Ag3 S1 2.478(5) 2 ?
S1 C1 1.804(17) . ?
S2 C10 1.817(18) . ?
O1 C5 1.164(19) . ?
O2 C5 1.31(2) . ?
O2 C6 1.45(3) . ?
O3 C14 1.17(2) . ?
O4 C14 1.419(13) . ?
O4 C15 1.444(13) . ?
N1 C3 1.507(13) . ?
N1 C4 1.487(12) . ?
N1 C5 1.38(2) . ?
N2 C12 1.511(13) . ?
N2 C13 1.493(13) . ?
N2 C14 1.37(2) . ?
C1 H1 1.0000 . ?
C1 C2 1.509(13) . ?
C1 C4 1.519(12) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.524(13) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C6 C7 1.458(14) . ?
C6 C8 1.452(14) . ?
C6 C9 1.441(14) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C11 1.508(13) . ?
C10 C13 1.528(13) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.523(13) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C15 C16 1.538(14) . ?
C15 C17 1.520(14) . ?
C15 C18 1.515(14) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?

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
Ag2 Ag1 Ag2 75.27(11) . 2 ?
Ag2 Ag1 Ag2 75.27(11) 3 2 ?
Ag2 Ag1 Ag2 75.27(11) 3 . ?
S2 Ag1 Ag2 45.9(2) . . ?
S2 Ag1 Ag2 110.8(2) 3 2 ?
S2 Ag1 Ag2 45.9(2) 3 3 ?
S2 Ag1 Ag2 111.58(18) 3 . ?
S2 Ag1 Ag2 45.9(2) 2 2 ?
S2 Ag1 Ag2 110.8(2) . 3 ?
S2 Ag1 Ag2 111.58(18) 2 3 ?
S2 Ag1 Ag2 111.58(18) . 2 ?
S2 Ag1 Ag2 110.8(2) 2 . ?
S2 Ag1 S2 119.984(12) 3 2 ?
S2 Ag1 S2 119.983(12) . 2 ?
S2 Ag1 S2 119.984(10) . 3 ?
Ag3 Ag2 Ag1 90.22(3) . . ?
S1 Ag2 Ag1 138.69(13) . . ?
S1 Ag2 Ag3 48.47(13) . . ?
S2 Ag2 Ag1 47.80(14) . . ?
S2 Ag2 Ag3 138.02(14) . . ?
S2 Ag2 S1 173.51(9) . . ?
Ag2 Ag3 Ag2 75.43(11) . 2 ?
Ag2 Ag3 Ag2 75.43(11) 3 . ?
Ag2 Ag3 Ag2 75.43(11) 3 2 ?
S1 Ag3 Ag2 46.4(2) 2 2 ?
S1 Ag3 Ag2 112.06(17) 3 2 ?
S1 Ag3 Ag2 111.3(2) . 2 ?
S1 Ag3 Ag2 112.06(17) . 3 ?
S1 Ag3 Ag2 111.3(2) 2 3 ?
S1 Ag3 Ag2 46.4(2) 3 3 ?
S1 Ag3 Ag2 46.4(2) . . ?
S1 Ag3 Ag2 112.05(17) 2 . ?
S1 Ag3 Ag2 111.3(2) 3 . ?
S1 Ag3 S1 119.949(18) . 2 ?
S1 Ag3 S1 119.948(18) 3 2 ?
S1 Ag3 S1 119.947(17) . 3 ?
Ag2 S1 Ag3 85.2(2) . . ?
C1 S1 Ag2 105.0(7) . . ?
C1 S1 Ag3 108.4(5) . . ?
Ag2 S2 Ag1 86.3(2) . . ?
C10 S2 Ag1 108.6(5) . . ?
C10 S2 Ag2 105.1(7) . . ?
C5 O2 C6 121.3(14) . . ?
C14 O4 C15 119.5(14) . . ?
C4 N1 C3 111.0(12) . . ?
C5 N1 C3 120.9(13) . . ?
C5 N1 C4 127.0(15) . . ?
C13 N2 C12 112.9(13) . . ?
C14 N2 C12 114.4(14) . . ?
C14 N2 C13 132.2(16) . . ?
S1 C1 H1 107.1 . . ?
C2 C1 S1 119.0(12) . . ?
C2 C1 H1 107.1 . . ?
C2 C1 C4 102.9(13) . . ?
C4 C1 S1 112.9(11) . . ?
C4 C1 H1 107.1 . . ?
C1 C2 H2A 110.8 . . ?
C1 C2 H2B 110.8 . . ?
C1 C2 C3 104.6(14) . . ?
H2A C2 H2B 108.9 . . ?
C3 C2 H2A 110.8 . . ?
C3 C2 H2B 110.8 . . ?
N1 C3 C2 100.9(13) . . ?
N1 C3 H3A 111.6 . . ?
N1 C3 H3B 111.6 . . ?
C2 C3 H3A 111.6 . . ?
C2 C3 H3B 111.6 . . ?
H3A C3 H3B 109.4 . . ?
N1 C4 C1 103.8(12) . . ?
N1 C4 H4A 111.0 . . ?
N1 C4 H4B 111.0 . . ?
C1 C4 H4A 111.0 . . ?
C1 C4 H4B 111.0 . . ?
H4A C4 H4B 109.0 . . ?
O1 C5 O2 125(2) . . ?
O1 C5 N1 126.1(19) . . ?
O2 C5 N1 108.7(15) . . ?
O2 C6 C7 104.4(15) . . ?
C8 C6 O2 109.0(15) . . ?
C8 C6 C7 110.7(15) . . ?
C9 C6 O2 108.9(15) . . ?
C9 C6 C7 112.5(16) . . ?
C9 C6 C8 110.9(15) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
S2 C10 H10 108.0 . . ?
C11 C10 S2 117.8(12) . . ?
C11 C10 H10 108.0 . . ?
C11 C10 C13 101.0(15) . . ?
C13 C10 S2 113.4(12) . . ?
C13 C10 H10 108.0 . . ?
C10 C11 H11A 110.4 . . ?
C10 C11 H11B 110.4 . . ?
C10 C11 C12 106.5(15) . . ?
H11A C11 H11B 108.6 . . ?
C12 C11 H11A 110.4 . . ?
C12 C11 H11B 110.4 . . ?
N2 C12 C11 97.9(14) . . ?
N2 C12 H12A 112.2 . . ?
N2 C12 H12B 112.2 . . ?
C11 C12 H12A 112.2 . . ?
C11 C12 H12B 112.2 . . ?
H12A C12 H12B 109.8 . . ?
N2 C13 C10 102.7(14) . . ?
N2 C13 H13A 111.2 . . ?
N2 C13 H13B 111.2 . . ?
C10 C13 H13A 111.2 . . ?
C10 C13 H13B 111.2 . . ?
H13A C13 H13B 109.1 . . ?
O3 C14 O4 130(2) . . ?
O3 C14 N2 127(2) . . ?
N2 C14 O4 101.3(15) . . ?
O4 C15 C16 105.6(13) . . ?
O4 C15 C17 110.8(15) . . ?
O4 C15 C18 110.1(14) . . ?
C17 C15 C16 110.2(15) . . ?
C18 C15 C16 110.0(15) . . ?
C18 C15 C17 110.1(14) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

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 S2 C10 C11 -41.8(17) . . . . ?
Ag1 S2 C10 C13 -159.4(14) . . . . ?
Ag2 S1 C1 C2 51.2(15) . . . . ?
Ag2 S1 C1 C4 -69.6(14) . . . . ?
Ag2 S2 C10 C11 49.3(16) . . . . ?
Ag2 S2 C10 C13 -68.3(15) . . . . ?
Ag3 S1 C1 C2 -38.7(16) . . . . ?
Ag3 S1 C1 C4 -159.4(13) . . . . ?
S1 C1 C2 C3 -167.3(14) . . . . ?
S1 C1 C4 N1 159.7(13) . . . . ?
S2 C10 C11 C12 -169.1(15) . . . . ?
S2 C10 C13 N2 158.7(14) . . . . ?
C1 C2 C3 N1 35(2) . . . . ?
C2 C1 C4 N1 30(2) . . . . ?
C3 N1 C4 C1 -8(2) . . . . ?
C3 N1 C5 O1 -4(4) . . . . ?
C3 N1 C5 O2 -179.7(19) . . . . ?
C4 N1 C3 C2 -17(2) . . . . ?
C4 N1 C5 O1 -171(2) . . . . ?
C4 N1 C5 O2 14(3) . . . . ?
C4 C1 C2 C3 -42(2) . . . . ?
C5 O2 C6 C7 178(2) . . . . ?
C5 O2 C6 C8 -64(2) . . . . ?
C5 O2 C6 C9 57(2) . . . . ?
C5 N1 C3 C2 175(2) . . . . ?
C5 N1 C4 C1 159(2) . . . . ?
C6 O2 C5 O1 3(4) . . . . ?
C6 O2 C5 N1 178.1(16) . . . . ?
C10 C11 C12 N2 38(2) . . . . ?
C11 C10 C13 N2 32(2) . . . . ?
C12 N2 C13 C10 -9(3) . . . . ?
C12 N2 C14 O3 -14(4) . . . . ?
C12 N2 C14 O4 178.6(19) . . . . ?
C13 N2 C12 C11 -17(3) . . . . ?
C13 N2 C14 O3 176(3) . . . . ?
C13 N2 C14 O4 8(3) . . . . ?
C13 C10 C11 C12 -45(2) . . . . ?
C14 O4 C15 C16 178.3(19) . . . . ?
C14 O4 C15 C17 -62(2) . . . . ?
C14 O4 C15 C18 60(2) . . . . ?
C14 N2 C12 C11 171(2) . . . . ?
C14 N2 C13 C10 161(2) . . . . ?
C15 O4 C14 O3 13(4) . . . . ?
C15 O4 C14 N2 -179.9(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.388(5)
2 0.612(5)

####################################################################### 
# 
# 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_r-ag5-mof
_database_code_depnum_ccdc_archive 'CCDC 2192034'
loop_
_audit_author_name
_audit_author_address
'Xi-Ming Luo'
;ZhengZhou university
China
;
_audit_update_record             
;
2022-09-26 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
_audit_creation_date             2022-09-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'0.333(C54 H96 Ag5 N6 O12 S6), C36.674 H71.014 Ag3.333 N4 Na O10.833 S4'
_chemical_formula_sum            'C54.67 H103.01 Ag5 N6 Na O14.83 S6'
_chemical_formula_weight         1836.55
_chemical_absolute_configuration syn
_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 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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      trigonal
_space_group_IT_number           143
_space_group_name_H-M_alt        'P 3'
_space_group_name_Hall           'P 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'

_cell_length_a                   46.6686(2)
_cell_length_b                   46.6686(2)
_cell_length_c                   9.21350(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     17378.2(2)
_cell_formula_units_Z            9
_cell_measurement_reflns_used    39424
_cell_measurement_temperature    200
_cell_measurement_theta_max      72.2850
_cell_measurement_theta_min      2.9120
_shelx_estimated_absorpt_T_max   0.584
_shelx_estimated_absorpt_T_min   0.326
_exptl_absorpt_coefficient_mu    12.040
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77977
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.27b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             8403
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -57
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            93957
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.547
_diffrn_reflns_theta_min         1.893
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -44.00  34.00   0.50    0.55    --   45.70 -38.00-120.00  156
  2  ω     21.00 126.00   0.50    0.55    --   45.70  57.00 150.00  210
  3  ω     -1.00  68.00   0.50    0.55    --   45.70 -38.00 -90.00  138
  4  ω     69.00 147.00   0.50    1.30    --  100.10  77.00   0.00  156
  5  ω     12.00 128.00   0.50    1.30    --  100.10 -45.00-150.00  232
  6  ω     26.00 131.00   0.50    1.30    --  100.10 -61.00  30.00  210
  7  ω     32.00 127.00   0.50    1.30    --  100.10 -61.00-150.00  190
  8  ω     84.00 110.00   0.50    1.30    --  100.10  61.00-180.00   52
  9  ω     17.00 188.00   0.50    1.30    --  100.10   0.00 -30.00  342
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0278593000
_diffrn_orient_matrix_UB_12      -0.0065380000
_diffrn_orient_matrix_UB_13      -0.1077435000
_diffrn_orient_matrix_UB_21      0.0073511000
_diffrn_orient_matrix_UB_22      -0.0239776000
_diffrn_orient_matrix_UB_23      -0.0853322000
_diffrn_orient_matrix_UB_31      -0.0249591000
_diffrn_orient_matrix_UB_32      -0.0289046000
_diffrn_orient_matrix_UB_33      0.0952878000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.975
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.969
_reflns_number_gt                38702
_reflns_number_total             41414
_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       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.27b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.397
_refine_diff_density_rms         0.061
_refine_ls_abs_structure_details 
;
 Flack x determined using 15235 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.012(3)
_refine_ls_extinction_coef       0.0000126(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   0.878
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2477
_refine_ls_number_reflns         41414
_refine_ls_number_restraints     469
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0293
_refine_ls_restrained_S_all      0.888
_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)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0637
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.4757(8)
 0.5243(8)
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, All O(H) groups, All O(H,H) groups
3. Restrained distances
 C156-C95 = C154-C95 = C117-C95
 1.53 with sigma of 0.01
 O0AA-C1AA
 1.45 with sigma of 0.01
 O0AA-H0AD
 0.85 with sigma of 0.01
 O45-C0AA
 1.45 with sigma of 0.01
 C2AA-O4AA
 1.45 with sigma of 0.01
 O3AA-C3AA
 1.45 with sigma of 0.01
 O4AA-H4AA
 0.85 with sigma of 0.01
 O3AA-H3AA
 0.85 with sigma of 0.01
 C1AA-H0AD
 1.907035 with sigma of 0.02
 Na1-H0AD
 3.033234 with sigma of 0.02
 C2AA-H4AA
 1.912635 with sigma of 0.02
 Na2-H4AA
 3.126768 with sigma of 0.02
 C3AA-H3AA
 1.896712 with sigma of 0.02
 Na2-H3AA
 2.87461 with sigma of 0.02
4. Rigid bond restraints
 C3AA, C2AA, O4AA, O3AA
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
Uanis(C67) \\sim Ueq, Uanis(C117) \\sim Ueq, Uanis(C120) \\sim Ueq, Uanis(C125)
\\sim Ueq, Uanis(C139) \\sim Ueq, Uanis(C156) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O26) \\sim Ueq, Uanis(O28) \\sim Ueq, Uanis(O32) \\sim Ueq, Uanis(C100)
\\sim Ueq, Uanis(C146) \\sim Ueq, Uanis(C161) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C24) \\sim Ueq, Uanis(C116) \\sim Ueq, Uanis(C147) \\sim Ueq, Uanis(C135)
\\sim Ueq, Uanis(C114) \\sim Ueq, Uanis(C143) \\sim Ueq, Uanis(C123) \\sim Ueq,
Uanis(C158) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(C154)
\\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C117) \\sim Ueq, Uanis(C129) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C66) \\sim Ueq, Uanis(N6) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C61)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O0AA) \\sim Ueq, Uanis(C1AA) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C121) \\sim Ueq, Uanis(C151) \\sim Ueq, Uanis(C136) \\sim Ueq,
Uanis(C146) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C97) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C115) \\sim Ueq, Uanis(C110)
\\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C150) \\sim Ueq, Uanis(C139) \\sim Ueq,
Uanis(C120) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C41) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C2)
\\sim Ueq, Uanis(C67) \\sim Ueq, Uanis(C70) \\sim Ueq, Uanis(C54) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C54) \\sim Ueq, Uanis(C119) \\sim Ueq, Uanis(C110) \\sim Ueq, Uanis(C11)
\\sim Ueq, Uanis(N12) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C54) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(Ag12) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C24) \\sim Ueq, Uanis(C54) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(O9) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C102) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(C51) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(C81)
\\sim Ueq, Uanis(C92) \\sim Ueq, Uanis(C38) \\sim Ueq: with sigma of 0.005 and
sigma for terminal atoms of 0.01
Uanis(C134) \\sim Ueq, Uanis(C159) \\sim Ueq, Uanis(C133) \\sim Ueq,
Uanis(C160) \\sim Ueq, Uanis(C63) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(N8) \\sim Ueq, Uanis(C16) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(O1AA) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(O45) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(O3AA) \\sim Ueq, Uanis(C2AA) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C67) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C2AA) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C3AA) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C67) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C125) \\sim Ueq, Uanis(C117)
\\sim Ueq, Uanis(C156) \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(C154) \\sim Ueq,
Uanis(C98) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C70) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(C127) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C50) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C2AA) \\sim Ueq, Uanis(O3AA) \\sim Ueq, Uanis(O40) \\sim Ueq, Uanis(C148)
\\sim Ueq, Uanis(C149) \\sim Ueq, Uanis(C155) \\sim Ueq: with sigma of 0.005
and sigma for terminal atoms of 0.01
6. Others
 Sof(O1AA)=Sof(H1AA)=Sof(H1AB)=1-FVAR(1)
 Sof(O45)=Sof(H45)=Sof(C0AA)=Sof(H0AA)=Sof(H0AB)=Sof(H0AC)=FVAR(1)
 Sof(C2AA)=Sof(H2AA)=Sof(H2AB)=Sof(H2AC)=Sof(O4AA)=Sof(H4AA)=1-FVAR(2)
 Sof(O3AA)=Sof(H3AA)=Sof(C3AA)=Sof(H3AB)=Sof(H3AC)=Sof(H3AD)=FVAR(2)
 Fixed Sof: O0AA(0.5) H0AD(0.5) C1AA(0.5) H1AC(0.5) H1AD(0.5) H1AE(0.5)
7.a Riding coordinates:
 O38(H38A,H38B), O39(H39A,H39B), O40(H40A,H40B), O41(H41A,H41B), O42(H42A,
 H42B), O45(H45)
7.b Rotating group:
 O36(H36A,H36B), O1AA(H1AA,H1AB)
7.c Ternary CH refined with riding coordinates:
 C3(H3), C44(H44), C14(H14), C15(H15), C17(H17), C18(H18), C32(H32), C33(H33),
 C54(H54), C61(H61), C64(H64), C68(H68), C91(H91), C122(H122), C16(H16),
 C74(H74), C57(H57), C101(H101)
7.d Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C6(H6A,H6B), C8(H8A,H8B), C13(H13T,H13U), C26(H26A,H26B),
 C29(H29A,H29B), C5(H5A,H5B), C7(H7A,H7B), C11(H11A,H11B), C21(H21A,H21B),
 C25(H25A,H25B), C30(H30A,H30B), C34(H34A,H34B), C35(H35A,H35B), C37(H37A,H37B),
  C39(H39C,H39D), C41(H41C,H41D), C47(H47A,H47B), C49(H49A,H49B), C50(H50A,
 H50B), C51(H51A,H51B), C56(H56A,H56B), C65(H65A,H65B), C71(H71A,H71B),
 C73(H73A,H73B), C78(H78A,H78B), C79(H79A,H79B), C81(H81A,H81B), C85(H85A,H85B),
  C86(H86A,H86B), C92(H92A,H92B), C94(H94A,H94B), C110(H11C,H11D), C111(H11E,
 H11F), C113(H11J,H11K), C119(H11X,H11Y), C126(H12M,H12N), C128(H12R,H12S),
 C131(H13D,H13E), C137(H13O,H13P), C142(H14D,H14E), C152(H15D,H15E), C20(H20A,
 H20B), C48(H48A,H48B), C55(H55A,H55B), C69(H69A,H69B), C72(H72A,H72B),
 C138(H13Y,H), C22(H22A,H22B), C38(H38C,H38D), C40(H40C,H40D), C76(H76A,H76B),
 C99(H99A,H99B), C144(H14U,H14V)
7.e Idealised Me refined as rotating group:
 C60(H60A,H60B,H60C), C67(H67A,H67B,H67C), C70(H70A,H70B,H70C), C90(H90A,H90B,
 H90C), C98(H98A,H98B,H98C), C153(H15O,H15P,H15Q), C31(H31A,H31B,H31C),
 C42(H42C,H42D,H42E), C43(H43A,H43B,H43C), C59(H59A,H59B,H59C), C80(H80A,H80B,
 H80C), C82(H82A,H82B,H82C), C84(H84A,H84B,H84C), C87(H87A,H87B,H87C), C89(H89A,
 H89B,H89C), C97(H97A,H97B,H97C), C105(H10A,H10B,H10C), C108(H10D,H10E,H10F),
 C112(H11G,H11H,H11I), C114(H11L,H11M,H11N), C115(H11O,H11P,H11Q), C116(H11R,
 H11S,H11T), C118(H11U,H11V,H11W), C120(H12A,H12B,H12C), C123(H12D,H12E,H12F),
 C124(H12G,H12H,H12I), C125(H12J,H12K,H12L), C127(H12O,H12P,H12Q), C130(H13A,
 H13B,H13C), C133(H13F,H13G,H13H), C134(H13I,H13J,H13K), C135(H13L,H13M,H13N),
 C139(H13Q,H13R,H13S), C141(H14A,H14B,H14C), C147(H14F,H14G,H14H), C148(H14I,
 H14J,H14K), C149(H14L,H14M,H14N), C150(H15A,H15B,H15C), C155(H15F,H15G,H15H),
 C157(H15I,H15J,H15K), C158(H15L,H15M,H15N), C160(H16A,H16B,H16C), C100(H10G,
 H10H,H10I), C136(H13V,H13W,H13X), C146(H14O,H14P,H14Q), C151(H15R,H15S,H15T),
 C159(H15U,H15V,H15W), C161(H16D,H16E,H16F), C103(H10J,H10K,H10L), C117(H11Z,HA,
 HB), C140(H14R,H14S,H14T), C154(H15X,H15Y,HC), C156(H15Z,HD,HE), C162(H16G,
 H16H,H16I), C0AA(H0AA,H0AB,H0AC), C1AA(H1AC,H1AD,H1AE), C2AA(H2AA,H2AB,H2AC),
 C3AA(H3AB,H3AC,H3AD)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.333333 0.666667 1.47997(17) 0.0296(3) Uani 1 3 d S T P . .
Ag3 Ag 0.30017(2) 0.60906(2) 1.22946(11) 0.03647(18) Uani 1 1 d . . . . .
Ag5 Ag 0.333333 0.666667 0.97521(17) 0.0316(3) Uani 1 3 d S T P . .
S1 S 0.30142(7) 0.60568(7) 0.9739(4) 0.0340(7) Uani 1 1 d . . . . .
S7 S 0.29621(6) 0.60629(7) 1.4863(3) 0.0327(6) Uani 1 1 d . . . . .
O3 O 0.29486(18) 0.49081(15) 1.4930(8) 0.0367(16) Uani 1 1 d . . . . .
O10 O 0.17975(19) 0.4977(2) 0.9748(9) 0.0422(19) Uani 1 1 d . . . . .
O14 O 0.14760(19) 0.5211(2) 0.9418(11) 0.056(2) Uani 1 1 d . . . . .
O17 O 0.3498(2) 0.5083(2) 1.4959(10) 0.048(2) Uani 1 1 d . . . . .
N1 N 0.2030(2) 0.5519(2) 0.9502(9) 0.0306(18) Uani 1 1 d . . . . .
N2 N 0.3310(2) 0.54401(19) 1.5031(9) 0.0294(17) Uani 1 1 d . . . . .
C1 C 0.2363(2) 0.5555(3) 0.9588(13) 0.032(2) Uani 1 1 d . . . . .
H1A H 0.238371 0.540148 0.891181 0.038 Uiso 1 1 calc R U . . .
H1B H 0.241268 0.551426 1.058622 0.038 Uiso 1 1 calc R U . . .
C2 C 0.1526(3) 0.4631(3) 0.9760(13) 0.049(3) Uani 1 1 d . U . . .
C3 C 0.2582(2) 0.5905(3) 0.9153(13) 0.034(2) Uani 1 1 d . . . . .
H3 H 0.257926 0.591725 0.806985 0.040 Uiso 1 1 calc R U . . .
C6 C 0.3555(3) 0.6016(3) 1.4732(13) 0.036(2) Uani 1 1 d . . . . .
H6A H 0.355038 0.605263 1.367579 0.044 Uiso 1 1 calc R U . . .
H6B H 0.371900 0.622632 1.519731 0.044 Uiso 1 1 calc R U . . .
C8 C 0.2406(3) 0.6081(3) 0.9764(16) 0.044(3) Uani 1 1 d . . . . .
H8A H 0.243784 0.611222 1.082625 0.052 Uiso 1 1 calc R U . . .
H8B H 0.248488 0.629789 0.929196 0.052 Uiso 1 1 calc R U . . .
C12 C 0.1745(3) 0.5234(3) 0.9529(13) 0.039(2) Uani 1 1 d . . . . .
C13 C 0.3633(3) 0.5743(3) 1.5037(13) 0.037(2) Uani 1 1 d . . . . .
H13T H 0.377880 0.573460 1.427403 0.045 Uiso 1 1 calc R U . . .
H13U H 0.374325 0.577538 1.599052 0.045 Uiso 1 1 calc R U . . .
C26 C 0.3036(2) 0.5508(2) 1.5014(12) 0.029(2) Uani 1 1 d . . . . .
H26A H 0.286456 0.537029 1.573538 0.035 Uiso 1 1 calc R U . . .
H26B H 0.293301 0.546774 1.404016 0.035 Uiso 1 1 calc R U . . .
C28 C 0.3273(3) 0.5138(3) 1.4982(12) 0.034(2) Uani 1 1 d . U . . .
C29 C 0.2048(3) 0.5839(3) 0.9384(14) 0.042(3) Uani 1 1 d . . . . .
H29A H 0.189561 0.585698 1.007565 0.050 Uiso 1 1 calc R U . . .
H29B H 0.199554 0.587759 0.838702 0.050 Uiso 1 1 calc R U . . .
C44 C 0.3207(3) 0.5878(3) 1.5419(12) 0.031(2) Uani 1 1 d . . . . .
H44 H 0.323330 0.589787 1.649826 0.037 Uiso 1 1 calc R U . . .
C45 C 0.2837(3) 0.4549(2) 1.4946(13) 0.039(2) Uani 1 1 d . . . . .
C60 C 0.2955(4) 0.4465(3) 1.6311(14) 0.067(4) Uani 1 1 d . . . . .
H60A H 0.319598 0.456705 1.628324 0.101 Uiso 1 1 calc R U . . .
H60B H 0.285422 0.422423 1.638781 0.101 Uiso 1 1 calc R U . . .
H60C H 0.289034 0.454853 1.715309 0.101 Uiso 1 1 calc R U . . .
C67 C 0.1341(5) 0.4549(4) 0.8325(16) 0.091(5) Uani 1 1 d . U . . .
H67A H 0.121053 0.465991 0.827311 0.137 Uiso 1 1 calc R U . . .
H67B H 0.119401 0.430906 0.825350 0.137 Uiso 1 1 calc R U . . .
H67C H 0.150067 0.462454 0.752356 0.137 Uiso 1 1 calc R U . . .
C70 C 0.1304(4) 0.4571(4) 1.1003(15) 0.075(4) Uani 1 1 d . U . . .
H70A H 0.143512 0.465205 1.189391 0.113 Uiso 1 1 calc R U . . .
H70B H 0.114792 0.433342 1.109157 0.113 Uiso 1 1 calc R U . . .
H70C H 0.118109 0.468835 1.084952 0.113 Uiso 1 1 calc R U . . .
C90 C 0.2966(3) 0.4463(3) 1.3610(14) 0.055(3) Uani 1 1 d . . . . .
H90A H 0.285743 0.448815 1.274552 0.082 Uiso 1 1 calc R U . . .
H90B H 0.291797 0.423415 1.367993 0.082 Uiso 1 1 calc R U . . .
H90C H 0.320523 0.461209 1.353632 0.082 Uiso 1 1 calc R U . . .
C98 C 0.1712(5) 0.4443(4) 0.998(2) 0.085(5) Uani 1 1 d . U . . .
H98A H 0.183826 0.446015 0.910348 0.127 Uiso 1 1 calc R U . . .
H98B H 0.155303 0.420915 1.017592 0.127 Uiso 1 1 calc R U . . .
H98C H 0.186332 0.453726 1.080581 0.127 Uiso 1 1 calc R U . . .
C153 C 0.2462(3) 0.4396(3) 1.487(2) 0.087(5) Uani 1 1 d . . . . .
H15O H 0.238529 0.446877 1.570268 0.130 Uiso 1 1 calc R U . . .
H15P H 0.235810 0.415460 1.487512 0.130 Uiso 1 1 calc R U . . .
H15Q H 0.240320 0.446701 1.396836 0.130 Uiso 1 1 calc R U . . .
Ag2 Ag 0.33412(2) 0.33755(2) 0.99900(11) 0.0317(2) Uani 1 1 d . . . . .
Ag4 Ag 0.33249(2) 0.33795(2) 1.50243(11) 0.03122(19) Uani 1 1 d . . . . .
Ag6 Ag 0.30325(3) 0.28004(2) 1.24965(12) 0.03423(18) Uani 1 1 d . . . . .
Ag7 Ag 0.39086(2) 0.36588(2) 1.26535(10) 0.03282(19) Uani 1 1 d . . . . .
Ag8 Ag 0.30487(3) 0.36661(2) 1.23637(11) 0.0374(2) Uani 1 1 d . . . . .
Ag9 Ag 0.33277(2) 0.00308(2) 1.51669(12) 0.0328(2) Uani 1 1 d . . . . .
Ag10 Ag 0.05382(2) 0.35890(2) 1.24915(11) 0.03336(19) Uani 1 1 d . . . . .
Ag12 Ag 0.39114(2) 0.03326(2) 1.27700(11) 0.0366(2) Uani 1 1 d . U . . .
Ag13 Ag 0.33398(2) 0.00517(2) 1.01297(11) 0.03149(19) Uani 1 1 d . . . . .
Ag15 Ag 0.30551(3) 0.03402(2) 1.26631(13) 0.03684(19) Uani 1 1 d . . . . .
S2 S 0.39547(7) 0.36781(8) 1.0092(4) 0.0293(6) Uani 1 1 d . . . . .
S3 S 0.30116(7) 0.27587(7) 0.9929(4) 0.0307(7) Uani 1 1 d . . . . .
S4 S 0.30305(7) 0.36781(7) 0.9786(4) 0.0335(7) Uani 1 1 d . . . . .
S5 S 0.05588(6) 0.35952(7) 0.9913(4) 0.0297(6) Uani 1 1 d . . . . .
S6 S 0.30120(7) 0.36734(7) 1.4925(4) 0.0327(6) Uani 1 1 d . . . . .
S8 S 0.39521(7) 0.03399(8) 1.0205(4) 0.0338(7) Uani 1 1 d . . . . .
S11 S 0.30431(7) 0.03649(7) 1.0088(4) 0.0331(7) Uani 1 1 d . . . . .
S12 S 0.30222(7) 0.27670(7) 1.5067(4) 0.0311(6) Uani 1 1 d . . . . .
S13 S 0.39328(7) 0.36743(7) 1.5225(4) 0.0294(6) Uani 1 1 d . . . . .
S14 S 0.39415(7) 0.03413(7) 1.5331(4) 0.0348(7) Uani 1 1 d . . . . .
S16 S 0.05819(7) 0.36127(7) 1.5052(4) 0.0307(7) Uani 1 1 d . . . . .
S17 S 0.30435(7) 0.03588(7) 1.5236(4) 0.0334(7) Uani 1 1 d . . . . .
Na1 Na 0.43479(10) 0.22637(9) 0.9447(5) 0.0475(10) Uani 1 1 d D . . . .
Na2 Na 0.12108(10) 0.23500(11) 0.9280(5) 0.0485(10) Uani 1 1 d D . . . .
Na3 Na 0.45855(10) 0.55659(10) 1.5713(6) 0.0501(11) Uani 1 1 d . . . . .
O1 O 0.15774(17) 0.49086(17) 1.4497(9) 0.0368(16) Uani 1 1 d . . . . .
O2 O 0.3192(2) 0.4903(2) 1.0109(10) 0.043(2) Uani 1 1 d . . . . .
O4 O 0.3741(2) 0.5220(2) 0.9470(12) 0.062(3) Uani 1 1 d . . . . .
O5 O 0.1280(2) 0.51579(18) 1.5135(10) 0.050(2) Uani 1 1 d . . . . .
O6 O 0.49762(19) 0.0089(2) 1.0390(9) 0.0354(18) Uani 1 1 d . . . . .
O7 O 0.50226(19) 0.48769(19) 1.5281(9) 0.0404(19) Uani 1 1 d . . . . .
O8 O 0.17365(17) 0.34228(18) 1.4697(8) 0.0340(16) Uani 1 1 d . . . . .
O9 O 0.32283(19) 0.16059(18) 1.0020(9) 0.0367(18) Uani 1 1 d . U . . .
O11 O 0.16419(18) 0.3478(2) 0.9783(8) 0.0398(18) Uani 1 1 d . . . . .
O12 O 0.17998(18) 0.0182(2) 1.4948(9) 0.0414(18) Uani 1 1 d . . . . .
O13 O 0.3230(2) 0.17220(18) 1.4959(9) 0.0367(18) Uani 1 1 d . . . . .
O15 O 0.50180(17) 0.15628(19) 1.5139(9) 0.044(2) Uani 1 1 d . . . . .
O16 O 0.49385(16) 0.33646(17) 1.0665(8) 0.0338(15) Uani 1 1 d . . . . .
O19 O 0.46408(18) 0.28214(18) 1.0058(9) 0.0450(19) Uani 1 1 d . . . . .
O21 O 0.4795(2) 0.5211(2) 1.5312(10) 0.052(2) Uani 1 1 d . . . . .
O22 O 0.3793(2) 0.19091(19) 0.9971(11) 0.050(2) Uani 1 1 d . . . . .
O23 O 0.14666(16) 0.20482(18) 0.9900(10) 0.0487(19) Uani 1 1 d . . . . .
O24 O 0.17279(16) 0.17620(17) 1.0492(8) 0.0336(15) Uani 1 1 d . . . . .
O25 O 0.1418(2) 0.2916(3) 0.9710(10) 0.052(2) Uani 1 1 d . . . . .
O26 O 0.15021(19) -0.0362(2) 1.5565(11) 0.057(2) Uani 1 1 d . U . . .
O28 O 0.4785(2) 0.18761(19) 1.5648(12) 0.061(3) Uani 1 1 d . U . . .
O30 O 0.4683(2) -0.0469(2) 1.0367(13) 0.066(3) Uani 1 1 d . . . . .
O31 O 0.14687(19) 0.2861(2) 1.4717(13) 0.068(3) Uani 1 1 d . . . . .
O32 O 0.3793(2) 0.1991(2) 1.5015(13) 0.064(3) Uani 1 1 d . U . . .
O36 O 0.14159(19) 0.24014(19) 0.6945(9) 0.058(2) Uani 1 1 d . . . . .
H36A H 0.129514 0.243880 0.629750 0.088 Uiso 1 1 d R U . . .
H36B H 0.139470 0.220997 0.662774 0.088 Uiso 1 1 d R U . . .
O38 O 0.42767(17) 0.24098(19) 0.7135(8) 0.0554(19) Uani 1 1 d . . . . .
H38A H 0.414465 0.228686 0.647748 0.083 Uiso 1 1 d R U . . .
H38B H 0.446565 0.250326 0.673108 0.083 Uiso 1 1 d R U . . .
O39 O 0.4606(3) 0.2013(3) 0.8427(13) 0.106(4) Uani 1 1 d . . . . .
H39A H 0.465862 0.198902 0.757076 0.160 Uiso 1 1 d R U . . .
H39B H 0.461692 0.186512 0.892076 0.160 Uiso 1 1 d R U . . .
O40 O 0.0699(2) 0.2085(3) 0.8277(12) 0.091(3) Uani 1 1 d . U . . .
H40A H 0.060591 0.196992 0.751653 0.136 Uiso 1 1 d R U . . .
H40B H 0.055281 0.199262 0.894463 0.136 Uiso 1 1 d R U . . .
O41 O 0.4788(2) 0.5717(2) 1.8086(9) 0.056(2) Uani 1 1 d . . . . .
H41A H 0.474025 0.584014 1.865833 0.084 Uiso 1 1 d R U . . .
H41B H 0.481445 0.558774 1.871673 0.084 Uiso 1 1 d R U . . .
O42 O 0.4066(2) 0.5338(3) 1.6645(13) 0.088(3) Uani 1 1 d . . . . .
H42A H 0.400579 0.539553 1.741308 0.132 Uiso 1 1 d R U . . .
H42B H 0.389239 0.516163 1.637018 0.132 Uiso 1 1 d R U . . .
N3 N 0.1040(2) 0.4601(2) 1.4943(10) 0.0319(19) Uani 1 1 d . U . . .
N4 N 0.3488(2) 0.4664(2) 0.9731(12) 0.040(2) Uani 1 1 d . . . . .
N5 N 0.2024(2) 0.3164(2) 1.4758(10) 0.034(2) Uani 1 1 d . . . . .
N6 N 0.4476(2) 0.4652(2) 1.5318(10) 0.031(2) Uani 1 1 d . U . . .
N7 N 0.1102(2) 0.3156(2) 0.9754(10) 0.034(2) Uani 1 1 d . . . . .
N8 N 0.3514(2) 0.1351(2) 0.9993(11) 0.031(2) Uani 1 1 d . U . . .
N9 N 0.3504(2) 0.2265(2) 1.5028(11) 0.036(2) Uani 1 1 d . . . . .
N12 N 0.4427(2) -0.0170(2) 1.0289(12) 0.035(2) Uani 1 1 d . U . . .
N13 N 0.2023(2) 0.2297(2) 1.0030(11) 0.036(2) Uani 1 1 d . . . . .
N15 N 0.4480(2) 0.1320(2) 1.5439(13) 0.044(3) Uani 1 1 d . . . . .
N16 N 0.4406(2) 0.3139(2) 1.0223(10) 0.032(2) Uani 1 1 d . . . . .
N18 N 0.2059(2) -0.0101(2) 1.5306(12) 0.040(2) Uani 1 1 d . . . . .
C4 C 0.1298(3) 0.4912(3) 1.4879(12) 0.037(2) Uani 1 1 d . . . . .
C5 C 0.2336(2) 0.3475(2) 1.4837(11) 0.027(2) Uani 1 1 d . . . . .
H5A H 0.232667 0.362528 1.557160 0.032 Uiso 1 1 calc R U . . .
H5B H 0.239603 0.358884 1.388460 0.032 Uiso 1 1 calc R U . . .
C7 C 0.3199(2) 0.4337(3) 0.9900(13) 0.030(2) Uani 1 1 d . . . . .
H7A H 0.300664 0.431939 0.936499 0.036 Uiso 1 1 calc R U . . .
H7B H 0.313864 0.428561 1.093667 0.036 Uiso 1 1 calc R U . . .
C9 C 0.4695(3) -0.0208(3) 1.0350(13) 0.034(2) Uani 1 1 d . . . . .
C10 C 0.3495(3) 0.4950(3) 0.9702(13) 0.038(3) Uani 1 1 d . . . . .
C11 C 0.4421(2) 0.0140(3) 1.0230(12) 0.026(2) Uani 1 1 d . U . . .
H11A H 0.458067 0.029298 0.950264 0.032 Uiso 1 1 calc R U . . .
H11B H 0.447385 0.025062 1.118824 0.032 Uiso 1 1 calc R U . . .
C14 C 0.3342(3) 0.0792(2) 0.9645(13) 0.031(2) Uani 1 1 d . U . . .
H14 H 0.338215 0.080155 0.857555 0.037 Uiso 1 1 calc R U . . .
C15 C 0.2580(2) 0.2618(3) 0.9502(13) 0.032(2) Uani 1 1 d . . . . .
H15 H 0.255792 0.258285 0.842820 0.039 Uiso 1 1 calc R U . . .
C17 C 0.3321(3) 0.2636(3) 1.5511(14) 0.034(2) Uani 1 1 d . . . . .
H17 H 0.335574 0.265447 1.658568 0.041 Uiso 1 1 calc R U . . .
C18 C 0.0696(3) 0.3307(3) 0.9439(13) 0.033(2) Uani 1 1 d . . . . .
H18 H 0.066284 0.326585 0.837046 0.040 Uiso 1 1 calc R U . . .
C19 C 0.1901(2) 0.5221(3) 1.4404(11) 0.037(2) Uani 1 1 d . . . . .
C21 C 0.2443(3) 0.2850(3) 0.9860(17) 0.047(3) Uani 1 1 d . . . . .
H21A H 0.249885 0.293549 1.086380 0.056 Uiso 1 1 calc R U . . .
H21B H 0.252792 0.303822 0.917477 0.056 Uiso 1 1 calc R U . . .
C23 C 0.1425(3) 0.3435(3) 1.4746(12) 0.038(3) Uani 1 1 d . . . . .
C24 C 0.3185(3) 0.1902(3) 1.0040(14) 0.040(3) Uani 1 1 d . U . . .
C25 C 0.4165(3) 0.4647(3) 1.5281(14) 0.037(2) Uani 1 1 d . . . . .
H25A H 0.416040 0.478860 1.449135 0.044 Uiso 1 1 calc R U . . .
H25B H 0.411902 0.472046 1.621754 0.044 Uiso 1 1 calc R U . . .
C27 C 0.3127(4) 0.5186(3) 1.0135(14) 0.051(3) Uani 1 1 d . . . . .
C30 C 0.1041(2) 0.4295(2) 1.4789(12) 0.032(2) Uani 1 1 d . . . . .
H30A H 0.123811 0.430805 1.525897 0.039 Uiso 1 1 calc R U . . .
H30B H 0.103802 0.423695 1.375286 0.039 Uiso 1 1 calc R U . . .
C31 C 0.1996(3) 0.5366(4) 1.5925(13) 0.066(4) Uani 1 1 d . . . . .
H31A H 0.182519 0.540819 1.630896 0.099 Uiso 1 1 calc R U . . .
H31B H 0.220812 0.557411 1.588642 0.099 Uiso 1 1 calc R U . . .
H31C H 0.201787 0.520900 1.655745 0.099 Uiso 1 1 calc R U . . .
C32 C 0.0717(3) 0.4036(3) 1.5569(13) 0.031(2) Uani 1 1 d . . . . .
H32 H 0.075849 0.405793 1.663897 0.037 Uiso 1 1 calc R U . . .
C33 C 0.2583(3) 0.3361(3) 1.5290(13) 0.036(3) Uani 1 1 d . . . . .
H33 H 0.256184 0.332591 1.636435 0.043 Uiso 1 1 calc R U . . .
C34 C 0.2381(3) 0.0198(3) 1.5142(13) 0.036(3) Uani 1 1 d . . . . .
H34A H 0.239307 0.038394 1.570550 0.043 Uiso 1 1 calc R U . . .
H34B H 0.243043 0.026331 1.411014 0.043 Uiso 1 1 calc R U . . .
C35 C 0.3665(3) 0.4280(3) 0.979(2) 0.067(5) Uani 1 1 d . . . . .
H35A H 0.367981 0.424343 1.083719 0.080 Uiso 1 1 calc R U . . .
H35B H 0.379222 0.419768 0.923729 0.080 Uiso 1 1 calc R U . . .
C36 C 0.1992(3) 0.3561(4) 0.9805(12) 0.049(3) Uani 1 1 d . . . . .
C37 C 0.0544(3) 0.2969(3) 1.0195(16) 0.042(3) Uani 1 1 d . . . . .
H37A H 0.052905 0.299198 1.125591 0.051 Uiso 1 1 calc R U . . .
H37B H 0.032029 0.281595 0.981007 0.051 Uiso 1 1 calc R U . . .
C39 C 0.4444(3) 0.4326(2) 1.5378(11) 0.028(2) Uani 1 1 d . U . . .
H39C H 0.458390 0.431311 1.615279 0.034 Uiso 1 1 calc R U . . .
H39D H 0.450316 0.426637 1.443780 0.034 Uiso 1 1 calc R U . . .
C41 C 0.3200(3) 0.2282(2) 1.5080(12) 0.031(2) Uani 1 1 d . U . . .
H41C H 0.304441 0.212602 1.580884 0.037 Uiso 1 1 calc R U . . .
H41D H 0.309034 0.223137 1.412086 0.037 Uiso 1 1 calc R U . . .
C42 C 0.3358(5) 0.5444(4) 1.1242(15) 0.068(4) Uani 1 1 d . . . . .
H42C H 0.332335 0.533972 1.219938 0.102 Uiso 1 1 calc R U . . .
H42D H 0.330916 0.562464 1.129085 0.102 Uiso 1 1 calc R U . . .
H42E H 0.358840 0.553099 1.094374 0.102 Uiso 1 1 calc R U . . .
C43 C 0.2125(3) 0.5097(3) 1.3854(19) 0.067(4) Uani 1 1 d . . . . .
H43A H 0.213276 0.494543 1.456822 0.101 Uiso 1 1 calc R U . . .
H43B H 0.234888 0.528533 1.370852 0.101 Uiso 1 1 calc R U . . .
H43C H 0.203989 0.498098 1.293158 0.101 Uiso 1 1 calc R U . . .
C46 C 0.1721(3) 0.3130(3) 1.4752(12) 0.038(2) Uani 1 1 d . . . . .
C47 C 0.3788(3) 0.4645(3) 0.946(2) 0.064(4) Uani 1 1 d . . . . .
H47A H 0.397082 0.479233 1.011456 0.077 Uiso 1 1 calc R U . . .
H47B H 0.386272 0.470008 0.843785 0.077 Uiso 1 1 calc R U . . .
C49 C 0.1065(2) 0.3452(2) 0.9748(11) 0.027(2) Uani 1 1 d . . . . .
H49A H 0.120157 0.360963 0.897902 0.032 Uiso 1 1 calc R U . . .
H49B H 0.112588 0.356644 1.069820 0.032 Uiso 1 1 calc R U . . .
C50 C 0.2442(3) 0.3026(3) 1.4604(18) 0.057(4) Uani 1 1 d . U . . .
H50A H 0.251877 0.289009 1.511684 0.068 Uiso 1 1 calc R U . . .
H50B H 0.250767 0.304535 1.357104 0.068 Uiso 1 1 calc R U . . .
C51 C 0.4414(2) 0.3458(2) 1.0342(11) 0.027(2) Uani 1 1 d . U . . .
H51A H 0.460510 0.363522 0.981397 0.032 Uiso 1 1 calc R U . . .
H51B H 0.442278 0.352448 1.136934 0.032 Uiso 1 1 calc R U . . .
C52 C 0.5301(3) 0.0107(3) 1.0374(12) 0.034(2) Uani 1 1 d . . . . .
C53 C 0.5368(3) 0.5155(3) 1.5271(13) 0.048(3) Uani 1 1 d . . . . .
C54 C 0.4076(3) 0.0032(3) 0.9798(13) 0.035(3) Uani 1 1 d . U . . .
H54 H 0.405409 -0.001129 0.872862 0.042 Uiso 1 1 calc R U . . .
C56 C 0.3916(3) 0.4277(3) 1.4993(14) 0.041(3) Uani 1 1 d . . . . .
H56A H 0.369810 0.420970 1.542981 0.049 Uiso 1 1 calc R U . . .
H56B H 0.388804 0.422903 1.393921 0.049 Uiso 1 1 calc R U . . .
C58 C 0.1392(3) 0.3162(3) 0.9753(10) 0.030(2) Uani 1 1 d . . . . .
C59 C 0.2063(3) 0.3420(5) 0.8426(14) 0.075(5) Uani 1 1 d . . . . .
H59A H 0.192701 0.317864 0.843100 0.112 Uiso 1 1 calc R U . . .
H59B H 0.229750 0.348473 0.840015 0.112 Uiso 1 1 calc R U . . .
H59C H 0.200924 0.350862 0.756729 0.112 Uiso 1 1 calc R U . . .
C61 C 0.4076(2) 0.4102(2) 1.5714(11) 0.025(2) Uani 1 1 d . U . . .
H61 H 0.404655 0.411011 1.678618 0.030 Uiso 1 1 calc R U . . .
C63 C 0.5260(2) 0.3374(3) 1.0717(12) 0.039(2) Uani 1 1 d . U . . .
C64 C 0.3305(3) 0.4113(3) 0.9278(14) 0.036(3) Uani 1 1 d . . . . .
H64 H 0.330369 0.413010 0.819611 0.043 Uiso 1 1 calc R U . . .
C65 C 0.2338(2) 0.2297(2) 1.0169(13) 0.031(2) Uani 1 1 d . . . . .
H65A H 0.233061 0.210873 0.963619 0.038 Uiso 1 1 calc R U . . .
H65B H 0.239264 0.228625 1.119894 0.038 Uiso 1 1 calc R U . . .
C66 C 0.4773(3) 0.4943(3) 1.5319(12) 0.036(3) Uani 1 1 d . U . . .
C68 C 0.4093(3) 0.0765(3) 1.5885(13) 0.033(2) Uani 1 1 d . . . . .
H68 H 0.410048 0.077028 1.696963 0.039 Uiso 1 1 calc R U . . .
C71 C 0.2068(3) 0.2873(3) 1.4746(19) 0.061(4) Uani 1 1 d . . . . .
H71A H 0.195181 0.272614 1.391239 0.073 Uiso 1 1 calc R U . . .
H71B H 0.198628 0.274434 1.565658 0.073 Uiso 1 1 calc R U . . .
C73 C 0.0783(3) 0.2847(3) 0.9839(15) 0.043(3) Uani 1 1 d . . . . .
H73A H 0.078377 0.270025 1.061224 0.052 Uiso 1 1 calc R U . . .
H73B H 0.072596 0.272674 0.890236 0.052 Uiso 1 1 calc R U . . .
C75 C 0.1510(3) 0.0224(3) 1.4903(13) 0.043(3) Uani 1 1 d . . . . .
C77 C 0.5358(3) 0.1844(3) 1.5105(13) 0.043(3) Uani 1 1 d . . . . .
C78 C 0.3216(3) 0.1026(3) 0.9968(12) 0.031(2) Uani 1 1 d . U . . .
H78A H 0.306142 0.101412 0.920283 0.037 Uiso 1 1 calc R U . . .
H78B H 0.310109 0.097397 1.091667 0.037 Uiso 1 1 calc R U . . .
C79 C 0.3859(3) 0.3022(3) 0.9999(18) 0.050(3) Uani 1 1 d . . . . .
H79A H 0.377424 0.299551 1.100397 0.060 Uiso 1 1 calc R U . . .
H79B H 0.366971 0.292132 0.931688 0.060 Uiso 1 1 calc R U . . .
C80 C 0.1892(3) 0.5461(3) 1.3393(15) 0.063(4) Uani 1 1 d . . . . .
H80A H 0.174753 0.534255 1.257113 0.094 Uiso 1 1 calc R U . . .
H80B H 0.211596 0.561214 1.303799 0.094 Uiso 1 1 calc R U . . .
H80C H 0.180638 0.558768 1.389647 0.094 Uiso 1 1 calc R U . . .
C81 C 0.0497(3) 0.4177(3) 1.5205(14) 0.036(2) Uani 1 1 d . U . . .
H81A H 0.030809 0.409267 1.588718 0.043 Uiso 1 1 calc R U . . .
H81B H 0.040998 0.411565 1.420462 0.043 Uiso 1 1 calc R U . . .
C82 C 0.1554(4) 0.3799(4) 1.464(2) 0.087(5) Uani 1 1 d . U . . .
H82A H 0.161674 0.389831 1.560553 0.130 Uiso 1 1 calc R U . . .
H82B H 0.138124 0.383739 1.423918 0.130 Uiso 1 1 calc R U . . .
H82C H 0.174740 0.389888 1.399903 0.130 Uiso 1 1 calc R U . . .
C83 C 0.1418(2) 0.1433(2) 1.0539(10) 0.037(2) Uani 1 1 d . . . . .
C84 C 0.5556(4) 0.4969(5) 1.526(2) 0.099(7) Uani 1 1 d . . . . .
H84A H 0.548744 0.481756 1.608790 0.149 Uiso 1 1 calc R U . . .
H84B H 0.579416 0.512689 1.532462 0.149 Uiso 1 1 calc R U . . .
H84C H 0.550935 0.484265 1.435510 0.149 Uiso 1 1 calc R U . . .
C85 C 0.3799(3) 0.2591(3) 1.5017(18) 0.053(4) Uani 1 1 d . . . . .
H85A H 0.394904 0.261218 1.421265 0.064 Uiso 1 1 calc R U . . .
H85B H 0.392000 0.263805 1.594795 0.064 Uiso 1 1 calc R U . . .
C86 C 0.3653(3) 0.2818(2) 1.4790(16) 0.041(3) Uani 1 1 d . . . . .
H86A H 0.379374 0.303629 1.525208 0.049 Uiso 1 1 calc R U . . .
H86B H 0.363054 0.285111 1.374435 0.049 Uiso 1 1 calc R U . . .
C87 C 0.5434(4) 0.5355(4) 1.3913(14) 0.067(5) Uani 1 1 d . . . . .
H87A H 0.539908 0.521387 1.306617 0.101 Uiso 1 1 calc R U . . .
H87B H 0.566251 0.553846 1.391892 0.101 Uiso 1 1 calc R U . . .
H87C H 0.528198 0.544238 1.386540 0.101 Uiso 1 1 calc R U . . .
C89 C 0.3177(5) 0.5329(4) 0.8652(14) 0.068(4) Uani 1 1 d . . . . .
H89A H 0.341274 0.543887 0.840246 0.102 Uiso 1 1 calc R U . . .
H89B H 0.310129 0.549027 0.862552 0.102 Uiso 1 1 calc R U . . .
H89C H 0.305040 0.515184 0.795178 0.102 Uiso 1 1 calc R U . . .
C91 C 0.4091(3) 0.3382(3) 0.9641(13) 0.029(2) Uani 1 1 d . . . . .
H91 H 0.412703 0.339509 0.856797 0.034 Uiso 1 1 calc R U . . .
C92 C 0.3678(3) 0.0957(3) 1.0382(14) 0.040(3) Uani 1 1 d . U . . .
H92A H 0.365532 0.091235 1.143874 0.048 Uiso 1 1 calc R U . . .
H92B H 0.382179 0.087800 0.996503 0.048 Uiso 1 1 calc R U . . .
C94 C 0.0715(3) 0.4552(3) 1.5346(18) 0.054(4) Uani 1 1 d . . . . .
H94A H 0.064312 0.466920 1.467364 0.065 Uiso 1 1 calc R U . . .
H94B H 0.071472 0.462639 1.635120 0.065 Uiso 1 1 calc R U . . .
C97 C 0.5334(4) -0.0042(5) 0.8940(13) 0.067(4) Uani 1 1 d . U . . .
H97A H 0.514945 -0.026933 0.884753 0.100 Uiso 1 1 calc R U . . .
H97B H 0.554344 -0.004205 0.892814 0.100 Uiso 1 1 calc R U . . .
H97C H 0.532831 0.009102 0.812767 0.100 Uiso 1 1 calc R U . . .
C102 C 0.3534(3) 0.1642(3) 0.9969(13) 0.036(3) Uani 1 1 d . U . . .
C105 C 0.1216(3) 0.3265(4) 1.3451(12) 0.062(4) Uani 1 1 d . . . . .
H10A H 0.135006 0.334956 1.256858 0.092 Uiso 1 1 calc R U . . .
H10B H 0.103119 0.330880 1.340474 0.092 Uiso 1 1 calc R U . . .
H10C H 0.112949 0.302667 1.352827 0.092 Uiso 1 1 calc R U . . .
C106 C 0.4663(2) 0.3087(2) 1.0306(10) 0.030(2) Uani 1 1 d . . . . .
C107 C 0.1762(2) -0.0115(3) 1.5271(12) 0.034(2) Uani 1 1 d . . . . .
C108 C 0.2066(3) 0.3422(4) 1.1164(15) 0.065(4) Uani 1 1 d . . . . .
H10D H 0.200930 0.350643 1.202726 0.098 Uiso 1 1 calc R U . . .
H10E H 0.230190 0.349157 1.118870 0.098 Uiso 1 1 calc R U . . .
H10F H 0.193446 0.318030 1.114941 0.098 Uiso 1 1 calc R U . . .
C110 C 0.4093(3) -0.0456(3) 1.0333(19) 0.057(3) Uani 1 1 d . U . . .
H11C H 0.407012 -0.060844 1.112966 0.068 Uiso 1 1 calc R U . . .
H11D H 0.403595 -0.057837 0.940233 0.068 Uiso 1 1 calc R U . . .
C111 C 0.4450(3) 0.0998(3) 1.5331(14) 0.036(3) Uani 1 1 d . . . . .
H11E H 0.461552 0.098320 1.595049 0.043 Uiso 1 1 calc R U . . .
H11F H 0.447729 0.094640 1.431558 0.043 Uiso 1 1 calc R U . . .
C112 C 0.2179(3) 0.3928(4) 0.985(2) 0.083(5) Uani 1 1 d . . . . .
H11G H 0.214694 0.401663 0.894231 0.124 Uiso 1 1 calc R U . . .
H11H H 0.241529 0.400621 0.998868 0.124 Uiso 1 1 calc R U . . .
H11I H 0.209885 0.400498 1.066525 0.124 Uiso 1 1 calc R U . . .
C113 C 0.4078(3) 0.2875(3) 0.9823(17) 0.049(3) Uani 1 1 d . . . . .
H11J H 0.400578 0.268169 1.046902 0.059 Uiso 1 1 calc R U . . .
H11K H 0.407499 0.280495 0.880710 0.059 Uiso 1 1 calc R U . . .
C114 C 0.3369(4) 0.1346(3) 1.3707(14) 0.064(4) Uani 1 1 d . U . . .
H11L H 0.327807 0.137824 1.280374 0.096 Uiso 1 1 calc R U . . .
H11M H 0.334280 0.112417 1.371549 0.096 Uiso 1 1 calc R U . . .
H11N H 0.360492 0.151201 1.377261 0.096 Uiso 1 1 calc R U . . .
C115 C 0.5346(3) -0.0063(4) 1.1636(15) 0.064(4) Uani 1 1 d . U . . .
H11O H 0.526087 -0.001193 1.251126 0.096 Uiso 1 1 calc R U . . .
H11P H 0.558171 0.001239 1.176229 0.096 Uiso 1 1 calc R U . . .
H11Q H 0.522470 -0.030280 1.147073 0.096 Uiso 1 1 calc R U . . .
C116 C 0.3336(4) 0.2106(3) 0.8688(12) 0.050(3) Uani 1 1 d . U . . .
H11R H 0.357733 0.223192 0.878894 0.074 Uiso 1 1 calc R U . . .
H11S H 0.325190 0.225897 0.855427 0.074 Uiso 1 1 calc R U . . .
H11T H 0.327663 0.195911 0.784433 0.074 Uiso 1 1 calc R U . . .
C118 C 0.1542(3) 0.1218(3) 1.1118(16) 0.066(4) Uani 1 1 d . . . . .
H11U H 0.173404 0.125146 1.055178 0.100 Uiso 1 1 calc R U . . .
H11V H 0.136671 0.098561 1.104903 0.100 Uiso 1 1 calc R U . . .
H11W H 0.160631 0.127407 1.213644 0.100 Uiso 1 1 calc R U . . .
C119 C 0.3877(3) -0.0303(3) 1.0598(16) 0.048(3) Uani 1 1 d . U . . .
H11X H 0.385599 -0.027103 1.164658 0.058 Uiso 1 1 calc R U . . .
H11Y H 0.365382 -0.043931 1.017279 0.058 Uiso 1 1 calc R U . . .
C120 C 0.5465(3) 0.2005(3) 1.6585(13) 0.064(4) Uani 1 1 d . U . . .
H12A H 0.533582 0.211108 1.683789 0.096 Uiso 1 1 calc R U . . .
H12B H 0.570043 0.217113 1.656319 0.096 Uiso 1 1 calc R U . . .
H12C H 0.542612 0.183574 1.731210 0.096 Uiso 1 1 calc R U . . .
C122 C 0.2618(2) 0.0086(2) 1.5763(13) 0.030(2) Uani 1 1 d . . . . .
H122 H 0.260530 0.008973 1.684575 0.036 Uiso 1 1 calc R U . . .
C123 C 0.2823(4) 0.1175(3) 1.485(3) 0.109(7) Uani 1 1 d . U . . .
H12D H 0.271706 0.122116 1.566297 0.164 Uiso 1 1 calc R U . . .
H12E H 0.275975 0.094037 1.486307 0.164 Uiso 1 1 calc R U . . .
H12F H 0.275020 0.122512 1.393329 0.164 Uiso 1 1 calc R U . . .
C124 C 0.1252(3) 0.3307(5) 1.6132(13) 0.084(6) Uani 1 1 d . . . . .
H12G H 0.116061 0.306655 1.616774 0.125 Uiso 1 1 calc R U . . .
H12H H 0.107239 0.335659 1.621781 0.125 Uiso 1 1 calc R U . . .
H12I H 0.140836 0.341096 1.693456 0.125 Uiso 1 1 calc R U . . .
C125 C 0.5541(4) 0.0473(4) 1.048(2) 0.086(5) Uani 1 1 d . U . . .
H12J H 0.549305 0.058754 0.970573 0.130 Uiso 1 1 calc R U . . .
H12K H 0.576716 0.051454 1.036832 0.130 Uiso 1 1 calc R U . . .
H12L H 0.551688 0.055417 1.142428 0.130 Uiso 1 1 calc R U . . .
C126 C 0.2083(3) -0.0398(3) 1.5594(19) 0.060(4) Uani 1 1 d . . . . .
H12M H 0.193665 -0.058216 1.493938 0.072 Uiso 1 1 calc R U . . .
H12N H 0.202538 -0.047162 1.661421 0.072 Uiso 1 1 calc R U . . .
C127 C 0.2778(4) 0.5031(4) 1.064(2) 0.079(5) Uani 1 1 d . U . . .
H12O H 0.263234 0.486377 0.994212 0.119 Uiso 1 1 calc R U . . .
H12P H 0.271527 0.520163 1.073633 0.119 Uiso 1 1 calc R U . . .
H12Q H 0.275730 0.492626 1.159031 0.119 Uiso 1 1 calc R U . . .
C128 C 0.3817(3) 0.1321(3) 1.0080(16) 0.047(3) Uani 1 1 d . . . . .
H12R H 0.396412 0.145910 1.087597 0.056 Uiso 1 1 calc R U . . .
H12S H 0.394156 0.138716 0.915501 0.056 Uiso 1 1 calc R U . . .
C129 C 0.4775(3) 0.1615(3) 1.5408(14) 0.042(3) Uani 1 1 d . U . . .
C130 C 0.1274(3) 0.1342(3) 0.9066(12) 0.057(3) Uani 1 1 d . . . . .
H13A H 0.120324 0.149773 0.875001 0.086 Uiso 1 1 calc R U . . .
H13B H 0.108273 0.111748 0.908237 0.086 Uiso 1 1 calc R U . . .
H13C H 0.144031 0.135097 0.838972 0.086 Uiso 1 1 calc R U . . .
C131 C 0.3911(3) 0.0935(3) 1.5420(16) 0.048(3) Uani 1 1 d . . . . .
H13D H 0.370828 0.086178 1.600853 0.058 Uiso 1 1 calc R U . . .
H13E H 0.384845 0.089227 1.438204 0.058 Uiso 1 1 calc R U . . .
C132 C 0.3529(3) 0.1991(3) 1.5013(13) 0.039(3) Uani 1 1 d . . . . .
C133 C 0.5356(3) 0.3325(4) 0.9221(13) 0.059(3) Uani 1 1 d . U . . .
H13F H 0.518611 0.311043 0.884036 0.088 Uiso 1 1 calc R U . . .
H13G H 0.556861 0.333048 0.926517 0.088 Uiso 1 1 calc R U . . .
H13H H 0.537627 0.350191 0.858121 0.088 Uiso 1 1 calc R U . . .
C134 C 0.5492(3) 0.3711(3) 1.1340(15) 0.063(3) Uani 1 1 d . U . . .
H13I H 0.547140 0.387982 1.079301 0.095 Uiso 1 1 calc R U . . .
H13J H 0.572051 0.375509 1.127102 0.095 Uiso 1 1 calc R U . . .
H13K H 0.543657 0.371756 1.235997 0.095 Uiso 1 1 calc R U . . .
C135 C 0.2809(4) 0.1745(4) 1.002(2) 0.077(5) Uani 1 1 d . U . . .
H13L H 0.272221 0.162720 0.909601 0.116 Uiso 1 1 calc R U . . .
H13M H 0.274940 0.191765 1.011393 0.116 Uiso 1 1 calc R U . . .
H13N H 0.271281 0.158798 1.082364 0.116 Uiso 1 1 calc R U . . .
C137 C 0.2076(3) 0.2624(2) 0.9681(15) 0.045(3) Uani 1 1 d . . . . .
H13O H 0.195119 0.268692 1.035358 0.054 Uiso 1 1 calc R U . . .
H13P H 0.200640 0.263141 0.867366 0.054 Uiso 1 1 calc R U . . .
C139 C 0.5390(4) 0.2099(4) 1.3999(14) 0.075(4) Uani 1 1 d . U . . .
H13Q H 0.528220 0.198759 1.309218 0.112 Uiso 1 1 calc R U . . .
H13R H 0.562455 0.225514 1.381567 0.112 Uiso 1 1 calc R U . . .
H13S H 0.528349 0.221916 1.437622 0.112 Uiso 1 1 calc R U . . .
C141 C 0.5447(3) 0.5355(3) 1.6652(13) 0.072(5) Uani 1 1 d . . . . .
H14A H 0.528474 0.542733 1.679221 0.108 Uiso 1 1 calc R U . . .
H14B H 0.566928 0.554921 1.658129 0.108 Uiso 1 1 calc R U . . .
H14C H 0.543847 0.521866 1.747810 0.108 Uiso 1 1 calc R U . . .
C142 C 0.2454(3) -0.0275(3) 1.5279(18) 0.052(4) Uani 1 1 d . . . . .
H14D H 0.253488 -0.039918 1.585050 0.062 Uiso 1 1 calc R U . . .
H14E H 0.249193 -0.029237 1.423403 0.062 Uiso 1 1 calc R U . . .
C143 C 0.3189(3) 0.1383(3) 1.4979(13) 0.043(3) Uani 1 1 d . U . . .
C145 C 0.1719(2) 0.2036(2) 1.0132(11) 0.033(2) Uani 1 1 d . . . . .
C147 C 0.3337(4) 0.2102(3) 1.1395(13) 0.054(3) Uani 1 1 d . U . . .
H14F H 0.321950 0.197039 1.224890 0.081 Uiso 1 1 calc R U . . .
H14G H 0.332072 0.230313 1.136711 0.081 Uiso 1 1 calc R U . . .
H14H H 0.357073 0.216274 1.145141 0.081 Uiso 1 1 calc R U . . .
C148 C 0.1657(4) 0.0574(4) 1.439(2) 0.089(5) Uani 1 1 d . U . . .
H14I H 0.181083 0.072379 1.512218 0.134 Uiso 1 1 calc R U . . .
H14J H 0.148061 0.062604 1.422647 0.134 Uiso 1 1 calc R U . . .
H14K H 0.177647 0.060060 1.347721 0.134 Uiso 1 1 calc R U . . .
C149 C 0.1362(3) 0.0183(4) 1.6422(14) 0.062(3) Uani 1 1 d . U . . .
H14L H 0.128020 -0.004366 1.676042 0.092 Uiso 1 1 calc R U . . .
H14M H 0.117769 0.022811 1.638963 0.092 Uiso 1 1 calc R U . . .
H14N H 0.153182 0.033879 1.709013 0.092 Uiso 1 1 calc R U . . .
C150 C 0.5550(3) 0.1686(4) 1.465(2) 0.098(6) Uani 1 1 d . U . . .
H15A H 0.551569 0.151329 1.534718 0.147 Uiso 1 1 calc R U . . .
H15B H 0.578573 0.185293 1.461267 0.147 Uiso 1 1 calc R U . . .
H15C H 0.547618 0.158753 1.368578 0.147 Uiso 1 1 calc R U . . .
C152 C 0.4165(3) 0.1306(3) 1.5688(19) 0.060(4) Uani 1 1 d . . . . .
H15D H 0.413191 0.145016 1.499776 0.072 Uiso 1 1 calc R U . . .
H15E H 0.414923 0.137286 1.669286 0.072 Uiso 1 1 calc R U . . .
C155 C 0.1257(4) -0.0009(4) 1.3839(15) 0.072(4) Uani 1 1 d . U . . .
H15F H 0.111147 0.007590 1.355271 0.108 Uiso 1 1 calc R U . . .
H15G H 0.112600 -0.022705 1.429027 0.108 Uiso 1 1 calc R U . . .
H15H H 0.137009 -0.002843 1.297878 0.108 Uiso 1 1 calc R U . . .
C157 C 0.1173(3) 0.1437(3) 1.1637(12) 0.053(3) Uani 1 1 d . . . . .
H15I H 0.127588 0.149375 1.260040 0.080 Uiso 1 1 calc R U . . .
H15J H 0.097374 0.121848 1.167055 0.080 Uiso 1 1 calc R U . . .
H15K H 0.111366 0.160258 1.134139 0.080 Uiso 1 1 calc R U . . .
C158 C 0.3304(5) 0.1328(4) 1.6363(14) 0.082(5) Uani 1 1 d . U . . .
H15L H 0.354004 0.148787 1.647887 0.124 Uiso 1 1 calc R U . . .
H15M H 0.326989 0.110273 1.638741 0.124 Uiso 1 1 calc R U . . .
H15N H 0.317944 0.135498 1.715498 0.124 Uiso 1 1 calc R U . . .
C160 C 0.5244(3) 0.3114(3) 1.1791(12) 0.050(3) Uani 1 1 d . U . . .
H16A H 0.518196 0.315417 1.275388 0.074 Uiso 1 1 calc R U . . .
H16B H 0.546131 0.312981 1.184557 0.074 Uiso 1 1 calc R U . . .
H16C H 0.507902 0.289240 1.145835 0.074 Uiso 1 1 calc R U . . .
Ag11 Ag 0.666667 0.333333 1.04053(17) 0.0291(3) Uani 1 3 d S T P . .
Ag14 Ag 0.666667 0.333333 1.54533(18) 0.0314(3) Uani 1 3 d S T P . .
Ag17 Ag 0.63447(2) 0.35872(2) 1.29051(11) 0.0356(2) Uani 1 1 d . . . . .
S10 S 0.63063(7) 0.35797(6) 1.0336(4) 0.0313(6) Uani 1 1 d . . . . .
S15 S 0.63563(7) 0.36329(7) 1.5477(4) 0.0333(7) Uani 1 1 d . . . . .
O18 O 0.51493(18) 0.3506(2) 1.5424(9) 0.0443(19) Uani 1 1 d . . . . .
O27 O 0.63216(17) 0.47378(15) 1.0298(8) 0.0370(15) Uani 1 1 d . . . . .
O33 O 0.48217(18) 0.2956(2) 1.5729(10) 0.061(2) Uani 1 1 d . . . . .
O37 O 0.68787(19) 0.51077(17) 1.0312(10) 0.053(2) Uani 1 1 d . . . . .
N11 N 0.53775(19) 0.3198(2) 1.5692(10) 0.0332(18) Uani 1 1 d . . . . .
N17 N 0.6668(2) 0.45516(18) 1.0187(9) 0.0316(17) Uani 1 1 d . . . . .
C16 C 0.5937(2) 0.3362(2) 1.6040(10) 0.0245(19) Uani 1 1 d . U . . .
H16 H 0.593706 0.335060 1.712408 0.029 Uiso 1 1 calc R U . . .
C20 C 0.6396(2) 0.4209(2) 1.0181(11) 0.031(2) Uani 1 1 d . . . . .
H20A H 0.623002 0.417599 0.943302 0.038 Uiso 1 1 calc R U . . .
H20B H 0.628627 0.414641 1.113994 0.038 Uiso 1 1 calc R U . . .
C48 C 0.5756(3) 0.3008(2) 1.5475(13) 0.037(2) Uani 1 1 d . . . . .
H48A H 0.582956 0.286984 1.598655 0.045 Uiso 1 1 calc R U . . .
H48B H 0.579238 0.300158 1.441959 0.045 Uiso 1 1 calc R U . . .
C55 C 0.6900(2) 0.4209(2) 1.0508(13) 0.039(2) Uani 1 1 d . . . . .
H55A H 0.705909 0.415528 1.004698 0.047 Uiso 1 1 calc R U . . .
H55B H 0.689259 0.416649 1.156375 0.047 Uiso 1 1 calc R U . . .
C69 C 0.6994(2) 0.4570(2) 1.0206(14) 0.042(3) Uani 1 1 d . . . . .
H69A H 0.713796 0.471912 1.098319 0.051 Uiso 1 1 calc R U . . .
H69B H 0.710881 0.464653 0.926133 0.051 Uiso 1 1 calc R U . . .
C72 C 0.5701(2) 0.3490(2) 1.5610(11) 0.028(2) Uani 1 1 d . . . . .
H72A H 0.572053 0.366221 1.629211 0.034 Uiso 1 1 calc R U . . .
H72B H 0.574874 0.358173 1.461386 0.034 Uiso 1 1 calc R U . . .
C74 C 0.6561(2) 0.4012(2) 0.9834(11) 0.028(2) Uani 1 1 d . . . . .
H74 H 0.659144 0.402013 0.875801 0.034 Uiso 1 1 calc R U . . .
C88 C 0.5089(2) 0.3196(3) 1.5619(11) 0.036(2) Uani 1 1 d . . . . .
C93 C 0.6640(3) 0.4823(3) 1.0266(11) 0.035(2) Uani 1 1 d . . . . .
C100 C 0.6339(4) 0.5192(3) 0.8894(15) 0.072(4) Uani 1 1 d . U . . .
H10G H 0.657917 0.533928 0.891118 0.109 Uiso 1 1 calc R U . . .
H10H H 0.623006 0.532450 0.878237 0.109 Uiso 1 1 calc R U . . .
H10I H 0.627854 0.503811 0.807810 0.109 Uiso 1 1 calc R U . . .
C104 C 0.6227(3) 0.4999(3) 1.0309(13) 0.046(3) Uani 1 1 d . . . . .
C121 C 0.4876(3) 0.3582(4) 1.5384(13) 0.053(3) Uani 1 1 d . U . . .
C136 C 0.4640(4) 0.3389(5) 1.4185(15) 0.089(5) Uani 1 1 d . U . . .
H13V H 0.476106 0.343626 1.326581 0.134 Uiso 1 1 calc R U . . .
H13W H 0.447041 0.345385 1.410869 0.134 Uiso 1 1 calc R U . . .
H13X H 0.453440 0.315228 1.439772 0.134 Uiso 1 1 calc R U . . .
C138 C 0.5389(2) 0.2890(2) 1.5803(14) 0.041(3) Uani 1 1 d . . . . .
H13Y H 0.524095 0.272502 1.508280 0.049 Uiso 1 1 calc R U . . .
H H 0.532660 0.279384 1.678857 0.049 Uiso 1 1 calc R U . . .
C146 C 0.4704(4) 0.3500(5) 1.6817(16) 0.086(5) Uani 1 1 d . U . . .
H14O H 0.458683 0.325935 1.695821 0.129 Uiso 1 1 calc R U . . .
H14P H 0.454521 0.357875 1.683928 0.129 Uiso 1 1 calc R U . . .
H14Q H 0.486714 0.360670 1.759351 0.129 Uiso 1 1 calc R U . . .
C151 C 0.5054(5) 0.3939(5) 1.507(2) 0.101(7) Uani 1 1 d . U . . .
H15R H 0.521225 0.405680 1.585337 0.151 Uiso 1 1 calc R U . . .
H15S H 0.489483 0.401732 1.500873 0.151 Uiso 1 1 calc R U . . .
H15T H 0.517219 0.397953 1.414984 0.151 Uiso 1 1 calc R U . . .
C159 C 0.6350(3) 0.5210(3) 1.1622(12) 0.054(3) Uani 1 1 d . U . . .
H15U H 0.628424 0.506953 1.248897 0.080 Uiso 1 1 calc R U . . .
H15V H 0.625374 0.535474 1.166262 0.080 Uiso 1 1 calc R U . . .
H15W H 0.659126 0.534490 1.158222 0.080 Uiso 1 1 calc R U . . .
C161 C 0.5849(3) 0.4781(3) 1.0361(17) 0.068(4) Uani 1 1 d . U . . .
H16D H 0.577474 0.461671 0.958087 0.101 Uiso 1 1 calc R U . . .
H16E H 0.574801 0.492021 1.023453 0.101 Uiso 1 1 calc R U . . .
H16F H 0.578237 0.466829 1.130055 0.101 Uiso 1 1 calc R U . . .
Ag16 Ag 0.000000 0.000000 1.0204(2) 0.0296(3) Uani 1 3 d S T P . .
Ag18 Ag 0.000000 0.000000 1.5252(2) 0.0305(3) Uani 1 3 d S T P . .
Ag19 Ag 0.05754(2) 0.03331(2) 1.27122(12) 0.0349(2) Uani 1 1 d . . . . .
S9 S 0.06052(6) 0.03708(7) 1.0145(3) 0.0299(6) Uani 1 1 d . . . . .
S18 S 0.06097(6) 0.03216(7) 1.5273(4) 0.0310(7) Uani 1 1 d . . . . .
O20 O 0.17665(14) 0.03823(17) 1.0128(8) 0.0378(15) Uani 1 1 d . . . . .
O29 O 0.16707(18) 0.15396(19) 1.5245(9) 0.045(2) Uani 1 1 d . . . . .
O34 O 0.1433(2) 0.18637(19) 1.5543(11) 0.064(2) Uani 1 1 d . . . . .
O35 O 0.15886(19) -0.01683(19) 1.0125(10) 0.052(2) Uani 1 1 d . . . . .
N10 N 0.1130(2) 0.1301(2) 1.5487(10) 0.036(2) Uani 1 1 d . . . . .
N14 N 0.12304(18) 0.0029(2) 0.9990(8) 0.0291(16) Uani 1 1 d . . . . .
C22 C 0.0566(3) 0.0914(3) 1.5273(14) 0.038(3) Uani 1 1 d . . . . .
H22A H 0.035333 0.083807 1.578342 0.046 Uiso 1 1 calc R U . . .
H22B H 0.052300 0.087452 1.421899 0.046 Uiso 1 1 calc R U . . .
C38 C 0.1113(2) 0.0983(2) 1.5414(12) 0.033(2) Uani 1 1 d . U . . .
H38C H 0.126918 0.097104 1.610343 0.039 Uiso 1 1 calc R U . . .
H38D H 0.116016 0.093665 1.442139 0.039 Uiso 1 1 calc R U . . .
C40 C 0.1159(2) 0.0299(2) 1.0008(10) 0.0295(19) Uani 1 1 d . . . . .
H40C H 0.129316 0.046895 0.927546 0.035 Uiso 1 1 calc R U . . .
H40D H 0.120189 0.040358 1.097741 0.035 Uiso 1 1 calc R U . . .
C57 C 0.0744(2) 0.0738(2) 1.5855(12) 0.028(2) Uani 1 1 d . . . . .
H57 H 0.073101 0.073708 1.693859 0.034 Uiso 1 1 calc R U . . .
C62 C 0.2118(3) 0.0481(3) 1.0120(14) 0.047(3) Uani 1 1 d . . . . .
C76 C 0.0664(2) -0.0209(2) 1.0334(14) 0.040(3) Uani 1 1 d . . . . .
H76A H 0.044761 -0.037166 0.991233 0.047 Uiso 1 1 calc R U . . .
H76B H 0.063804 -0.019596 1.139504 0.047 Uiso 1 1 calc R U . . .
C95 C 0.2013(3) 0.1820(3) 1.5208(11) 0.054(3) Uani 1 1 d D U . . .
C96 C 0.1532(2) 0.0059(3) 1.0100(11) 0.032(2) Uani 1 1 d . . . . .
C99 C 0.0928(3) -0.0300(2) 0.9992(14) 0.041(3) Uani 1 1 d . . . . .
H99A H 0.093778 -0.044533 1.074776 0.049 Uiso 1 1 calc R U . . .
H99B H 0.089017 -0.040897 0.903398 0.049 Uiso 1 1 calc R U . . .
C101 C 0.0795(2) 0.0126(2) 0.9635(12) 0.032(2) Uani 1 1 d . . . . .
H101 H 0.077363 0.009319 0.855928 0.039 Uiso 1 1 calc R U . . .
C103 C 0.2208(3) 0.0373(4) 0.8720(13) 0.060(3) Uani 1 1 d . . . . .
H10J H 0.208899 0.013092 0.866490 0.091 Uiso 1 1 calc R U . . .
H10K H 0.244722 0.045595 0.870222 0.091 Uiso 1 1 calc R U . . .
H10L H 0.214765 0.046293 0.789014 0.091 Uiso 1 1 calc R U . . .
C109 C 0.1421(3) 0.1592(3) 1.5438(11) 0.039(2) Uani 1 1 d . . . . .
C117 C 0.2112(4) 0.1995(4) 1.6662(13) 0.085(5) Uani 1 1 d D U . . .
H11Z H 0.200731 0.213035 1.678797 0.127 Uiso 1 1 calc R U . . .
HA H 0.235319 0.213732 1.669772 0.127 Uiso 1 1 calc R U . . .
HB H 0.204037 0.183045 1.744147 0.127 Uiso 1 1 calc R U . . .
C140 C 0.2212(2) 0.0359(4) 1.1477(12) 0.057(3) Uani 1 1 d . . . . .
H14R H 0.211657 0.040404 1.233425 0.086 Uiso 1 1 calc R U . . .
H14S H 0.245395 0.047523 1.157083 0.086 Uiso 1 1 calc R U . . .
H14T H 0.212766 0.012081 1.139877 0.086 Uiso 1 1 calc R U . . .
C144 C 0.0809(3) 0.1281(3) 1.5586(14) 0.043(3) Uani 1 1 d . . . . .
H14U H 0.078882 0.142572 1.485545 0.051 Uiso 1 1 calc R U . . .
H14V H 0.077315 0.134468 1.656547 0.051 Uiso 1 1 calc R U . . .
C154 C 0.2055(4) 0.2051(3) 1.3973(13) 0.076(4) Uani 1 1 d D U . . .
H15X H 0.203952 0.194022 1.304729 0.114 Uiso 1 1 calc R U . . .
H15Y H 0.227257 0.225138 1.404725 0.114 Uiso 1 1 calc R U . . .
HC H 0.188162 0.211004 1.402168 0.114 Uiso 1 1 calc R U . . .
C156 C 0.2202(4) 0.1642(4) 1.494(2) 0.092(6) Uani 1 1 d D U . . .
H15Z H 0.216048 0.148663 1.574044 0.137 Uiso 1 1 calc R U . . .
HD H 0.243912 0.180276 1.489138 0.137 Uiso 1 1 calc R U . . .
HE H 0.212936 0.151956 1.402637 0.137 Uiso 1 1 calc R U . . .
C162 C 0.2277(3) 0.0858(3) 1.0131(19) 0.077(4) Uani 1 1 d . . . . .
H16G H 0.220404 0.092891 0.927411 0.115 Uiso 1 1 calc R U . . .
H16H H 0.251800 0.095925 1.011602 0.115 Uiso 1 1 calc R U . . .
H16I H 0.220927 0.092698 1.101075 0.115 Uiso 1 1 calc R U . . .
O45 O 0.4212(5) 0.5421(6) 1.367(2) 0.093(7) Uani 0.522(16) 1 d D U P A 1
H45 H 0.403764 0.534956 1.419996 0.140 Uiso 0.522(16) 1 d R U P A 1
O1AA O 0.4503(4) 0.5438(4) 1.3005(13) 0.043(4) Uani 0.478(16) 1 d . U P A 2
H1AA H 0.460471 0.565759 1.219028 0.064 Uiso 0.478(16) 1 d R U P A 2
H1AB H 0.424148 0.531651 1.254976 0.064 Uiso 0.478(16) 1 d R U P A 2
C0AA C 0.4310(7) 0.5516(8) 1.217(2) 0.077(8) Uani 0.522(16) 1 d D U P A 1
H0AA H 0.422596 0.531644 1.157376 0.116 Uiso 0.522(16) 1 calc R U P A 1
H0AB H 0.455156 0.564293 1.211180 0.116 Uiso 0.522(16) 1 calc R U P A 1
H0AC H 0.421761 0.565144 1.182711 0.116 Uiso 0.522(16) 1 calc R U P A 1
O0AA O 0.4567(4) 0.2145(4) 1.1515(13) 0.047(3) Uani 0.5 1 d D U P . .
H0AD H 0.467(4) 0.203(4) 1.157(4) 0.070 Uiso 0.5 1 d D U P . .
C1AA C 0.4508(5) 0.2181(6) 1.3034(16) 0.054(6) Uani 0.5 1 d D U P . .
H1AC H 0.431017 0.220221 1.312021 0.080 Uiso 0.5 1 calc R U P . .
H1AD H 0.469931 0.238014 1.343003 0.080 Uiso 0.5 1 calc R U P . .
H1AE H 0.447570 0.198684 1.357748 0.080 Uiso 0.5 1 calc R U P . .
O3AA O 0.0869(4) 0.2117(4) 1.1294(15) 0.055(5) Uani 0.458(19) 1 d D U P B 1
H3AA H 0.0700(13) 0.214(2) 1.144(4) 0.083 Uiso 0.458(19) 1 d D U P B 1
C2AA C 0.0898(8) 0.2131(8) 1.298(3) 0.106(12) Uani 0.542(19) 1 d D U P B 2
H2AA H 0.071299 0.197121 1.238654 0.159 Uiso 0.542(19) 1 calc R U P B 2
H2AB H 0.081638 0.222352 1.372022 0.159 Uiso 0.542(19) 1 calc R U P B 2
H2AC H 0.100470 0.202062 1.345469 0.159 Uiso 0.542(19) 1 calc R U P B 2
O4AA O 0.1136(5) 0.2394(5) 1.207(2) 0.102(7) Uani 0.542(19) 1 d D U P B 2
H4AA H 0.1297(19) 0.253(3) 1.258(3) 0.152 Uiso 0.542(19) 1 d D U P B 2
C3AA C 0.1026(7) 0.2149(10) 1.270(2) 0.063(8) Uani 0.458(19) 1 d D U P B 1
H3AB H 0.118048 0.238329 1.290531 0.094 Uiso 0.458(19) 1 calc R U P B 1
H3AC H 0.114659 0.202736 1.268939 0.094 Uiso 0.458(19) 1 calc R U P B 1
H3AD H 0.085602 0.205812 1.346214 0.094 Uiso 0.458(19) 1 calc R U P B 1


_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 3.2847(15) 2_665 ?
Ag1 Ag3 3.2848(15) . ?
Ag1 Ag3 3.2847(14) 3_565 ?
Ag1 S7 2.463(3) 3_565 ?
Ag1 S7 2.463(3) 2_665 ?
Ag1 S7 2.462(3) . ?
Ag3 Ag5 3.3091(15) . ?
Ag3 S1 2.363(4) . ?
Ag3 S7 2.372(3) . ?
Ag5 S1 2.466(3) 3_565 ?
Ag5 S1 2.466(3) . ?
Ag5 S1 2.466(3) 2_665 ?
S1 C3 1.853(10) . ?
S7 C44 1.816(10) . ?
O3 C28 1.348(13) . ?
O3 C45 1.483(11) . ?
O10 C2 1.473(13) . ?
O10 C12 1.349(14) . ?
O14 C12 1.212(14) . ?
O17 C28 1.203(13) . ?
N1 C1 1.479(13) . ?
N1 C12 1.332(14) . ?
N1 C29 1.456(14) . ?
N2 C13 1.462(13) . ?
N2 C26 1.464(11) . ?
N2 C28 1.331(13) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C3 1.485(15) . ?
C2 C67 1.518(17) . ?
C2 C70 1.474(18) . ?
C2 C98 1.53(2) . ?
C3 H3 1.0000 . ?
C3 C8 1.527(15) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C13 1.519(14) . ?
C6 C44 1.552(15) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C29 1.517(15) . ?
C13 H13T 0.9900 . ?
C13 H13U 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C44 1.544(14) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C44 H44 1.0000 . ?
C45 C60 1.503(16) . ?
C45 C90 1.510(17) . ?
C45 C153 1.522(19) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C153 H15O 0.9800 . ?
C153 H15P 0.9800 . ?
C153 H15Q 0.9800 . ?
Ag2 Ag6 3.2779(14) . ?
Ag2 Ag7 3.3589(14) . ?
Ag2 Ag8 3.2150(13) . ?
Ag2 S2 2.482(3) . ?
Ag2 S3 2.495(3) . ?
Ag2 S4 2.486(3) . ?
Ag4 Ag6 3.3019(14) . ?
Ag4 Ag7 3.2156(13) . ?
Ag4 Ag8 3.3442(14) . ?
Ag4 S6 2.455(3) . ?
Ag4 S12 2.476(3) . ?
Ag4 S13 2.464(3) . ?
Ag6 S3 2.371(4) . ?
Ag6 S12 2.372(4) . ?
Ag7 S2 2.367(4) . ?
Ag7 S13 2.371(3) . ?
Ag8 S4 2.378(4) . ?
Ag8 S6 2.368(4) . ?
Ag9 Ag10 3.3713(14) 3 ?
Ag9 Ag12 3.2318(14) . ?
Ag9 Ag15 3.2957(14) . ?
Ag9 S14 2.485(3) . ?
Ag9 S16 2.479(3) 3 ?
Ag9 S17 2.477(3) . ?
Ag10 Ag13 3.2281(13) 2 ?
Ag10 S5 2.377(4) . ?
Ag10 S16 2.366(4) . ?
Ag12 Ag13 3.3549(14) . ?
Ag12 S8 2.370(4) . ?
Ag12 S14 2.363(4) . ?
Ag13 Ag15 3.2888(14) . ?
Ag13 S5 2.475(3) 3 ?
Ag13 S8 2.477(3) . ?
Ag13 S11 2.466(3) . ?
Ag15 S11 2.378(4) . ?
Ag15 S17 2.374(4) . ?
S2 C91 1.834(12) . ?
S3 C15 1.820(10) . ?
S4 C64 1.838(11) . ?
S5 C18 1.809(11) . ?
S6 C33 1.825(11) . ?
S8 C54 1.838(12) . ?
S11 C14 1.817(11) . ?
S12 C17 1.827(11) . ?
S13 C61 1.819(10) . ?
S14 C68 1.809(12) . ?
S16 C32 1.812(12) . ?
S17 C122 1.810(10) . ?
Na1 O19 2.324(8) . ?
Na1 O22 2.323(9) . ?
Na1 O38 2.311(8) . ?
Na1 O39 2.261(11) . ?
Na1 O0AA 2.357(12) . ?
Na2 O23 2.327(8) . ?
Na2 O25 2.349(11) . ?
Na2 O36 2.318(9) . ?
Na2 O40 2.265(10) . ?
Na2 O3AA 2.331(15) . ?
Na2 O4AA 2.62(2) . ?
Na3 O5 2.314(9) 2_665 ?
Na3 O21 2.336(11) . ?
Na3 O41 2.346(9) . ?
Na3 O42 2.274(10) . ?
Na3 O45 2.42(2) . ?
Na3 H45 2.6302 . ?
Na3 O1AA 2.550(13) . ?
O1 C4 1.359(13) . ?
O1 C19 1.487(11) . ?
O2 C10 1.371(14) . ?
O2 C27 1.492(13) . ?
O4 C10 1.225(15) . ?
O5 C4 1.215(13) . ?
O6 C9 1.350(14) . ?
O6 C52 1.479(12) . ?
O7 C53 1.481(12) . ?
O7 C66 1.345(16) . ?
O8 C23 1.485(11) . ?
O8 C46 1.334(13) . ?
O9 C24 1.491(13) . ?
O9 C102 1.351(14) . ?
O11 C36 1.481(12) . ?
O11 C58 1.347(14) . ?
O12 C75 1.465(11) . ?
O12 C107 1.339(13) . ?
O13 C132 1.332(15) . ?
O13 C143 1.495(12) . ?
O15 C77 1.470(11) . ?
O15 C129 1.301(14) . ?
O16 C63 1.479(11) . ?
O16 C106 1.333(12) . ?
O19 C106 1.212(11) . ?
O21 C66 1.203(15) . ?
O22 C102 1.229(14) . ?
O23 C145 1.229(12) . ?
O24 C83 1.492(11) . ?
O24 C145 1.338(11) . ?
O25 C58 1.212(14) . ?
O26 C107 1.213(13) . ?
O28 C129 1.214(14) . ?
O30 C9 1.194(14) . ?
O31 C46 1.219(14) . ?
O32 C132 1.232(15) . ?
O36 H36A 0.8959 . ?
O36 H36B 0.8970 . ?
O38 H38A 0.8500 . ?
O38 H38B 0.8493 . ?
O39 H39A 0.8499 . ?
O39 H39B 0.8499 . ?
O40 H40A 0.8573 . ?
O40 H40B 0.8585 . ?
O41 H41A 0.8872 . ?
O41 H41B 0.8885 . ?
O42 H42A 0.8530 . ?
O42 H42B 0.8537 . ?
N3 C4 1.344(14) . ?
N3 C30 1.440(13) . ?
N3 C94 1.464(14) . ?
N4 C7 1.455(14) . ?
N4 C10 1.317(15) . ?
N4 C47 1.473(15) . ?
N5 C5 1.459(13) . ?
N5 C46 1.340(13) . ?
N5 C71 1.473(14) . ?
N6 C25 1.443(15) . ?
N6 C39 1.453(14) . ?
N6 C66 1.373(14) . ?
N7 C49 1.480(13) . ?
N7 C58 1.337(13) . ?
N7 C73 1.468(16) . ?
N8 C78 1.461(14) . ?
N8 C102 1.314(15) . ?
N8 C128 1.489(15) . ?
N9 C41 1.460(14) . ?
N9 C85 1.452(15) . ?
N9 C132 1.340(14) . ?
N12 C9 1.348(14) . ?
N12 C11 1.460(14) . ?
N12 C110 1.462(15) . ?
N13 C65 1.477(12) . ?
N13 C137 1.455(13) . ?
N13 C145 1.334(13) . ?
N15 C111 1.440(15) . ?
N15 C129 1.378(14) . ?
N15 C152 1.458(14) . ?
N16 C51 1.472(13) . ?
N16 C106 1.342(12) . ?
N16 C113 1.453(13) . ?
N18 C34 1.461(13) . ?
N18 C107 1.357(13) . ?
N18 C126 1.468(14) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C33 1.551(13) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C64 1.478(15) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C54 1.483(15) . ?
C14 H14 1.0000 . ?
C14 C78 1.505(15) . ?
C14 C92 1.519(17) . ?
C15 H15 1.0000 . ?
C15 C21 1.545(15) . ?
C15 C65 1.485(15) . ?
C17 H17 1.0000 . ?
C17 C41 1.508(14) . ?
C17 C86 1.501(18) . ?
C18 H18 1.0000 . ?
C18 C37 1.535(17) . ?
C18 C49 1.527(14) . ?
C19 C31 1.522(15) . ?
C19 C43 1.516(17) . ?
C19 C80 1.471(18) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C137 1.504(14) . ?
C23 C82 1.493(19) . ?
C23 C105 1.494(15) . ?
C23 C124 1.468(16) . ?
C24 C116 1.511(17) . ?
C24 C135 1.530(19) . ?
C24 C147 1.508(17) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C56 1.550(15) . ?
C27 C42 1.53(2) . ?
C27 C89 1.487(17) . ?
C27 C127 1.49(2) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C32 1.559(15) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32 1.0000 . ?
C32 C81 1.508(16) . ?
C33 H33 1.0000 . ?
C33 C50 1.499(18) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C122 1.546(14) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C47 1.531(17) . ?
C35 C64 1.532(18) . ?
C36 C59 1.539(17) . ?
C36 C108 1.526(17) . ?
C36 C112 1.49(2) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C73 1.519(14) . ?
C39 H39C 0.9900 . ?
C39 H39D 0.9900 . ?
C39 C61 1.530(14) . ?
C41 H41C 0.9900 . ?
C41 H41D 0.9900 . ?
C42 H42C 0.9800 . ?
C42 H42D 0.9800 . ?
C42 H42E 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C71 1.524(14) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C91 1.511(14) . ?
C52 C97 1.534(17) . ?
C52 C115 1.479(17) . ?
C52 C125 1.51(2) . ?
C53 C84 1.51(2) . ?
C53 C87 1.499(17) . ?
C53 C141 1.511(17) . ?
C54 H54 1.0000 . ?
C54 C119 1.548(18) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C61 1.504(16) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C61 H61 1.0000 . ?
C63 C133 1.502(16) . ?
C63 C134 1.508(17) . ?
C63 C160 1.539(15) . ?
C64 H64 1.0000 . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C68 H68 1.0000 . ?
C68 C111 1.553(15) . ?
C68 C131 1.485(17) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C75 C148 1.495(19) . ?
C75 C149 1.530(16) . ?
C75 C155 1.500(19) . ?
C77 C120 1.516(16) . ?
C77 C139 1.518(19) . ?
C77 C150 1.475(19) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 C91 1.509(17) . ?
C79 C113 1.497(15) . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C81 C94 1.527(15) . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 C118 1.486(17) . ?
C83 C130 1.480(14) . ?
C83 C157 1.535(15) . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C85 C86 1.534(13) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C91 H91 1.0000 . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C92 C128 1.513(16) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C105 H10A 0.9800 . ?
C105 H10B 0.9800 . ?
C105 H10C 0.9800 . ?
C108 H10D 0.9800 . ?
C108 H10E 0.9800 . ?
C108 H10F 0.9800 . ?
C110 H11C 0.9900 . ?
C110 H11D 0.9900 . ?
C110 C119 1.518(16) . ?
C111 H11E 0.9900 . ?
C111 H11F 0.9900 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C112 H11I 0.9800 . ?
C113 H11J 0.9900 . ?
C113 H11K 0.9900 . ?
C114 H11L 0.9800 . ?
C114 H11M 0.9800 . ?
C114 H11N 0.9800 . ?
C114 C143 1.502(18) . ?
C115 H11O 0.9800 . ?
C115 H11P 0.9800 . ?
C115 H11Q 0.9800 . ?
C116 H11R 0.9800 . ?
C116 H11S 0.9800 . ?
C116 H11T 0.9800 . ?
C118 H11U 0.9800 . ?
C118 H11V 0.9800 . ?
C118 H11W 0.9800 . ?
C119 H11X 0.9900 . ?
C119 H11Y 0.9900 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C122 H122 1.0000 . ?
C122 C142 1.527(16) . ?
C123 H12D 0.9800 . ?
C123 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
C123 C143 1.49(2) . ?
C124 H12G 0.9800 . ?
C124 H12H 0.9800 . ?
C124 H12I 0.9800 . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C125 H12L 0.9800 . ?
C126 H12M 0.9900 . ?
C126 H12N 0.9900 . ?
C126 C142 1.555(15) . ?
C127 H12O 0.9800 . ?
C127 H12P 0.9800 . ?
C127 H12Q 0.9800 . ?
C128 H12R 0.9900 . ?
C128 H12S 0.9900 . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C131 H13D 0.9900 . ?
C131 H13E 0.9900 . ?
C131 C152 1.556(16) . ?
C133 H13F 0.9800 . ?
C133 H13G 0.9800 . ?
C133 H13H 0.9800 . ?
C134 H13I 0.9800 . ?
C134 H13J 0.9800 . ?
C134 H13K 0.9800 . ?
C135 H13L 0.9800 . ?
C135 H13M 0.9800 . ?
C135 H13N 0.9800 . ?
C137 H13O 0.9900 . ?
C137 H13P 0.9900 . ?
C139 H13Q 0.9800 . ?
C139 H13R 0.9800 . ?
C139 H13S 0.9800 . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
C142 H14D 0.9900 . ?
C142 H14E 0.9900 . ?
C143 C158 1.457(18) . ?
C147 H14F 0.9800 . ?
C147 H14G 0.9800 . ?
C147 H14H 0.9800 . ?
C148 H14I 0.9800 . ?
C148 H14J 0.9800 . ?
C148 H14K 0.9800 . ?
C149 H14L 0.9800 . ?
C149 H14M 0.9800 . ?
C149 H14N 0.9800 . ?
C150 H15A 0.9800 . ?
C150 H15B 0.9800 . ?
C150 H15C 0.9800 . ?
C152 H15D 0.9900 . ?
C152 H15E 0.9900 . ?
C155 H15F 0.9800 . ?
C155 H15G 0.9800 . ?
C155 H15H 0.9800 . ?
C157 H15I 0.9800 . ?
C157 H15J 0.9800 . ?
C157 H15K 0.9800 . ?
C158 H15L 0.9800 . ?
C158 H15M 0.9800 . ?
C158 H15N 0.9800 . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 H16C 0.9800 . ?
Ag11 Ag17 3.2782(13) 2_655 ?
Ag11 Ag17 3.2782(13) . ?
Ag11 Ag17 3.2782(13) 3_665 ?
Ag11 S10 2.467(3) 2_655 ?
Ag11 S10 2.467(3) 3_665 ?
Ag11 S10 2.467(3) . ?
Ag14 Ag17 3.3096(14) 3_665 ?
Ag14 Ag17 3.3096(14) . ?
Ag14 Ag17 3.3096(14) 2_655 ?
Ag14 S15 2.466(3) 3_665 ?
Ag14 S15 2.466(3) 2_655 ?
Ag14 S15 2.466(3) . ?
Ag17 S10 2.373(3) . ?
Ag17 S15 2.378(4) . ?
S10 C74 1.816(9) . ?
S15 C16 1.794(10) . ?
O18 C88 1.340(14) . ?
O18 C121 1.484(12) . ?
O27 C93 1.335(13) . ?
O27 C104 1.487(11) . ?
O33 C88 1.192(13) . ?
O37 C93 1.235(13) . ?
N11 C72 1.444(12) . ?
N11 C88 1.344(12) . ?
N11 C138 1.468(13) . ?
N17 C20 1.462(12) . ?
N17 C69 1.482(12) . ?
N17 C93 1.338(12) . ?
C16 H16 1.0000 . ?
C16 C48 1.523(14) . ?
C16 C72 1.541(12) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C74 1.497(13) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C138 1.544(14) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C69 1.537(13) . ?
C55 C74 1.512(14) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C74 H74 1.0000 . ?
C100 H10G 0.9800 . ?
C100 H10H 0.9800 . ?
C100 H10I 0.9800 . ?
C100 C104 1.522(17) . ?
C104 C159 1.483(16) . ?
C104 C161 1.536(17) . ?
C121 C136 1.50(2) . ?
C121 C146 1.493(17) . ?
C121 C151 1.47(2) . ?
C136 H13V 0.9800 . ?
C136 H13W 0.9800 . ?
C136 H13X 0.9800 . ?
C138 H13Y 0.9900 . ?
C138 H 0.9900 . ?
C146 H14O 0.9800 . ?
C146 H14P 0.9800 . ?
C146 H14Q 0.9800 . ?
C151 H15R 0.9800 . ?
C151 H15S 0.9800 . ?
C151 H15T 0.9800 . ?
C159 H15U 0.9800 . ?
C159 H15V 0.9800 . ?
C159 H15W 0.9800 . ?
C161 H16D 0.9800 . ?
C161 H16E 0.9800 . ?
C161 H16F 0.9800 . ?
Ag16 Ag19 3.2853(14) . ?
Ag16 Ag19 3.2853(14) 3 ?
Ag16 Ag19 3.2853(14) 2 ?
Ag16 S9 2.467(2) 2 ?
Ag16 S9 2.467(2) 3 ?
Ag16 S9 2.467(2) . ?
Ag18 Ag19 3.3061(15) . ?
Ag18 Ag19 3.3061(15) 3 ?
Ag18 Ag19 3.3061(15) 2 ?
Ag18 S18 2.465(3) 3 ?
Ag18 S18 2.465(3) 2 ?
Ag18 S18 2.466(3) . ?
Ag19 S9 2.370(3) . ?
Ag19 S18 2.367(4) . ?
S9 C101 1.824(10) . ?
S18 C57 1.801(10) . ?
O20 C62 1.465(11) . ?
O20 C96 1.349(13) . ?
O29 C95 1.474(13) . ?
O29 C109 1.316(15) . ?
O34 C109 1.246(14) . ?
O35 C96 1.217(12) . ?
N10 C38 1.445(13) . ?
N10 C109 1.360(14) . ?
N10 C144 1.457(14) . ?
N14 C40 1.452(11) . ?
N14 C96 1.346(12) . ?
N14 C99 1.476(12) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C57 1.528(15) . ?
C22 C144 1.539(14) . ?
C38 H38C 0.9900 . ?
C38 H38D 0.9900 . ?
C38 C57 1.570(14) . ?
C40 H40C 0.9900 . ?
C40 H40D 0.9900 . ?
C40 C101 1.512(13) . ?
C57 H57 1.0000 . ?
C62 C103 1.519(16) . ?
C62 C140 1.526(17) . ?
C62 C162 1.531(19) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C76 C99 1.526(13) . ?
C76 C101 1.507(15) . ?
C95 C117 1.516(11) . ?
C95 C154 1.508(11) . ?
C95 C156 1.508(12) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C101 H101 1.0000 . ?
C103 H10J 0.9800 . ?
C103 H10K 0.9800 . ?
C103 H10L 0.9800 . ?
C117 H11Z 0.9800 . ?
C117 HA 0.9800 . ?
C117 HB 0.9800 . ?
C140 H14R 0.9800 . ?
C140 H14S 0.9800 . ?
C140 H14T 0.9800 . ?
C144 H14U 0.9900 . ?
C144 H14V 0.9900 . ?
C154 H15X 0.9800 . ?
C154 H15Y 0.9800 . ?
C154 HC 0.9800 . ?
C156 H15Z 0.9800 . ?
C156 HD 0.9800 . ?
C156 HE 0.9800 . ?
C162 H16G 0.9800 . ?
C162 H16H 0.9800 . ?
C162 H16I 0.9800 . ?
O45 H45 0.8606 . ?
O45 C0AA 1.447(13) . ?
O1AA H1AA 1.1615 . ?
O1AA H1AB 1.1373 . ?
C0AA H0AA 0.9800 . ?
C0AA H0AB 0.9800 . ?
C0AA H0AC 0.9800 . ?
O0AA H0AD 0.871(13) . ?
O0AA C1AA 1.454(12) . ?
C1AA H1AC 0.9800 . ?
C1AA H1AD 0.9800 . ?
C1AA H1AE 0.9800 . ?
O3AA H3AA 0.851(14) . ?
O3AA C3AA 1.462(13) . ?
C2AA H2AA 0.9800 . ?
C2AA H2AB 0.9800 . ?
C2AA H2AC 0.9800 . ?
C2AA O4AA 1.442(14) . ?
O4AA H4AA 0.851(14) . ?
C3AA H3AB 0.9800 . ?
C3AA H3AC 0.9800 . ?
C3AA H3AD 0.9800 . ?

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 Ag3 76.08(4) 3_565 . ?
Ag3 Ag1 Ag3 76.08(4) 3_565 2_665 ?
Ag3 Ag1 Ag3 76.08(4) 2_665 . ?
S7 Ag1 Ag3 110.16(8) 3_565 2_665 ?
S7 Ag1 Ag3 113.54(8) 3_565 . ?
S7 Ag1 Ag3 113.54(8) 2_665 3_565 ?
S7 Ag1 Ag3 110.16(8) 2_665 . ?
S7 Ag1 Ag3 46.06(8) . . ?
S7 Ag1 Ag3 46.06(8) 3_565 3_565 ?
S7 Ag1 Ag3 110.15(8) . 3_565 ?
S7 Ag1 Ag3 46.06(8) 2_665 2_665 ?
S7 Ag1 Ag3 113.55(8) . 2_665 ?
S7 Ag1 S7 119.941(11) 3_565 . ?
S7 Ag1 S7 119.947(8) . 2_665 ?
S7 Ag1 S7 119.944(10) 3_565 2_665 ?
Ag1 Ag3 Ag5 89.71(3) . . ?
S1 Ag3 Ag1 137.53(8) . . ?
S1 Ag3 Ag5 48.05(7) . . ?
S1 Ag3 S7 173.97(11) . . ?
S7 Ag3 Ag1 48.37(7) . . ?
S7 Ag3 Ag5 137.95(8) . . ?
Ag3 Ag5 Ag3 75.42(4) 3_565 2_665 ?
Ag3 Ag5 Ag3 75.42(4) 3_565 . ?
Ag3 Ag5 Ag3 75.42(4) 2_665 . ?
S1 Ag5 Ag3 108.62(9) 2_665 3_565 ?
S1 Ag5 Ag3 113.14(9) 2_665 . ?
S1 Ag5 Ag3 45.46(9) 3_565 3_565 ?
S1 Ag5 Ag3 108.62(9) . 2_665 ?
S1 Ag5 Ag3 45.46(9) . . ?
S1 Ag5 Ag3 113.14(9) . 3_565 ?
S1 Ag5 Ag3 108.62(9) 3_565 . ?
S1 Ag5 Ag3 113.14(9) 3_565 2_665 ?
S1 Ag5 Ag3 45.46(9) 2_665 2_665 ?
S1 Ag5 S1 119.997(5) 3_565 2_665 ?
S1 Ag5 S1 119.997(6) 3_565 . ?
S1 Ag5 S1 119.998(3) 2_665 . ?
Ag3 S1 Ag5 86.49(11) . . ?
C3 S1 Ag3 104.9(4) . . ?
C3 S1 Ag5 110.9(4) . . ?
Ag3 S7 Ag1 85.57(10) . . ?
C44 S7 Ag1 107.4(4) . . ?
C44 S7 Ag3 104.9(4) . . ?
C28 O3 C45 121.4(8) . . ?
C12 O10 C2 122.4(9) . . ?
C12 N1 C1 125.2(9) . . ?
C12 N1 C29 123.1(9) . . ?
C29 N1 C1 111.7(8) . . ?
C13 N2 C26 112.5(7) . . ?
C28 N2 C13 123.2(9) . . ?
C28 N2 C26 124.2(9) . . ?
N1 C1 H1A 111.3 . . ?
N1 C1 H1B 111.3 . . ?
N1 C1 C3 102.4(8) . . ?
H1A C1 H1B 109.2 . . ?
C3 C1 H1A 111.3 . . ?
C3 C1 H1B 111.3 . . ?
O10 C2 C67 109.9(10) . . ?
O10 C2 C70 110.6(11) . . ?
O10 C2 C98 102.0(10) . . ?
C67 C2 C98 112.6(14) . . ?
C70 C2 C67 111.9(13) . . ?
C70 C2 C98 109.5(13) . . ?
S1 C3 H3 108.1 . . ?
C1 C3 S1 111.2(8) . . ?
C1 C3 H3 108.1 . . ?
C1 C3 C8 103.4(9) . . ?
C8 C3 S1 117.5(8) . . ?
C8 C3 H3 108.1 . . ?
H6A C6 H6B 109.2 . . ?
C13 C6 H6A 111.3 . . ?
C13 C6 H6B 111.3 . . ?
C13 C6 C44 102.6(9) . . ?
C44 C6 H6A 111.3 . . ?
C44 C6 H6B 111.3 . . ?
C3 C8 H8A 111.4 . . ?
C3 C8 H8B 111.4 . . ?
H8A C8 H8B 109.3 . . ?
C29 C8 C3 101.8(9) . . ?
C29 C8 H8A 111.4 . . ?
C29 C8 H8B 111.4 . . ?
O14 C12 O10 125.0(11) . . ?
O14 C12 N1 123.9(12) . . ?
N1 C12 O10 111.0(10) . . ?
N2 C13 C6 104.2(8) . . ?
N2 C13 H13T 110.9 . . ?
N2 C13 H13U 110.9 . . ?
C6 C13 H13T 110.9 . . ?
C6 C13 H13U 110.9 . . ?
H13T C13 H13U 108.9 . . ?
N2 C26 H26A 111.2 . . ?
N2 C26 H26B 111.2 . . ?
N2 C26 C44 102.7(7) . . ?
H26A C26 H26B 109.1 . . ?
C44 C26 H26A 111.2 . . ?
C44 C26 H26B 111.2 . . ?
O17 C28 O3 125.6(10) . . ?
O17 C28 N2 124.1(11) . . ?
N2 C28 O3 110.3(9) . . ?
N1 C29 C8 102.8(9) . . ?
N1 C29 H29A 111.2 . . ?
N1 C29 H29B 111.2 . . ?
C8 C29 H29A 111.2 . . ?
C8 C29 H29B 111.2 . . ?
H29A C29 H29B 109.1 . . ?
S7 C44 H44 108.3 . . ?
C6 C44 S7 117.7(8) . . ?
C6 C44 H44 108.3 . . ?
C26 C44 S7 111.5(7) . . ?
C26 C44 C6 102.4(8) . . ?
C26 C44 H44 108.3 . . ?
O3 C45 C60 109.6(9) . . ?
O3 C45 C90 109.2(9) . . ?
O3 C45 C153 101.7(9) . . ?
C60 C45 C90 111.4(10) . . ?
C60 C45 C153 113.7(13) . . ?
C90 C45 C153 110.6(12) . . ?
C45 C60 H60A 109.5 . . ?
C45 C60 H60B 109.5 . . ?
C45 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C2 C67 H67A 109.5 . . ?
C2 C67 H67B 109.5 . . ?
C2 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C2 C70 H70A 109.5 . . ?
C2 C70 H70B 109.5 . . ?
C2 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C45 C90 H90A 109.5 . . ?
C45 C90 H90B 109.5 . . ?
C45 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C2 C98 H98A 109.5 . . ?
C2 C98 H98B 109.5 . . ?
C2 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C45 C153 H15O 109.5 . . ?
C45 C153 H15P 109.5 . . ?
C45 C153 H15Q 109.5 . . ?
H15O C153 H15P 109.5 . . ?
H15O C153 H15Q 109.5 . . ?
H15P C153 H15Q 109.5 . . ?
Ag6 Ag2 Ag7 75.21(3) . . ?
Ag8 Ag2 Ag6 76.16(3) . . ?
Ag8 Ag2 Ag7 75.78(3) . . ?
S2 Ag2 Ag6 110.41(9) . . ?
S2 Ag2 Ag7 44.76(8) . . ?
S2 Ag2 Ag8 110.28(9) . . ?
S2 Ag2 S3 121.84(10) . . ?
S2 Ag2 S4 120.95(10) . . ?
S3 Ag2 Ag6 46.08(9) . . ?
S3 Ag2 Ag7 112.36(8) . . ?
S3 Ag2 Ag8 110.80(9) . . ?
S4 Ag2 Ag6 112.10(8) . . ?
S4 Ag2 Ag7 113.62(9) . . ?
S4 Ag2 Ag8 47.21(9) . . ?
S4 Ag2 S3 117.09(9) . . ?
Ag6 Ag4 Ag8 74.11(3) . . ?
Ag7 Ag4 Ag6 76.84(3) . . ?
Ag7 Ag4 Ag8 75.98(3) . . ?
S6 Ag4 Ag6 108.26(9) . . ?
S6 Ag4 Ag7 111.61(9) . . ?
S6 Ag4 Ag8 45.03(9) . . ?
S6 Ag4 S12 119.36(10) . . ?
S6 Ag4 S13 122.10(10) . . ?
S12 Ag4 Ag6 45.78(9) . . ?
S12 Ag4 Ag7 110.94(9) . . ?
S12 Ag4 Ag8 111.22(8) . . ?
S13 Ag4 Ag6 113.51(8) . . ?
S13 Ag4 Ag7 47.08(8) . . ?
S13 Ag4 Ag8 113.45(8) . . ?
S13 Ag4 S12 118.44(10) . . ?
Ag2 Ag6 Ag4 89.67(3) . . ?
S3 Ag6 Ag2 49.28(7) . . ?
S3 Ag6 Ag4 138.93(8) . . ?
S3 Ag6 S12 172.63(8) . . ?
S12 Ag6 Ag2 138.02(7) . . ?
S12 Ag6 Ag4 48.41(7) . . ?
Ag4 Ag7 Ag2 89.73(3) . . ?
S2 Ag7 Ag2 47.58(7) . . ?
S2 Ag7 Ag4 137.31(8) . . ?
S2 Ag7 S13 173.12(9) . . ?
S13 Ag7 Ag2 139.30(7) . . ?
S13 Ag7 Ag4 49.56(7) . . ?
Ag2 Ag8 Ag4 90.01(2) . . ?
S4 Ag8 Ag2 50.09(7) . . ?
S4 Ag8 Ag4 140.08(7) . . ?
S6 Ag8 Ag2 137.15(8) . . ?
S6 Ag8 Ag4 47.17(7) . . ?
S6 Ag8 S4 172.47(9) . . ?
Ag12 Ag9 Ag10 75.60(3) . 3 ?
Ag12 Ag9 Ag15 75.92(3) . . ?
Ag15 Ag9 Ag10 75.72(3) . 3 ?
S14 Ag9 Ag10 112.33(8) . 3 ?
S14 Ag9 Ag12 46.59(9) . . ?
S14 Ag9 Ag15 111.83(9) . . ?
S16 Ag9 Ag10 44.54(9) 3 3 ?
S16 Ag9 Ag12 109.69(9) 3 . ?
S16 Ag9 Ag15 111.09(9) 3 . ?
S16 Ag9 S14 119.45(10) 3 . ?
S17 Ag9 Ag10 113.12(9) . 3 ?
S17 Ag9 Ag12 110.08(9) . . ?
S17 Ag9 Ag15 45.90(9) . . ?
S17 Ag9 S14 117.08(10) . . ?
S17 Ag9 S16 123.41(9) . 3 ?
Ag13 Ag10 Ag9 89.37(2) 2 2 ?
S5 Ag10 Ag9 138.97(7) . 2 ?
S5 Ag10 Ag13 49.61(7) . 2 ?
S16 Ag10 Ag9 47.30(7) . 2 ?
S16 Ag10 Ag13 136.67(7) . 2 ?
S16 Ag10 S5 173.71(8) . . ?
Ag9 Ag12 Ag13 89.59(3) . . ?
S8 Ag12 Ag9 137.03(8) . . ?
S8 Ag12 Ag13 47.53(7) . . ?
S14 Ag12 Ag9 49.84(8) . . ?
S14 Ag12 Ag13 139.43(8) . . ?
S14 Ag12 S8 172.74(9) . . ?
Ag10 Ag13 Ag12 75.88(3) 3 . ?
Ag10 Ag13 Ag15 77.79(3) 3 . ?
Ag15 Ag13 Ag12 74.36(3) . . ?
S5 Ag13 Ag10 47.02(8) 3 3 ?
S5 Ag13 Ag12 113.20(8) 3 . ?
S5 Ag13 Ag15 114.38(8) 3 . ?
S5 Ag13 S8 117.91(9) 3 . ?
S8 Ag13 Ag10 108.73(9) . 3 ?
S8 Ag13 Ag12 44.89(9) . . ?
S8 Ag13 Ag15 110.50(9) . . ?
S11 Ag13 Ag10 113.39(9) . 3 ?
S11 Ag13 Ag12 110.62(9) . . ?
S11 Ag13 Ag15 46.11(9) . . ?
S11 Ag13 S5 120.89(9) . 3 ?
S11 Ag13 S8 121.05(10) . . ?
Ag13 Ag15 Ag9 89.65(2) . . ?
S11 Ag15 Ag9 138.02(7) . . ?
S11 Ag15 Ag13 48.37(7) . . ?
S17 Ag15 Ag9 48.54(7) . . ?
S17 Ag15 Ag13 138.17(7) . . ?
S17 Ag15 S11 173.38(8) . . ?
Ag7 S2 Ag2 87.66(11) . . ?
C91 S2 Ag2 107.3(4) . . ?
C91 S2 Ag7 104.9(4) . . ?
Ag6 S3 Ag2 84.64(10) . . ?
C15 S3 Ag2 110.7(4) . . ?
C15 S3 Ag6 103.8(4) . . ?
Ag8 S4 Ag2 82.71(11) . . ?
C64 S4 Ag2 111.4(4) . . ?
C64 S4 Ag8 105.5(4) . . ?
Ag10 S5 Ag13 83.37(10) . 2 ?
C18 S5 Ag10 105.0(4) . . ?
C18 S5 Ag13 108.8(4) . 2 ?
Ag8 S6 Ag4 87.80(11) . . ?
C33 S6 Ag4 105.5(4) . . ?
C33 S6 Ag8 103.3(4) . . ?
Ag12 S8 Ag13 87.58(11) . . ?
C54 S8 Ag12 104.3(4) . . ?
C54 S8 Ag13 107.3(4) . . ?
Ag15 S11 Ag13 85.52(11) . . ?
C14 S11 Ag13 107.6(4) . . ?
C14 S11 Ag15 104.7(4) . . ?
Ag6 S12 Ag4 85.82(11) . . ?
C17 S12 Ag4 107.5(4) . . ?
C17 S12 Ag6 104.6(4) . . ?
Ag7 S13 Ag4 83.35(10) . . ?
C61 S13 Ag4 108.6(3) . . ?
C61 S13 Ag7 105.5(4) . . ?
Ag12 S14 Ag9 83.57(11) . . ?
C68 S14 Ag9 111.1(4) . . ?
C68 S14 Ag12 106.7(4) . . ?
Ag10 S16 Ag9 88.16(11) . 2 ?
C32 S16 Ag9 107.9(4) . 2 ?
C32 S16 Ag10 106.7(4) . . ?
Ag15 S17 Ag9 85.56(11) . . ?
C122 S17 Ag9 108.2(3) . . ?
C122 S17 Ag15 106.2(4) . . ?
O19 Na1 O0AA 89.2(4) . . ?
O22 Na1 O19 124.7(3) . . ?
O22 Na1 O0AA 97.2(5) . . ?
O38 Na1 O19 89.1(3) . . ?
O38 Na1 O22 97.4(3) . . ?
O38 Na1 O0AA 163.4(4) . . ?
O39 Na1 O19 120.9(4) . . ?
O39 Na1 O22 114.3(4) . . ?
O39 Na1 O38 87.8(4) . . ?
O39 Na1 O0AA 78.9(4) . . ?
O23 Na2 O25 126.4(3) . . ?
O23 Na2 O3AA 87.8(5) . . ?
O23 Na2 O4AA 86.4(6) . . ?
O25 Na2 O4AA 75.0(5) . . ?
O36 Na2 O23 88.9(3) . . ?
O36 Na2 O25 97.1(3) . . ?
O36 Na2 O3AA 159.7(5) . . ?
O36 Na2 O4AA 165.6(5) . . ?
O40 Na2 O23 119.3(4) . . ?
O40 Na2 O25 114.2(4) . . ?
O40 Na2 O36 86.9(4) . . ?
O40 Na2 O3AA 77.4(5) . . ?
O40 Na2 O4AA 107.3(6) . . ?
O3AA Na2 O25 101.0(5) . . ?
O5 Na3 O21 126.4(4) 2_665 . ?
O5 Na3 O41 88.5(4) 2_665 . ?
O5 Na3 O45 91.7(6) 2_665 . ?
O5 Na3 H45 99.6 2_665 . ?
O5 Na3 O1AA 88.3(4) 2_665 . ?
O21 Na3 O41 96.4(4) . . ?
O21 Na3 O45 100.3(6) . . ?
O21 Na3 H45 108.4 . . ?
O21 Na3 O1AA 75.4(4) . . ?
O41 Na3 O45 159.1(6) . . ?
O41 Na3 H45 141.0 . . ?
O41 Na3 O1AA 166.8(4) . . ?
O42 Na3 O5 116.4(4) . 2_665 ?
O42 Na3 O21 117.0(4) . . ?
O42 Na3 O41 87.9(4) . . ?
O42 Na3 O45 73.3(6) . . ?
O42 Na3 H45 54.3 . . ?
O42 Na3 O1AA 105.0(5) . . ?
O45 Na3 H45 19.0 . . ?
C4 O1 C19 120.9(8) . . ?
C10 O2 C27 120.8(9) . . ?
C4 O5 Na3 151.4(7) . 3_565 ?
C9 O6 C52 120.0(9) . . ?
C66 O7 C53 119.2(9) . . ?
C46 O8 C23 119.1(8) . . ?
C102 O9 C24 120.5(9) . . ?
C58 O11 C36 121.8(9) . . ?
C107 O12 C75 119.5(9) . . ?
C132 O13 C143 121.1(9) . . ?
C129 O15 C77 119.5(9) . . ?
C106 O16 C63 120.5(7) . . ?
C106 O19 Na1 153.1(7) . . ?
C66 O21 Na3 152.6(9) . . ?
C102 O22 Na1 154.7(8) . . ?
C145 O23 Na2 150.1(7) . . ?
C145 O24 C83 120.9(7) . . ?
C58 O25 Na2 152.9(8) . . ?
Na2 O36 H36A 111.8 . . ?
Na2 O36 H36B 111.4 . . ?
H36A O36 H36B 102.1 . . ?
Na1 O38 H38A 128.4 . . ?
Na1 O38 H38B 106.9 . . ?
H38A O38 H38B 104.5 . . ?
Na1 O39 H39A 135.9 . . ?
Na1 O39 H39B 117.5 . . ?
H39A O39 H39B 104.5 . . ?
Na2 O40 H40A 137.9 . . ?
Na2 O40 H40B 109.8 . . ?
H40A O40 H40B 104.1 . . ?
Na3 O41 H41A 123.7 . . ?
Na3 O41 H41B 125.3 . . ?
H41A O41 H41B 102.5 . . ?
Na3 O42 H42A 127.4 . . ?
Na3 O42 H42B 127.9 . . ?
H42A O42 H42B 104.3 . . ?
C4 N3 C30 128.4(9) . . ?
C4 N3 C94 118.7(9) . . ?
C30 N3 C94 112.7(8) . . ?
C7 N4 C47 111.4(9) . . ?
C10 N4 C7 127.4(10) . . ?
C10 N4 C47 121.0(10) . . ?
C5 N5 C71 112.9(8) . . ?
C46 N5 C5 125.9(9) . . ?
C46 N5 C71 121.2(9) . . ?
C25 N6 C39 114.1(9) . . ?
C66 N6 C25 121.7(10) . . ?
C66 N6 C39 124.2(10) . . ?
C58 N7 C49 124.8(10) . . ?
C58 N7 C73 122.8(10) . . ?
C73 N7 C49 112.4(8) . . ?
C78 N8 C128 111.1(9) . . ?
C102 N8 C78 127.6(10) . . ?
C102 N8 C128 121.2(10) . . ?
C85 N9 C41 112.4(8) . . ?
C132 N9 C41 126.9(10) . . ?
C132 N9 C85 120.7(10) . . ?
C9 N12 C11 127.5(9) . . ?
C9 N12 C110 120.9(10) . . ?
C11 N12 C110 111.5(9) . . ?
C137 N13 C65 111.9(8) . . ?
C145 N13 C65 126.6(9) . . ?
C145 N13 C137 121.4(8) . . ?
C111 N15 C152 113.5(9) . . ?
C129 N15 C111 124.6(10) . . ?
C129 N15 C152 121.8(10) . . ?
C106 N16 C51 127.4(9) . . ?
C106 N16 C113 121.2(9) . . ?
C113 N16 C51 111.1(8) . . ?
C34 N18 C126 113.1(8) . . ?
C107 N18 C34 125.6(9) . . ?
C107 N18 C126 121.2(9) . . ?
O5 C4 O1 125.4(9) . . ?
O5 C4 N3 124.3(10) . . ?
N3 C4 O1 110.3(9) . . ?
N5 C5 H5A 111.3 . . ?
N5 C5 H5B 111.3 . . ?
N5 C5 C33 102.3(8) . . ?
H5A C5 H5B 109.2 . . ?
C33 C5 H5A 111.3 . . ?
C33 C5 H5B 111.3 . . ?
N4 C7 H7A 111.0 . . ?
N4 C7 H7B 111.0 . . ?
N4 C7 C64 103.8(8) . . ?
H7A C7 H7B 109.0 . . ?
C64 C7 H7A 111.0 . . ?
C64 C7 H7B 111.0 . . ?
O30 C9 O6 125.1(10) . . ?
O30 C9 N12 124.1(11) . . ?
N12 C9 O6 110.8(9) . . ?
O4 C10 O2 124.8(11) . . ?
O4 C10 N4 125.7(12) . . ?
N4 C10 O2 109.3(10) . . ?
N12 C11 H11A 111.1 . . ?
N12 C11 H11B 111.1 . . ?
N12 C11 C54 103.2(9) . . ?
H11A C11 H11B 109.1 . . ?
C54 C11 H11A 111.1 . . ?
C54 C11 H11B 111.1 . . ?
S11 C14 H14 107.1 . . ?
C78 C14 S11 112.7(8) . . ?
C78 C14 H14 107.1 . . ?
C78 C14 C92 102.9(9) . . ?
C92 C14 S11 119.2(8) . . ?
C92 C14 H14 107.1 . . ?
S3 C15 H15 106.2 . . ?
C21 C15 S3 118.2(8) . . ?
C21 C15 H15 106.2 . . ?
C65 C15 S3 114.9(8) . . ?
C65 C15 H15 106.2 . . ?
C65 C15 C21 104.3(9) . . ?
S12 C17 H17 108.1 . . ?
C41 C17 S12 112.3(8) . . ?
C41 C17 H17 108.1 . . ?
C86 C17 S12 117.2(8) . . ?
C86 C17 H17 108.1 . . ?
C86 C17 C41 102.6(9) . . ?
S5 C18 H18 107.5 . . ?
C37 C18 S5 120.0(8) . . ?
C37 C18 H18 107.5 . . ?
C49 C18 S5 111.3(7) . . ?
C49 C18 H18 107.5 . . ?
C49 C18 C37 102.2(9) . . ?
O1 C19 C31 108.1(9) . . ?
O1 C19 C43 101.5(9) . . ?
C43 C19 C31 111.8(12) . . ?
C80 C19 O1 112.5(9) . . ?
C80 C19 C31 111.1(11) . . ?
C80 C19 C43 111.5(11) . . ?
C15 C21 H21A 111.3 . . ?
C15 C21 H21B 111.3 . . ?
H21A C21 H21B 109.2 . . ?
C137 C21 C15 102.3(8) . . ?
C137 C21 H21A 111.3 . . ?
C137 C21 H21B 111.3 . . ?
O8 C23 C82 101.4(9) . . ?
O8 C23 C105 110.3(8) . . ?
C82 C23 C105 109.6(12) . . ?
C124 C23 O8 111.0(9) . . ?
C124 C23 C82 110.4(13) . . ?
C124 C23 C105 113.5(11) . . ?
O9 C24 C116 109.7(10) . . ?
O9 C24 C135 102.1(9) . . ?
O9 C24 C147 110.2(9) . . ?
C116 C24 C135 110.6(12) . . ?
C147 C24 C116 111.4(10) . . ?
C147 C24 C135 112.4(12) . . ?
N6 C25 H25A 111.4 . . ?
N6 C25 H25B 111.4 . . ?
N6 C25 C56 101.9(9) . . ?
H25A C25 H25B 109.2 . . ?
C56 C25 H25A 111.4 . . ?
C56 C25 H25B 111.4 . . ?
O2 C27 C42 109.4(11) . . ?
C89 C27 O2 109.1(10) . . ?
C89 C27 C42 111.6(13) . . ?
C89 C27 C127 113.2(14) . . ?
C127 C27 O2 103.5(11) . . ?
C127 C27 C42 109.8(13) . . ?
N3 C30 H30A 111.0 . . ?
N3 C30 H30B 111.0 . . ?
N3 C30 C32 103.9(8) . . ?
H30A C30 H30B 109.0 . . ?
C32 C30 H30A 111.0 . . ?
C32 C30 H30B 111.0 . . ?
C19 C31 H31A 109.5 . . ?
C19 C31 H31B 109.5 . . ?
C19 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
S16 C32 H32 108.3 . . ?
C30 C32 S16 113.4(7) . . ?
C30 C32 H32 108.3 . . ?
C81 C32 S16 118.3(8) . . ?
C81 C32 C30 99.7(9) . . ?
C81 C32 H32 108.3 . . ?
S6 C33 H33 107.0 . . ?
C5 C33 S6 112.4(7) . . ?
C5 C33 H33 107.0 . . ?
C50 C33 S6 119.4(8) . . ?
C50 C33 C5 103.4(9) . . ?
C50 C33 H33 107.0 . . ?
N18 C34 H34A 111.4 . . ?
N18 C34 H34B 111.4 . . ?
N18 C34 C122 102.0(8) . . ?
H34A C34 H34B 109.2 . . ?
C122 C34 H34A 111.4 . . ?
C122 C34 H34B 111.4 . . ?
H35A C35 H35B 109.2 . . ?
C47 C35 H35A 111.4 . . ?
C47 C35 H35B 111.4 . . ?
C47 C35 C64 102.1(10) . . ?
C64 C35 H35A 111.4 . . ?
C64 C35 H35B 111.4 . . ?
O11 C36 C59 108.7(10) . . ?
O11 C36 C108 110.7(9) . . ?
O11 C36 C112 103.7(10) . . ?
C108 C36 C59 110.8(11) . . ?
C112 C36 C59 113.0(13) . . ?
C112 C36 C108 109.7(12) . . ?
C18 C37 H37A 111.0 . . ?
C18 C37 H37B 111.0 . . ?
H37A C37 H37B 109.0 . . ?
C73 C37 C18 103.8(10) . . ?
C73 C37 H37A 111.0 . . ?
C73 C37 H37B 111.0 . . ?
N6 C39 H39C 111.3 . . ?
N6 C39 H39D 111.3 . . ?
N6 C39 C61 102.4(9) . . ?
H39C C39 H39D 109.2 . . ?
C61 C39 H39C 111.3 . . ?
C61 C39 H39D 111.3 . . ?
N9 C41 C17 103.2(8) . . ?
N9 C41 H41C 111.1 . . ?
N9 C41 H41D 111.1 . . ?
C17 C41 H41C 111.1 . . ?
C17 C41 H41D 111.1 . . ?
H41C C41 H41D 109.1 . . ?
C27 C42 H42C 109.5 . . ?
C27 C42 H42D 109.5 . . ?
C27 C42 H42E 109.5 . . ?
H42C C42 H42D 109.5 . . ?
H42C C42 H42E 109.5 . . ?
H42D C42 H42E 109.5 . . ?
C19 C43 H43A 109.5 . . ?
C19 C43 H43B 109.5 . . ?
C19 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O8 C46 N5 111.4(9) . . ?
O31 C46 O8 125.8(9) . . ?
O31 C46 N5 122.6(10) . . ?
N4 C47 C35 101.3(10) . . ?
N4 C47 H47A 111.5 . . ?
N4 C47 H47B 111.5 . . ?
C35 C47 H47A 111.5 . . ?
C35 C47 H47B 111.5 . . ?
H47A C47 H47B 109.3 . . ?
N7 C49 C18 102.7(8) . . ?
N7 C49 H49A 111.2 . . ?
N7 C49 H49B 111.2 . . ?
C18 C49 H49A 111.2 . . ?
C18 C49 H49B 111.2 . . ?
H49A C49 H49B 109.1 . . ?
C33 C50 H50A 110.8 . . ?
C33 C50 H50B 110.8 . . ?
C33 C50 C71 104.8(10) . . ?
H50A C50 H50B 108.9 . . ?
C71 C50 H50A 110.8 . . ?
C71 C50 H50B 110.8 . . ?
N16 C51 H51A 111.3 . . ?
N16 C51 H51B 111.3 . . ?
N16 C51 C91 102.3(8) . . ?
H51A C51 H51B 109.2 . . ?
C91 C51 H51A 111.3 . . ?
C91 C51 H51B 111.3 . . ?
O6 C52 C97 108.2(9) . . ?
O6 C52 C125 102.7(9) . . ?
C115 C52 O6 112.2(9) . . ?
C115 C52 C97 111.3(11) . . ?
C115 C52 C125 109.6(13) . . ?
C125 C52 C97 112.5(13) . . ?
O7 C53 C84 100.9(10) . . ?
O7 C53 C87 110.0(10) . . ?
O7 C53 C141 111.0(10) . . ?
C84 C53 C141 109.3(13) . . ?
C87 C53 C84 110.8(13) . . ?
C87 C53 C141 114.0(11) . . ?
S8 C54 H54 108.5 . . ?
C11 C54 S8 113.1(8) . . ?
C11 C54 H54 108.5 . . ?
C11 C54 C119 102.6(9) . . ?
C119 C54 S8 115.3(8) . . ?
C119 C54 H54 108.5 . . ?
C25 C56 H56A 111.1 . . ?
C25 C56 H56B 111.1 . . ?
H56A C56 H56B 109.1 . . ?
C61 C56 C25 103.4(9) . . ?
C61 C56 H56A 111.1 . . ?
C61 C56 H56B 111.1 . . ?
O25 C58 O11 126.4(10) . . ?
O25 C58 N7 123.8(11) . . ?
N7 C58 O11 109.7(9) . . ?
C36 C59 H59A 109.5 . . ?
C36 C59 H59B 109.5 . . ?
C36 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
S13 C61 H61 107.6 . . ?
C39 C61 S13 111.6(7) . . ?
C39 C61 H61 107.6 . . ?
C56 C61 S13 118.4(7) . . ?
C56 C61 C39 103.4(9) . . ?
C56 C61 H61 107.6 . . ?
O16 C63 C133 110.0(9) . . ?
O16 C63 C134 103.5(8) . . ?
O16 C63 C160 110.4(8) . . ?
C133 C63 C134 113.2(10) . . ?
C133 C63 C160 111.7(10) . . ?
C134 C63 C160 107.7(9) . . ?
S4 C64 H64 108.3 . . ?
C7 C64 S4 112.8(8) . . ?
C7 C64 C35 101.2(10) . . ?
C7 C64 H64 108.3 . . ?
C35 C64 S4 117.7(8) . . ?
C35 C64 H64 108.3 . . ?
N13 C65 C15 102.6(8) . . ?
N13 C65 H65A 111.2 . . ?
N13 C65 H65B 111.2 . . ?
C15 C65 H65A 111.2 . . ?
C15 C65 H65B 111.2 . . ?
H65A C65 H65B 109.2 . . ?
O7 C66 N6 109.5(10) . . ?
O21 C66 O7 127.2(11) . . ?
O21 C66 N6 123.3(12) . . ?
S14 C68 H68 107.4 . . ?
C111 C68 S14 111.6(8) . . ?
C111 C68 H68 107.4 . . ?
C131 C68 S14 119.1(8) . . ?
C131 C68 H68 107.4 . . ?
C131 C68 C111 103.4(10) . . ?
N5 C71 C50 103.0(9) . . ?
N5 C71 H71A 111.2 . . ?
N5 C71 H71B 111.2 . . ?
C50 C71 H71A 111.2 . . ?
C50 C71 H71B 111.2 . . ?
H71A C71 H71B 109.1 . . ?
N7 C73 C37 102.6(9) . . ?
N7 C73 H73A 111.2 . . ?
N7 C73 H73B 111.2 . . ?
C37 C73 H73A 111.2 . . ?
C37 C73 H73B 111.2 . . ?
H73A C73 H73B 109.2 . . ?
O12 C75 C148 101.8(9) . . ?
O12 C75 C149 110.3(9) . . ?
O12 C75 C155 111.3(10) . . ?
C148 C75 C149 111.1(12) . . ?
C148 C75 C155 110.6(12) . . ?
C155 C75 C149 111.4(11) . . ?
O15 C77 C120 111.3(9) . . ?
O15 C77 C139 110.6(10) . . ?
O15 C77 C150 102.5(9) . . ?
C120 C77 C139 109.6(10) . . ?
C150 C77 C120 111.9(13) . . ?
C150 C77 C139 110.8(13) . . ?
N8 C78 C14 104.0(8) . . ?
N8 C78 H78A 111.0 . . ?
N8 C78 H78B 111.0 . . ?
C14 C78 H78A 111.0 . . ?
C14 C78 H78B 111.0 . . ?
H78A C78 H78B 109.0 . . ?
H79A C79 H79B 109.2 . . ?
C91 C79 H79A 111.3 . . ?
C91 C79 H79B 111.3 . . ?
C113 C79 H79A 111.3 . . ?
C113 C79 H79B 111.3 . . ?
C113 C79 C91 102.2(9) . . ?
C19 C80 H80A 109.5 . . ?
C19 C80 H80B 109.5 . . ?
C19 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C32 C81 H81A 110.6 . . ?
C32 C81 H81B 110.6 . . ?
C32 C81 C94 105.7(9) . . ?
H81A C81 H81B 108.7 . . ?
C94 C81 H81A 110.6 . . ?
C94 C81 H81B 110.6 . . ?
C23 C82 H82A 109.5 . . ?
C23 C82 H82B 109.5 . . ?
C23 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
O24 C83 C157 110.5(8) . . ?
C118 C83 O24 101.7(8) . . ?
C118 C83 C157 108.4(9) . . ?
C130 C83 O24 109.7(8) . . ?
C130 C83 C118 114.2(10) . . ?
C130 C83 C157 111.9(9) . . ?
C53 C84 H84A 109.5 . . ?
C53 C84 H84B 109.5 . . ?
C53 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
N9 C85 H85A 111.3 . . ?
N9 C85 H85B 111.3 . . ?
N9 C85 C86 102.1(8) . . ?
H85A C85 H85B 109.2 . . ?
C86 C85 H85A 111.3 . . ?
C86 C85 H85B 111.3 . . ?
C17 C86 C85 103.7(9) . . ?
C17 C86 H86A 111.0 . . ?
C17 C86 H86B 111.0 . . ?
C85 C86 H86A 111.0 . . ?
C85 C86 H86B 111.0 . . ?
H86A C86 H86B 109.0 . . ?
C53 C87 H87A 109.5 . . ?
C53 C87 H87B 109.5 . . ?
C53 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C27 C89 H89A 109.5 . . ?
C27 C89 H89B 109.5 . . ?
C27 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
S2 C91 H91 106.8 . . ?
C51 C91 S2 114.0(8) . . ?
C51 C91 H91 106.8 . . ?
C79 C91 S2 117.6(8) . . ?
C79 C91 C51 104.1(10) . . ?
C79 C91 H91 106.8 . . ?
C14 C92 H92A 111.0 . . ?
C14 C92 H92B 111.0 . . ?
H92A C92 H92B 109.0 . . ?
C128 C92 C14 104.0(10) . . ?
C128 C92 H92A 111.0 . . ?
C128 C92 H92B 111.0 . . ?
N3 C94 C81 101.7(8) . . ?
N3 C94 H94A 111.4 . . ?
N3 C94 H94B 111.4 . . ?
C81 C94 H94A 111.4 . . ?
C81 C94 H94B 111.4 . . ?
H94A C94 H94B 109.3 . . ?
C52 C97 H97A 109.5 . . ?
C52 C97 H97B 109.5 . . ?
C52 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
O22 C102 O9 124.6(11) . . ?
O22 C102 N8 124.9(11) . . ?
N8 C102 O9 110.4(10) . . ?
C23 C105 H10A 109.5 . . ?
C23 C105 H10B 109.5 . . ?
C23 C105 H10C 109.5 . . ?
H10A C105 H10B 109.5 . . ?
H10A C105 H10C 109.5 . . ?
H10B C105 H10C 109.5 . . ?
O16 C106 N16 110.6(8) . . ?
O19 C106 O16 126.1(8) . . ?
O19 C106 N16 123.3(9) . . ?
O12 C107 N18 110.6(9) . . ?
O26 C107 O12 125.8(10) . . ?
O26 C107 N18 123.4(11) . . ?
C36 C108 H10D 109.5 . . ?
C36 C108 H10E 109.5 . . ?
C36 C108 H10F 109.5 . . ?
H10D C108 H10E 109.5 . . ?
H10D C108 H10F 109.5 . . ?
H10E C108 H10F 109.5 . . ?
N12 C110 H11C 111.1 . . ?
N12 C110 H11D 111.1 . . ?
N12 C110 C119 103.3(10) . . ?
H11C C110 H11D 109.1 . . ?
C119 C110 H11C 111.1 . . ?
C119 C110 H11D 111.1 . . ?
N15 C111 C68 102.5(9) . . ?
N15 C111 H11E 111.3 . . ?
N15 C111 H11F 111.3 . . ?
C68 C111 H11E 111.3 . . ?
C68 C111 H11F 111.3 . . ?
H11E C111 H11F 109.2 . . ?
C36 C112 H11G 109.5 . . ?
C36 C112 H11H 109.5 . . ?
C36 C112 H11I 109.5 . . ?
H11G C112 H11H 109.5 . . ?
H11G C112 H11I 109.5 . . ?
H11H C112 H11I 109.5 . . ?
N16 C113 C79 104.8(9) . . ?
N16 C113 H11J 110.8 . . ?
N16 C113 H11K 110.8 . . ?
C79 C113 H11J 110.8 . . ?
C79 C113 H11K 110.8 . . ?
H11J C113 H11K 108.9 . . ?
H11L C114 H11M 109.5 . . ?
H11L C114 H11N 109.5 . . ?
H11M C114 H11N 109.5 . . ?
C143 C114 H11L 109.5 . . ?
C143 C114 H11M 109.5 . . ?
C143 C114 H11N 109.5 . . ?
C52 C115 H11O 109.5 . . ?
C52 C115 H11P 109.5 . . ?
C52 C115 H11Q 109.5 . . ?
H11O C115 H11P 109.5 . . ?
H11O C115 H11Q 109.5 . . ?
H11P C115 H11Q 109.5 . . ?
C24 C116 H11R 109.5 . . ?
C24 C116 H11S 109.5 . . ?
C24 C116 H11T 109.5 . . ?
H11R C116 H11S 109.5 . . ?
H11R C116 H11T 109.5 . . ?
H11S C116 H11T 109.5 . . ?
C83 C118 H11U 109.5 . . ?
C83 C118 H11V 109.5 . . ?
C83 C118 H11W 109.5 . . ?
H11U C118 H11V 109.5 . . ?
H11U C118 H11W 109.5 . . ?
H11V C118 H11W 109.5 . . ?
C54 C119 H11X 111.5 . . ?
C54 C119 H11Y 111.5 . . ?
C110 C119 C54 101.2(10) . . ?
C110 C119 H11X 111.5 . . ?
C110 C119 H11Y 111.5 . . ?
H11X C119 H11Y 109.4 . . ?
C77 C120 H12A 109.5 . . ?
C77 C120 H12B 109.5 . . ?
C77 C120 H12C 109.5 . . ?
H12A C120 H12B 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
S17 C122 H122 107.9 . . ?
C34 C122 S17 112.5(7) . . ?
C34 C122 H122 107.9 . . ?
C142 C122 S17 117.7(8) . . ?
C142 C122 C34 102.4(9) . . ?
C142 C122 H122 107.9 . . ?
H12D C123 H12E 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C143 C123 H12D 109.5 . . ?
C143 C123 H12E 109.5 . . ?
C143 C123 H12F 109.5 . . ?
C23 C124 H12G 109.5 . . ?
C23 C124 H12H 109.5 . . ?
C23 C124 H12I 109.5 . . ?
H12G C124 H12H 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
C52 C125 H12J 109.5 . . ?
C52 C125 H12K 109.5 . . ?
C52 C125 H12L 109.5 . . ?
H12J C125 H12K 109.5 . . ?
H12J C125 H12L 109.5 . . ?
H12K C125 H12L 109.5 . . ?
N18 C126 H12M 111.3 . . ?
N18 C126 H12N 111.3 . . ?
N18 C126 C142 102.2(9) . . ?
H12M C126 H12N 109.2 . . ?
C142 C126 H12M 111.3 . . ?
C142 C126 H12N 111.3 . . ?
C27 C127 H12O 109.5 . . ?
C27 C127 H12P 109.5 . . ?
C27 C127 H12Q 109.5 . . ?
H12O C127 H12P 109.5 . . ?
H12O C127 H12Q 109.5 . . ?
H12P C127 H12Q 109.5 . . ?
N8 C128 C92 102.8(9) . . ?
N8 C128 H12R 111.2 . . ?
N8 C128 H12S 111.2 . . ?
C92 C128 H12R 111.2 . . ?
C92 C128 H12S 111.2 . . ?
H12R C128 H12S 109.1 . . ?
O15 C129 N15 110.2(10) . . ?
O28 C129 O15 128.6(10) . . ?
O28 C129 N15 121.2(11) . . ?
C83 C130 H13A 109.5 . . ?
C83 C130 H13B 109.5 . . ?
C83 C130 H13C 109.5 . . ?
H13A C130 H13B 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
C68 C131 H13D 111.1 . . ?
C68 C131 H13E 111.1 . . ?
C68 C131 C152 103.2(10) . . ?
H13D C131 H13E 109.1 . . ?
C152 C131 H13D 111.1 . . ?
C152 C131 H13E 111.1 . . ?
O13 C132 N9 110.5(10) . . ?
O32 C132 O13 125.2(10) . . ?
O32 C132 N9 124.2(12) . . ?
C63 C133 H13F 109.5 . . ?
C63 C133 H13G 109.5 . . ?
C63 C133 H13H 109.5 . . ?
H13F C133 H13G 109.5 . . ?
H13F C133 H13H 109.5 . . ?
H13G C133 H13H 109.5 . . ?
C63 C134 H13I 109.5 . . ?
C63 C134 H13J 109.5 . . ?
C63 C134 H13K 109.5 . . ?
H13I C134 H13J 109.5 . . ?
H13I C134 H13K 109.5 . . ?
H13J C134 H13K 109.5 . . ?
C24 C135 H13L 109.5 . . ?
C24 C135 H13M 109.5 . . ?
C24 C135 H13N 109.5 . . ?
H13L C135 H13M 109.5 . . ?
H13L C135 H13N 109.5 . . ?
H13M C135 H13N 109.5 . . ?
N13 C137 C21 104.3(8) . . ?
N13 C137 H13O 110.9 . . ?
N13 C137 H13P 110.9 . . ?
C21 C137 H13O 110.9 . . ?
C21 C137 H13P 110.9 . . ?
H13O C137 H13P 108.9 . . ?
C77 C139 H13Q 109.5 . . ?
C77 C139 H13R 109.5 . . ?
C77 C139 H13S 109.5 . . ?
H13Q C139 H13R 109.5 . . ?
H13Q C139 H13S 109.5 . . ?
H13R C139 H13S 109.5 . . ?
C53 C141 H14A 109.5 . . ?
C53 C141 H14B 109.5 . . ?
C53 C141 H14C 109.5 . . ?
H14A C141 H14B 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C122 C142 C126 101.9(9) . . ?
C122 C142 H14D 111.4 . . ?
C122 C142 H14E 111.4 . . ?
C126 C142 H14D 111.4 . . ?
C126 C142 H14E 111.4 . . ?
H14D C142 H14E 109.3 . . ?
O13 C143 C114 109.2(9) . . ?
C123 C143 O13 100.9(10) . . ?
C123 C143 C114 112.8(13) . . ?
C158 C143 O13 109.6(10) . . ?
C158 C143 C114 112.6(12) . . ?
C158 C143 C123 111.0(14) . . ?
O23 C145 O24 125.2(8) . . ?
O23 C145 N13 123.4(9) . . ?
N13 C145 O24 111.4(8) . . ?
C24 C147 H14F 109.5 . . ?
C24 C147 H14G 109.5 . . ?
C24 C147 H14H 109.5 . . ?
H14F C147 H14G 109.5 . . ?
H14F C147 H14H 109.5 . . ?
H14G C147 H14H 109.5 . . ?
C75 C148 H14I 109.5 . . ?
C75 C148 H14J 109.5 . . ?
C75 C148 H14K 109.5 . . ?
H14I C148 H14J 109.5 . . ?
H14I C148 H14K 109.5 . . ?
H14J C148 H14K 109.5 . . ?
C75 C149 H14L 109.5 . . ?
C75 C149 H14M 109.5 . . ?
C75 C149 H14N 109.5 . . ?
H14L C149 H14M 109.5 . . ?
H14L C149 H14N 109.5 . . ?
H14M C149 H14N 109.5 . . ?
C77 C150 H15A 109.5 . . ?
C77 C150 H15B 109.5 . . ?
C77 C150 H15C 109.5 . . ?
H15A C150 H15B 109.5 . . ?
H15A C150 H15C 109.5 . . ?
H15B C150 H15C 109.5 . . ?
N15 C152 C131 102.3(9) . . ?
N15 C152 H15D 111.3 . . ?
N15 C152 H15E 111.3 . . ?
C131 C152 H15D 111.3 . . ?
C131 C152 H15E 111.3 . . ?
H15D C152 H15E 109.2 . . ?
C75 C155 H15F 109.5 . . ?
C75 C155 H15G 109.5 . . ?
C75 C155 H15H 109.5 . . ?
H15F C155 H15G 109.5 . . ?
H15F C155 H15H 109.5 . . ?
H15G C155 H15H 109.5 . . ?
C83 C157 H15I 109.5 . . ?
C83 C157 H15J 109.5 . . ?
C83 C157 H15K 109.5 . . ?
H15I C157 H15J 109.5 . . ?
H15I C157 H15K 109.5 . . ?
H15J C157 H15K 109.5 . . ?
C143 C158 H15L 109.5 . . ?
C143 C158 H15M 109.5 . . ?
C143 C158 H15N 109.5 . . ?
H15L C158 H15M 109.5 . . ?
H15L C158 H15N 109.5 . . ?
H15M C158 H15N 109.5 . . ?
C63 C160 H16A 109.5 . . ?
C63 C160 H16B 109.5 . . ?
C63 C160 H16C 109.5 . . ?
H16A C160 H16B 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
Ag17 Ag11 Ag17 76.08(4) 3_665 . ?
Ag17 Ag11 Ag17 76.09(4) 2_655 3_665 ?
Ag17 Ag11 Ag17 76.09(4) 2_655 . ?
S10 Ag11 Ag17 113.46(8) 2_655 . ?
S10 Ag11 Ag17 110.43(7) . 2_655 ?
S10 Ag11 Ag17 46.17(8) . . ?
S10 Ag11 Ag17 110.43(7) 3_665 . ?
S10 Ag11 Ag17 46.17(8) 3_665 3_665 ?
S10 Ag11 Ag17 110.43(7) 2_655 3_665 ?
S10 Ag11 Ag17 113.46(8) . 3_665 ?
S10 Ag11 Ag17 46.17(8) 2_655 2_655 ?
S10 Ag11 Ag17 113.46(8) 3_665 2_655 ?
S10 Ag11 S10 119.933(10) 2_655 . ?
S10 Ag11 S10 119.934(8) 3_665 . ?
S10 Ag11 S10 119.933(9) 2_655 3_665 ?
Ag17 Ag14 Ag17 75.24(4) 2_655 . ?
Ag17 Ag14 Ag17 75.24(4) 3_665 . ?
Ag17 Ag14 Ag17 75.24(4) 2_655 3_665 ?
S15 Ag14 Ag17 108.83(8) 3_665 2_655 ?
S15 Ag14 Ag17 108.83(8) . 3_665 ?
S15 Ag14 Ag17 113.17(9) 3_665 . ?
S15 Ag14 Ag17 113.17(9) . 2_655 ?
S15 Ag14 Ag17 108.83(8) 2_655 . ?
S15 Ag14 Ag17 113.17(9) 2_655 3_665 ?
S15 Ag14 Ag17 45.79(9) 2_655 2_655 ?
S15 Ag14 Ag17 45.79(9) 3_665 3_665 ?
S15 Ag14 Ag17 45.79(9) . . ?
S15 Ag14 S15 119.994(6) 2_655 . ?
S15 Ag14 S15 119.992(4) 2_655 3_665 ?
S15 Ag14 S15 119.990(5) 3_665 . ?
Ag11 Ag17 Ag14 89.82(3) . . ?
S10 Ag17 Ag11 48.60(7) . . ?
S10 Ag17 Ag14 138.32(7) . . ?
S10 Ag17 S15 173.62(10) . . ?
S15 Ag17 Ag11 137.63(8) . . ?
S15 Ag17 Ag14 48.02(7) . . ?
Ag17 S10 Ag11 85.24(10) . . ?
C74 S10 Ag11 107.8(3) . . ?
C74 S10 Ag17 103.6(4) . . ?
Ag17 S15 Ag14 86.19(11) . . ?
C16 S15 Ag14 110.3(3) . . ?
C16 S15 Ag17 104.9(3) . . ?
C88 O18 C121 121.2(9) . . ?
C93 O27 C104 119.9(8) . . ?
C72 N11 C138 113.1(7) . . ?
C88 N11 C72 125.3(9) . . ?
C88 N11 C138 121.5(9) . . ?
C20 N17 C69 111.6(7) . . ?
C93 N17 C20 126.4(8) . . ?
C93 N17 C69 121.9(8) . . ?
S15 C16 H16 107.3 . . ?
C48 C16 S15 118.9(7) . . ?
C48 C16 H16 107.3 . . ?
C48 C16 C72 102.4(8) . . ?
C72 C16 S15 113.0(6) . . ?
C72 C16 H16 107.3 . . ?
N17 C20 H20A 111.0 . . ?
N17 C20 H20B 111.0 . . ?
N17 C20 C74 104.0(7) . . ?
H20A C20 H20B 109.0 . . ?
C74 C20 H20A 111.0 . . ?
C74 C20 H20B 111.0 . . ?
C16 C48 H48A 111.0 . . ?
C16 C48 H48B 111.0 . . ?
C16 C48 C138 103.6(8) . . ?
H48A C48 H48B 109.0 . . ?
C138 C48 H48A 111.0 . . ?
C138 C48 H48B 111.0 . . ?
H55A C55 H55B 109.1 . . ?
C69 C55 H55A 111.1 . . ?
C69 C55 H55B 111.1 . . ?
C74 C55 H55A 111.1 . . ?
C74 C55 H55B 111.1 . . ?
C74 C55 C69 103.4(8) . . ?
N17 C69 C55 102.5(7) . . ?
N17 C69 H69A 111.3 . . ?
N17 C69 H69B 111.3 . . ?
C55 C69 H69A 111.3 . . ?
C55 C69 H69B 111.3 . . ?
H69A C69 H69B 109.2 . . ?
N11 C72 C16 103.7(7) . . ?
N11 C72 H72A 111.0 . . ?
N11 C72 H72B 111.0 . . ?
C16 C72 H72A 111.0 . . ?
C16 C72 H72B 111.0 . . ?
H72A C72 H72B 109.0 . . ?
S10 C74 H74 107.2 . . ?
C20 C74 S10 112.2(6) . . ?
C20 C74 C55 104.0(8) . . ?
C20 C74 H74 107.2 . . ?
C55 C74 S10 118.4(7) . . ?
C55 C74 H74 107.2 . . ?
O18 C88 N11 109.2(9) . . ?
O33 C88 O18 125.7(10) . . ?
O33 C88 N11 125.2(11) . . ?
O27 C93 N17 109.9(9) . . ?
O37 C93 O27 126.1(9) . . ?
O37 C93 N17 124.0(10) . . ?
H10G C100 H10H 109.5 . . ?
H10G C100 H10I 109.5 . . ?
H10H C100 H10I 109.5 . . ?
C104 C100 H10G 109.5 . . ?
C104 C100 H10H 109.5 . . ?
C104 C100 H10I 109.5 . . ?
O27 C104 C100 109.1(9) . . ?
O27 C104 C161 99.9(9) . . ?
C100 C104 C161 111.0(11) . . ?
C159 C104 O27 112.1(9) . . ?
C159 C104 C100 113.6(11) . . ?
C159 C104 C161 110.3(11) . . ?
O18 C121 C136 109.7(11) . . ?
O18 C121 C146 109.4(9) . . ?
C146 C121 C136 110.9(12) . . ?
C151 C121 O18 102.2(10) . . ?
C151 C121 C136 111.3(13) . . ?
C151 C121 C146 113.0(14) . . ?
C121 C136 H13V 109.5 . . ?
C121 C136 H13W 109.5 . . ?
C121 C136 H13X 109.5 . . ?
H13V C136 H13W 109.5 . . ?
H13V C136 H13X 109.5 . . ?
H13W C136 H13X 109.5 . . ?
N11 C138 C48 102.4(7) . . ?
N11 C138 H13Y 111.3 . . ?
N11 C138 H 111.3 . . ?
C48 C138 H13Y 111.3 . . ?
C48 C138 H 111.3 . . ?
H13Y C138 H 109.2 . . ?
C121 C146 H14O 109.5 . . ?
C121 C146 H14P 109.5 . . ?
C121 C146 H14Q 109.5 . . ?
H14O C146 H14P 109.5 . . ?
H14O C146 H14Q 109.5 . . ?
H14P C146 H14Q 109.5 . . ?
C121 C151 H15R 109.5 . . ?
C121 C151 H15S 109.5 . . ?
C121 C151 H15T 109.5 . . ?
H15R C151 H15S 109.5 . . ?
H15R C151 H15T 109.5 . . ?
H15S C151 H15T 109.5 . . ?
C104 C159 H15U 109.5 . . ?
C104 C159 H15V 109.5 . . ?
C104 C159 H15W 109.5 . . ?
H15U C159 H15V 109.5 . . ?
H15U C159 H15W 109.5 . . ?
H15V C159 H15W 109.5 . . ?
C104 C161 H16D 109.5 . . ?
C104 C161 H16E 109.5 . . ?
C104 C161 H16F 109.5 . . ?
H16D C161 H16E 109.5 . . ?
H16D C161 H16F 109.5 . . ?
H16E C161 H16F 109.5 . . ?
Ag19 Ag16 Ag19 75.98(4) 2 3 ?
Ag19 Ag16 Ag19 75.98(4) . 3 ?
Ag19 Ag16 Ag19 75.98(4) . 2 ?
S9 Ag16 Ag19 113.21(8) 2 . ?
S9 Ag16 Ag19 110.29(8) 2 3 ?
S9 Ag16 Ag19 46.00(8) . . ?
S9 Ag16 Ag19 110.29(8) . 2 ?
S9 Ag16 Ag19 113.21(8) . 3 ?
S9 Ag16 Ag19 110.29(8) 3 . ?
S9 Ag16 Ag19 113.21(8) 3 2 ?
S9 Ag16 Ag19 46.00(8) 3 3 ?
S9 Ag16 Ag19 46.00(8) 2 2 ?
S9 Ag16 S9 119.951(7) 3 . ?
S9 Ag16 S9 119.952(7) 3 2 ?
S9 Ag16 S9 119.954(7) 2 . ?
Ag19 Ag18 Ag19 75.42(4) . 3 ?
Ag19 Ag18 Ag19 75.42(4) . 2 ?
Ag19 Ag18 Ag19 75.42(4) 3 2 ?
S18 Ag18 Ag19 113.22(9) 3 . ?
S18 Ag18 Ag19 45.60(8) 2 2 ?
S18 Ag18 Ag19 108.76(8) . 3 ?
S18 Ag18 Ag19 45.60(9) . . ?
S18 Ag18 Ag19 113.22(9) . 2 ?
S18 Ag18 Ag19 45.60(9) 3 3 ?
S18 Ag18 Ag19 108.76(8) 2 . ?
S18 Ag18 Ag19 113.22(9) 2 3 ?
S18 Ag18 Ag19 108.76(8) 3 2 ?
S18 Ag18 S18 119.994(4) 3 2 ?
S18 Ag18 S18 119.994(4) 2 . ?
S18 Ag18 S18 119.994(3) 3 . ?
Ag16 Ag19 Ag18 89.77(4) . . ?
S9 Ag19 Ag16 48.47(7) . . ?
S9 Ag19 Ag18 138.15(7) . . ?
S18 Ag19 Ag16 137.64(8) . . ?
S18 Ag19 Ag18 48.09(7) . . ?
S18 Ag19 S9 173.69(10) . . ?
Ag19 S9 Ag16 85.53(10) . . ?
C101 S9 Ag16 108.1(3) . . ?
C101 S9 Ag19 103.9(4) . . ?
Ag19 S18 Ag18 86.31(11) . . ?
C57 S18 Ag18 109.4(3) . . ?
C57 S18 Ag19 105.3(4) . . ?
C96 O20 C62 120.4(8) . . ?
C109 O29 C95 120.2(9) . . ?
C38 N10 C144 114.3(8) . . ?
C109 N10 C38 122.6(10) . . ?
C109 N10 C144 123.1(9) . . ?
C40 N14 C99 112.8(7) . . ?
C96 N14 C40 126.0(8) . . ?
C96 N14 C99 121.0(8) . . ?
H22A C22 H22B 109.0 . . ?
C57 C22 H22A 111.0 . . ?
C57 C22 H22B 111.0 . . ?
C57 C22 C144 103.6(8) . . ?
C144 C22 H22A 111.0 . . ?
C144 C22 H22B 111.0 . . ?
N10 C38 H38C 111.3 . . ?
N10 C38 H38D 111.3 . . ?
N10 C38 C57 102.3(8) . . ?
H38C C38 H38D 109.2 . . ?
C57 C38 H38C 111.3 . . ?
C57 C38 H38D 111.3 . . ?
N14 C40 H40C 111.2 . . ?
N14 C40 H40D 111.2 . . ?
N14 C40 C101 102.6(7) . . ?
H40C C40 H40D 109.2 . . ?
C101 C40 H40C 111.2 . . ?
C101 C40 H40D 111.2 . . ?
S18 C57 H57 107.7 . . ?
C22 C57 S18 119.0(7) . . ?
C22 C57 C38 102.2(8) . . ?
C22 C57 H57 107.7 . . ?
C38 C57 S18 111.9(7) . . ?
C38 C57 H57 107.7 . . ?
O20 C62 C103 110.7(9) . . ?
O20 C62 C140 111.5(9) . . ?
O20 C62 C162 100.5(9) . . ?
C103 C62 C140 113.2(10) . . ?
C103 C62 C162 109.3(11) . . ?
C140 C62 C162 111.0(11) . . ?
H76A C76 H76B 109.0 . . ?
C99 C76 H76A 111.1 . . ?
C99 C76 H76B 111.1 . . ?
C101 C76 H76A 111.1 . . ?
C101 C76 H76B 111.1 . . ?
C101 C76 C99 103.5(8) . . ?
O29 C95 C117 111.3(9) . . ?
O29 C95 C154 110.4(9) . . ?
O29 C95 C156 100.7(10) . . ?
C154 C95 C117 112.8(11) . . ?
C156 C95 C117 109.5(13) . . ?
C156 C95 C154 111.5(12) . . ?
O35 C96 O20 124.5(9) . . ?
O35 C96 N14 125.6(10) . . ?
N14 C96 O20 109.9(8) . . ?
N14 C99 C76 101.3(7) . . ?
N14 C99 H99A 111.5 . . ?
N14 C99 H99B 111.5 . . ?
C76 C99 H99A 111.5 . . ?
C76 C99 H99B 111.5 . . ?
H99A C99 H99B 109.3 . . ?
S9 C101 H101 107.9 . . ?
C40 C101 S9 112.1(7) . . ?
C40 C101 H101 107.9 . . ?
C76 C101 S9 117.7(7) . . ?
C76 C101 C40 102.8(8) . . ?
C76 C101 H101 107.9 . . ?
C62 C103 H10J 109.5 . . ?
C62 C103 H10K 109.5 . . ?
C62 C103 H10L 109.5 . . ?
H10J C103 H10K 109.5 . . ?
H10J C103 H10L 109.5 . . ?
H10K C103 H10L 109.5 . . ?
O29 C109 N10 110.7(10) . . ?
O34 C109 O29 127.3(10) . . ?
O34 C109 N10 121.9(12) . . ?
C95 C117 H11Z 109.5 . . ?
C95 C117 HA 109.5 . . ?
C95 C117 HB 109.5 . . ?
H11Z C117 HA 109.5 . . ?
H11Z C117 HB 109.5 . . ?
HA C117 HB 109.5 . . ?
C62 C140 H14R 109.5 . . ?
C62 C140 H14S 109.5 . . ?
C62 C140 H14T 109.5 . . ?
H14R C140 H14S 109.5 . . ?
H14R C140 H14T 109.5 . . ?
H14S C140 H14T 109.5 . . ?
N10 C144 C22 102.7(8) . . ?
N10 C144 H14U 111.2 . . ?
N10 C144 H14V 111.2 . . ?
C22 C144 H14U 111.2 . . ?
C22 C144 H14V 111.2 . . ?
H14U C144 H14V 109.1 . . ?
C95 C154 H15X 109.5 . . ?
C95 C154 H15Y 109.5 . . ?
C95 C154 HC 109.5 . . ?
H15X C154 H15Y 109.5 . . ?
H15X C154 HC 109.5 . . ?
H15Y C154 HC 109.5 . . ?
C95 C156 H15Z 109.5 . . ?
C95 C156 HD 109.5 . . ?
C95 C156 HE 109.5 . . ?
H15Z C156 HD 109.5 . . ?
H15Z C156 HE 109.5 . . ?
HD C156 HE 109.5 . . ?
C62 C162 H16G 109.5 . . ?
C62 C162 H16H 109.5 . . ?
C62 C162 H16I 109.5 . . ?
H16G C162 H16H 109.5 . . ?
H16G C162 H16I 109.5 . . ?
H16H C162 H16I 109.5 . . ?
Na3 O45 H45 94.2 . . ?
C0AA O45 Na3 125.5(16) . . ?
C0AA O45 H45 138.9 . . ?
Na3 O1AA H1AA 118.6 . . ?
Na3 O1AA H1AB 118.5 . . ?
H1AA O1AA H1AB 93.8 . . ?
O45 C0AA H0AA 109.5 . . ?
O45 C0AA H0AB 109.5 . . ?
O45 C0AA H0AC 109.5 . . ?
H0AA C0AA H0AB 109.5 . . ?
H0AA C0AA H0AC 109.5 . . ?
H0AB C0AA H0AC 109.5 . . ?
Na1 O0AA H0AD 129(3) . . ?
C1AA O0AA Na1 128.3(11) . . ?
C1AA O0AA H0AD 102(2) . . ?
O0AA C1AA H1AC 109.5 . . ?
O0AA C1AA H1AD 109.5 . . ?
O0AA C1AA H1AE 109.5 . . ?
H1AC C1AA H1AD 109.5 . . ?
H1AC C1AA H1AE 109.5 . . ?
H1AD C1AA H1AE 109.5 . . ?
Na2 O3AA H3AA 122(3) . . ?
C3AA O3AA Na2 117.9(15) . . ?
C3AA O3AA H3AA 107(3) . . ?
H2AA C2AA H2AB 109.5 . . ?
H2AA C2AA H2AC 109.5 . . ?
H2AB C2AA H2AC 109.5 . . ?
O4AA C2AA H2AA 109.5 . . ?
O4AA C2AA H2AB 109.5 . . ?
O4AA C2AA H2AC 109.5 . . ?
Na2 O4AA H4AA 120(3) . . ?
C2AA O4AA Na2 126(2) . . ?
C2AA O4AA H4AA 110(3) . . ?
O3AA C3AA H3AB 109.5 . . ?
O3AA C3AA H3AC 109.5 . . ?
O3AA C3AA H3AD 109.5 . . ?
H3AB C3AA H3AC 109.5 . . ?
H3AB C3AA H3AD 109.5 . . ?
H3AC C3AA H3AD 109.5 . . ?

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 C44 C6 -43.3(9) . . . . ?
Ag1 S7 C44 C26 -161.1(6) . . . . ?
Ag3 S1 C3 C1 -69.5(8) . . . . ?
Ag3 S1 C3 C8 49.3(10) . . . . ?
Ag3 S7 C44 C6 46.7(9) . . . . ?
Ag3 S7 C44 C26 -71.1(8) . . . . ?
Ag5 S1 C3 C1 -161.5(7) . . . . ?
Ag5 S1 C3 C8 -42.7(10) . . . . ?
S1 C3 C8 C29 -165.7(9) . . . . ?
N1 C1 C3 S1 161.2(7) . . . . ?
N1 C1 C3 C8 34.2(11) . . . . ?
N2 C26 C44 S7 159.6(7) . . . . ?
N2 C26 C44 C6 32.9(10) . . . . ?
C1 N1 C12 O10 4.2(16) . . . . ?
C1 N1 C12 O14 -178.0(11) . . . . ?
C1 N1 C29 C8 -13.1(13) . . . . ?
C1 C3 C8 C29 -42.8(12) . . . . ?
C2 O10 C12 O14 5.1(18) . . . . ?
C2 O10 C12 N1 -177.1(10) . . . . ?
C3 C8 C29 N1 33.5(12) . . . . ?
C12 O10 C2 C67 58.2(17) . . . . ?
C12 O10 C2 C70 -65.8(15) . . . . ?
C12 O10 C2 C98 177.8(12) . . . . ?
C12 N1 C1 C3 166.7(10) . . . . ?
C12 N1 C29 C8 166.7(11) . . . . ?
C13 N2 C26 C44 -14.5(11) . . . . ?
C13 N2 C28 O3 -177.5(9) . . . . ?
C13 N2 C28 O17 1.1(18) . . . . ?
C13 C6 C44 S7 -162.1(8) . . . . ?
C13 C6 C44 C26 -39.6(11) . . . . ?
C26 N2 C13 C6 -10.5(12) . . . . ?
C26 N2 C28 O3 -0.6(14) . . . . ?
C26 N2 C28 O17 178.0(10) . . . . ?
C28 O3 C45 C60 59.6(14) . . . . ?
C28 O3 C45 C90 -62.8(13) . . . . ?
C28 O3 C45 C153 -179.8(11) . . . . ?
C28 N2 C13 C6 166.8(10) . . . . ?
C28 N2 C26 C44 168.3(10) . . . . ?
C29 N1 C1 C3 -13.4(12) . . . . ?
C29 N1 C12 O10 -175.6(10) . . . . ?
C29 N1 C12 O14 2.2(19) . . . . ?
C44 C6 C13 N2 30.8(11) . . . . ?
C45 O3 C28 O17 4.6(17) . . . . ?
C45 O3 C28 N2 -176.8(9) . . . . ?
Ag2 S2 C91 C51 -150.8(7) . . . . ?
Ag2 S2 C91 C79 -28.5(11) . . . . ?
Ag2 S3 C15 C21 -24.9(11) . . . . ?
Ag2 S3 C15 C65 -148.7(8) . . . . ?
Ag2 S4 C64 C7 -148.0(8) . . . . ?
Ag2 S4 C64 C35 -30.8(11) . . . . ?
Ag4 S6 C33 C5 -163.3(7) . . . . ?
Ag4 S6 C33 C50 -42.0(11) . . . . ?
Ag4 S12 C17 C41 -160.4(8) . . . . ?
Ag4 S12 C17 C86 -42.1(10) . . . . ?
Ag4 S13 C61 C39 -161.2(6) . . . . ?
Ag4 S13 C61 C56 -41.3(9) . . . . ?
Ag6 S3 C15 C21 64.5(10) . . . . ?
Ag6 S3 C15 C65 -59.3(9) . . . . ?
Ag6 S12 C17 C41 -70.3(9) . . . . ?
Ag6 S12 C17 C86 48.1(9) . . . . ?
Ag7 S2 C91 C51 -58.6(8) . . . . ?
Ag7 S2 C91 C79 63.7(10) . . . . ?
Ag7 S13 C61 C39 -73.1(8) . . . . ?
Ag7 S13 C61 C56 46.8(9) . . . . ?
Ag8 S4 C64 C7 -59.9(9) . . . . ?
Ag8 S4 C64 C35 57.3(11) . . . . ?
Ag8 S6 C33 C5 -71.9(8) . . . . ?
Ag8 S6 C33 C50 49.4(10) . . . . ?
Ag9 S14 C68 C111 -153.6(7) . . . . ?
Ag9 S14 C68 C131 -33.2(11) . . . . ?
Ag9 S16 C32 C30 -148.1(7) 2 . . . ?
Ag9 S16 C32 C81 -31.8(10) 2 . . . ?
Ag9 S17 C122 C34 -151.5(7) . . . . ?
Ag9 S17 C122 C142 -32.9(10) . . . . ?
Ag10 S5 C18 C37 45.1(10) . . . . ?
Ag10 S5 C18 C49 -74.1(8) . . . . ?
Ag10 S16 C32 C30 -54.5(9) . . . . ?
Ag10 S16 C32 C81 61.7(9) . . . . ?
Ag12 S8 C54 C11 -70.7(9) . . . . ?
Ag12 S8 C54 C119 46.9(9) . . . . ?
Ag12 S14 C68 C111 -64.1(9) . . . . ?
Ag12 S14 C68 C131 56.3(10) . . . . ?
Ag13 S5 C18 C37 -42.9(10) 2 . . . ?
Ag13 S5 C18 C49 -162.2(7) 2 . . . ?
Ag13 S8 C54 C11 -162.7(8) . . . . ?
Ag13 S8 C54 C119 -45.1(10) . . . . ?
Ag13 S11 C14 C78 -164.8(7) . . . . ?
Ag13 S11 C14 C92 -44.1(10) . . . . ?
Ag15 S11 C14 C78 -74.9(9) . . . . ?
Ag15 S11 C14 C92 45.8(9) . . . . ?
Ag15 S17 C122 C34 -60.9(9) . . . . ?
Ag15 S17 C122 C142 57.7(10) . . . . ?
S3 C15 C21 C137 -167.7(9) . . . . ?
S3 C15 C65 N13 163.3(8) . . . . ?
S5 C18 C37 C73 -164.6(9) . . . . ?
S5 C18 C49 N7 162.4(7) . . . . ?
S6 C33 C50 C71 -163.1(9) . . . . ?
S8 C54 C119 C110 -166.1(9) . . . . ?
S11 C14 C78 N8 162.5(8) . . . . ?
S11 C14 C92 C128 -165.2(8) . . . . ?
S12 C17 C41 N9 160.4(8) . . . . ?
S12 C17 C86 C85 -163.8(9) . . . . ?
S14 C68 C111 N15 161.4(9) . . . . ?
S14 C68 C131 C152 -163.6(9) . . . . ?
S16 C32 C81 C94 -163.5(9) . . . . ?
S17 C122 C142 C126 -166.8(9) . . . . ?
Na1 O19 C106 O16 179.6(11) . . . . ?
Na1 O19 C106 N16 -2(2) . . . . ?
Na1 O22 C102 O9 -153.1(15) . . . . ?
Na1 O22 C102 N8 31(3) . . . . ?
Na2 O23 C145 O24 -179.5(10) . . . . ?
Na2 O23 C145 N13 -1(2) . . . . ?
Na2 O25 C58 O11 -162.3(12) . . . . ?
Na2 O25 C58 N7 17(2) . . . . ?
Na3 O5 C4 O1 176.8(12) 3_565 . . . ?
Na3 O5 C4 N3 -3(3) 3_565 . . . ?
Na3 O21 C66 O7 -161.3(13) . . . . ?
Na3 O21 C66 N6 21(3) . . . . ?
N3 C30 C32 S16 160.9(8) . . . . ?
N3 C30 C32 C81 34.1(11) . . . . ?
N4 C7 C64 S4 164.4(9) . . . . ?
N4 C7 C64 C35 37.9(12) . . . . ?
N5 C5 C33 S6 161.7(7) . . . . ?
N5 C5 C33 C50 31.6(11) . . . . ?
N6 C25 C56 C61 30.9(12) . . . . ?
N6 C39 C61 S13 159.6(7) . . . . ?
N6 C39 C61 C56 31.3(10) . . . . ?
N9 C85 C86 C17 30.8(14) . . . . ?
N12 C11 C54 S8 161.0(8) . . . . ?
N12 C11 C54 C119 36.1(11) . . . . ?
N12 C110 C119 C54 32.2(14) . . . . ?
N16 C51 C91 S2 161.8(7) . . . . ?
N16 C51 C91 C79 32.4(11) . . . . ?
N18 C34 C122 S17 162.9(8) . . . . ?
N18 C34 C122 C142 35.6(12) . . . . ?
N18 C126 C142 C122 33.4(15) . . . . ?
C4 O1 C19 C31 66.0(14) . . . . ?
C4 O1 C19 C43 -176.3(11) . . . . ?
C4 O1 C19 C80 -57.1(13) . . . . ?
C4 N3 C30 C32 157.6(11) . . . . ?
C4 N3 C94 C81 177.0(11) . . . . ?
C5 N5 C46 O8 5.6(16) . . . . ?
C5 N5 C46 O31 -178.3(11) . . . . ?
C5 N5 C71 C50 -7.8(15) . . . . ?
C5 C33 C50 C71 -37.3(13) . . . . ?
C7 N4 C10 O2 10.4(19) . . . . ?
C7 N4 C10 O4 -175.3(13) . . . . ?
C7 N4 C47 C35 -11.1(17) . . . . ?
C9 O6 C52 C97 62.6(14) . . . . ?
C9 O6 C52 C115 -60.7(14) . . . . ?
C9 O6 C52 C125 -178.3(12) . . . . ?
C9 N12 C11 C54 165.8(12) . . . . ?
C9 N12 C110 C119 167.2(12) . . . . ?
C10 O2 C27 C42 -62.4(15) . . . . ?
C10 O2 C27 C89 59.9(17) . . . . ?
C10 O2 C27 C127 -179.3(13) . . . . ?
C10 N4 C7 C64 157.9(13) . . . . ?
C10 N4 C47 C35 173.5(13) . . . . ?
C11 N12 C9 O6 1.7(17) . . . . ?
C11 N12 C9 O30 -178.4(12) . . . . ?
C11 N12 C110 C119 -10.8(15) . . . . ?
C11 C54 C119 C110 -42.8(12) . . . . ?
C14 C92 C128 N8 30.2(13) . . . . ?
C15 C21 C137 N13 29.0(14) . . . . ?
C18 C37 C73 N7 31.8(13) . . . . ?
C19 O1 C4 O5 2.1(17) . . . . ?
C19 O1 C4 N3 -177.7(9) . . . . ?
C21 C15 C65 N13 32.4(11) . . . . ?
C23 O8 C46 O31 6.7(17) . . . . ?
C23 O8 C46 N5 -177.4(9) . . . . ?
C24 O9 C102 O22 1.8(18) . . . . ?
C24 O9 C102 N8 178.6(10) . . . . ?
C25 N6 C39 C61 -12.0(12) . . . . ?
C25 N6 C66 O7 -176.8(10) . . . . ?
C25 N6 C66 O21 1.2(18) . . . . ?
C25 C56 C61 S13 -162.8(8) . . . . ?
C25 C56 C61 C39 -38.8(11) . . . . ?
C27 O2 C10 O4 7(2) . . . . ?
C27 O2 C10 N4 -178.4(11) . . . . ?
C30 N3 C4 O1 5.9(16) . . . . ?
C30 N3 C4 O5 -173.9(12) . . . . ?
C30 N3 C94 C81 -8.3(14) . . . . ?
C30 C32 C81 C94 -40.1(12) . . . . ?
C32 C81 C94 N3 30.9(14) . . . . ?
C33 C50 C71 N5 28.1(15) . . . . ?
C34 N18 C107 O12 4.9(17) . . . . ?
C34 N18 C107 O26 -171.8(12) . . . . ?
C34 N18 C126 C142 -11.5(16) . . . . ?
C34 C122 C142 C126 -42.9(13) . . . . ?
C36 O11 C58 O25 -1.7(16) . . . . ?
C36 O11 C58 N7 179.4(9) . . . . ?
C37 C18 C49 N7 33.1(11) . . . . ?
C39 N6 C25 C56 -11.6(13) . . . . ?
C39 N6 C66 O7 4.2(15) . . . . ?
C39 N6 C66 O21 -177.8(11) . . . . ?
C41 N9 C85 C86 -9.8(15) . . . . ?
C41 N9 C132 O13 4.0(17) . . . . ?
C41 N9 C132 O32 -177.6(12) . . . . ?
C41 C17 C86 C85 -40.3(12) . . . . ?
C46 O8 C23 C82 -179.2(11) . . . . ?
C46 O8 C23 C105 -63.2(13) . . . . ?
C46 O8 C23 C124 63.5(15) . . . . ?
C46 N5 C5 C33 162.9(10) . . . . ?
C46 N5 C71 C50 174.5(11) . . . . ?
C47 N4 C7 C64 -17.2(15) . . . . ?
C47 N4 C10 O2 -175.0(13) . . . . ?
C47 N4 C10 O4 -1(2) . . . . ?
C47 C35 C64 S4 -168.3(10) . . . . ?
C47 C35 C64 C7 -45.0(14) . . . . ?
C49 N7 C58 O11 1.6(14) . . . . ?
C49 N7 C58 O25 -177.4(10) . . . . ?
C49 N7 C73 C37 -11.1(13) . . . . ?
C49 C18 C37 C73 -40.9(12) . . . . ?
C51 N16 C106 O16 6.2(14) . . . . ?
C51 N16 C106 O19 -172.6(10) . . . . ?
C51 N16 C113 C79 -11.7(14) . . . . ?
C52 O6 C9 O30 3.6(19) . . . . ?
C52 O6 C9 N12 -176.5(10) . . . . ?
C53 O7 C66 O21 2.0(18) . . . . ?
C53 O7 C66 N6 179.9(9) . . . . ?
C58 O11 C36 C59 60.3(14) . . . . ?
C58 O11 C36 C108 -61.6(14) . . . . ?
C58 O11 C36 C112 -179.3(11) . . . . ?
C58 N7 C49 C18 168.8(10) . . . . ?
C58 N7 C73 C37 166.0(10) . . . . ?
C63 O16 C106 O19 3.3(15) . . . . ?
C63 O16 C106 N16 -175.5(9) . . . . ?
C64 C35 C47 N4 33.9(16) . . . . ?
C65 N13 C137 C21 -9.7(14) . . . . ?
C65 N13 C145 O23 -174.5(11) . . . . ?
C65 N13 C145 O24 4.6(16) . . . . ?
C65 C15 C21 C137 -38.8(13) . . . . ?
C66 O7 C53 C84 178.9(12) . . . . ?
C66 O7 C53 C87 -64.0(14) . . . . ?
C66 O7 C53 C141 63.1(15) . . . . ?
C66 N6 C25 C56 169.4(10) . . . . ?
C66 N6 C39 C61 167.0(10) . . . . ?
C68 C131 C152 N15 31.2(15) . . . . ?
C71 N5 C5 C33 -14.6(13) . . . . ?
C71 N5 C46 O8 -177.1(11) . . . . ?
C71 N5 C46 O31 -1.0(19) . . . . ?
C73 N7 C49 C18 -14.1(12) . . . . ?
C73 N7 C58 O11 -175.2(10) . . . . ?
C73 N7 C58 O25 5.8(17) . . . . ?
C75 O12 C107 O26 -1.3(17) . . . . ?
C75 O12 C107 N18 -177.9(10) . . . . ?
C77 O15 C129 O28 0(2) . . . . ?
C77 O15 C129 N15 -177.9(11) . . . . ?
C78 N8 C102 O9 4.3(16) . . . . ?
C78 N8 C102 O22 -178.9(12) . . . . ?
C78 N8 C128 C92 -9.9(13) . . . . ?
C78 C14 C92 C128 -39.6(12) . . . . ?
C83 O24 C145 O23 4.5(16) . . . . ?
C83 O24 C145 N13 -174.5(9) . . . . ?
C85 N9 C41 C17 -14.9(14) . . . . ?
C85 N9 C132 O13 -177.1(11) . . . . ?
C85 N9 C132 O32 1(2) . . . . ?
C86 C17 C41 N9 33.7(11) . . . . ?
C91 C79 C113 N16 31.4(14) . . . . ?
C92 C14 C78 N8 32.8(11) . . . . ?
C94 N3 C4 O1 179.7(11) . . . . ?
C94 N3 C4 O5 -0.1(19) . . . . ?
C94 N3 C30 C32 -16.5(13) . . . . ?
C102 O9 C24 C116 59.8(13) . . . . ?
C102 O9 C24 C135 177.2(11) . . . . ?
C102 O9 C24 C147 -63.3(14) . . . . ?
C102 N8 C78 C14 166.6(11) . . . . ?
C102 N8 C128 C92 169.1(11) . . . . ?
C106 O16 C63 C133 65.7(12) . . . . ?
C106 O16 C63 C134 -173.0(9) . . . . ?
C106 O16 C63 C160 -58.0(12) . . . . ?
C106 N16 C51 C91 160.3(10) . . . . ?
C106 N16 C113 C79 174.5(11) . . . . ?
C107 O12 C75 C148 -175.3(11) . . . . ?
C107 O12 C75 C149 66.7(14) . . . . ?
C107 O12 C75 C155 -57.5(14) . . . . ?
C107 N18 C34 C122 162.2(11) . . . . ?
C107 N18 C126 C142 171.2(12) . . . . ?
C110 N12 C9 O6 -176.0(12) . . . . ?
C110 N12 C9 O30 4(2) . . . . ?
C110 N12 C11 C54 -16.3(14) . . . . ?
C111 N15 C129 O15 5.7(19) . . . . ?
C111 N15 C129 O28 -172.6(13) . . . . ?
C111 N15 C152 C131 -11.1(17) . . . . ?
C111 C68 C131 C152 -39.1(13) . . . . ?
C113 N16 C51 C91 -13.0(12) . . . . ?
C113 N16 C106 O16 178.9(10) . . . . ?
C113 N16 C106 O19 0.1(17) . . . . ?
C113 C79 C91 S2 -167.1(9) . . . . ?
C113 C79 C91 C51 -39.9(13) . . . . ?
C126 N18 C34 C122 -14.9(14) . . . . ?
C126 N18 C107 O12 -178.2(11) . . . . ?
C126 N18 C107 O26 5(2) . . . . ?
C128 N8 C78 C14 -14.5(13) . . . . ?
C128 N8 C102 O9 -174.5(10) . . . . ?
C128 N8 C102 O22 2.3(19) . . . . ?
C129 O15 C77 C120 64.9(15) . . . . ?
C129 O15 C77 C139 -57.1(14) . . . . ?
C129 O15 C77 C150 -175.3(13) . . . . ?
C129 N15 C111 C68 163.5(12) . . . . ?
C129 N15 C152 C131 172.8(12) . . . . ?
C131 C68 C111 N15 32.1(12) . . . . ?
C132 O13 C143 C114 -59.0(15) . . . . ?
C132 O13 C143 C123 -178.1(13) . . . . ?
C132 O13 C143 C158 64.8(15) . . . . ?
C132 N9 C41 C17 164.1(12) . . . . ?
C132 N9 C85 C86 171.2(11) . . . . ?
C137 N13 C65 C15 -14.6(13) . . . . ?
C137 N13 C145 O23 2.3(18) . . . . ?
C137 N13 C145 O24 -178.6(10) . . . . ?
C143 O13 C132 O32 3.5(19) . . . . ?
C143 O13 C132 N9 -178.1(10) . . . . ?
C145 O24 C83 C118 -174.6(10) . . . . ?
C145 O24 C83 C130 64.2(13) . . . . ?
C145 O24 C83 C157 -59.7(12) . . . . ?
C145 N13 C65 C15 162.4(11) . . . . ?
C145 N13 C137 C21 173.1(11) . . . . ?
C152 N15 C111 C68 -12.5(15) . . . . ?
C152 N15 C129 O15 -178.7(13) . . . . ?
C152 N15 C129 O28 3(2) . . . . ?
Ag11 S10 C74 C20 -163.0(6) . . . . ?
Ag11 S10 C74 C55 -41.9(8) . . . . ?
Ag14 S15 C16 C48 -40.9(8) . . . . ?
Ag14 S15 C16 C72 -160.9(6) . . . . ?
Ag17 S10 C74 C20 -73.7(7) . . . . ?
Ag17 S10 C74 C55 47.4(8) . . . . ?
Ag17 S15 C16 C48 50.5(8) . . . . ?
Ag17 S15 C16 C72 -69.5(7) . . . . ?
S15 C16 C48 C138 -164.1(7) . . . . ?
S15 C16 C72 N11 160.9(7) . . . . ?
N17 C20 C74 S10 161.1(7) . . . . ?
N17 C20 C74 C55 32.0(10) . . . . ?
C16 C48 C138 N11 30.8(11) . . . . ?
C20 N17 C69 C55 -10.5(12) . . . . ?
C20 N17 C93 O27 -1.8(14) . . . . ?
C20 N17 C93 O37 177.8(10) . . . . ?
C48 C16 C72 N11 31.8(10) . . . . ?
C69 N17 C20 C74 -13.3(11) . . . . ?
C69 N17 C93 O27 -177.1(9) . . . . ?
C69 N17 C93 O37 2.5(17) . . . . ?
C69 C55 C74 S10 -164.0(7) . . . . ?
C69 C55 C74 C20 -38.8(10) . . . . ?
C72 N11 C88 O18 1.4(14) . . . . ?
C72 N11 C88 O33 -177.7(11) . . . . ?
C72 N11 C138 C48 -11.0(12) . . . . ?
C72 C16 C48 C138 -38.8(10) . . . . ?
C74 C55 C69 N17 29.8(11) . . . . ?
C88 O18 C121 C136 -58.7(14) . . . . ?
C88 O18 C121 C146 63.1(16) . . . . ?
C88 O18 C121 C151 -176.9(12) . . . . ?
C88 N11 C72 C16 169.5(9) . . . . ?
C88 N11 C138 C48 166.6(10) . . . . ?
C93 O27 C104 C100 64.1(14) . . . . ?
C93 O27 C104 C159 -62.7(13) . . . . ?
C93 O27 C104 C161 -179.5(10) . . . . ?
C93 N17 C20 C74 171.1(10) . . . . ?
C93 N17 C69 C55 165.4(9) . . . . ?
C104 O27 C93 O37 3.6(16) . . . . ?
C104 O27 C93 N17 -176.8(9) . . . . ?
C121 O18 C88 O33 2.5(17) . . . . ?
C121 O18 C88 N11 -176.6(9) . . . . ?
C138 N11 C72 C16 -13.1(11) . . . . ?
C138 N11 C88 O18 -175.8(9) . . . . ?
C138 N11 C88 O33 5.1(18) . . . . ?
Ag16 S9 C101 C40 -162.4(6) . . . . ?
Ag16 S9 C101 C76 -43.4(9) . . . . ?
Ag18 S18 C57 C22 -42.3(9) . . . . ?
Ag18 S18 C57 C38 -161.2(7) . . . . ?
Ag19 S9 C101 C40 -72.6(7) . . . . ?
Ag19 S9 C101 C76 46.4(8) . . . . ?
Ag19 S18 C57 C22 49.2(9) . . . . ?
Ag19 S18 C57 C38 -69.7(8) . . . . ?
N10 C38 C57 S18 160.1(8) . . . . ?
N10 C38 C57 C22 31.7(10) . . . . ?
N14 C40 C101 S9 161.3(7) . . . . ?
N14 C40 C101 C76 33.9(10) . . . . ?
C38 N10 C109 O29 3.2(15) . . . . ?
C38 N10 C109 O34 -178.0(10) . . . . ?
C38 N10 C144 C22 -10.6(13) . . . . ?
C40 N14 C96 O20 -4.3(13) . . . . ?
C40 N14 C96 O35 177.8(10) . . . . ?
C40 N14 C99 C76 -11.5(11) . . . . ?
C57 C22 C144 N10 30.7(12) . . . . ?
C62 O20 C96 O35 3.0(15) . . . . ?
C62 O20 C96 N14 -174.9(9) . . . . ?
C95 O29 C109 O34 3.4(17) . . . . ?
C95 O29 C109 N10 -177.9(9) . . . . ?
C96 O20 C62 C103 63.6(14) . . . . ?
C96 O20 C62 C140 -63.3(13) . . . . ?
C96 O20 C62 C162 179.0(10) . . . . ?
C96 N14 C40 C101 172.2(9) . . . . ?
C96 N14 C99 C76 162.8(9) . . . . ?
C99 N14 C40 C101 -13.9(10) . . . . ?
C99 N14 C96 O20 -177.7(9) . . . . ?
C99 N14 C96 O35 4.4(16) . . . . ?
C99 C76 C101 S9 -165.6(8) . . . . ?
C99 C76 C101 C40 -41.9(10) . . . . ?
C101 C76 C99 N14 32.4(11) . . . . ?
C109 O29 C95 C117 65.0(15) . . . . ?
C109 O29 C95 C154 -61.1(13) . . . . ?
C109 O29 C95 C156 -179.0(12) . . . . ?
C109 N10 C38 C57 168.0(10) . . . . ?
C109 N10 C144 C22 168.1(10) . . . . ?
C144 N10 C38 C57 -13.3(12) . . . . ?
C144 N10 C109 O29 -175.4(10) . . . . ?
C144 N10 C109 O34 3.4(18) . . . . ?
C144 C22 C57 S18 -162.4(8) . . . . ?
C144 C22 C57 C38 -38.6(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.242
_oxdiff_exptl_absorpt_empirical_full_min 0.891
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.4757(8)
2 0.5243(8)

####################################################################### 
# 
# 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_s-ag5-gut-rt
_database_code_depnum_ccdc_archive 'CCDC 2192037'
loop_
_audit_author_name
_audit_author_address
'Xi-Ming Luo'
;ZhengZhou university
China
;
_audit_update_record             
;
2022-09-26 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
_audit_creation_date             2022-09-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
# start Validation Reply Form
_vrf_PLAT342_s-ag5-gut-rt        
;
PROBLEM:Low Bond Precision on  C-C Bonds ...............       0.02211 Ang 
RESPONSE: This is attributed to the disordered group. No split was
applied to this molecule/group for clarity.
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H96 Ag5 N6 O12 S6, 5[H2O]'
_chemical_formula_sum            'C54 H106 Ag5 N6 O17 S6'
_chemical_formula_weight         1843.15
_chemical_absolute_configuration syn
_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      trigonal
_space_group_IT_number           143
_space_group_name_H-M_alt        'P 3'
_space_group_name_Hall           'P 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'

_cell_length_a                   15.5807(8)
_cell_length_b                   15.5807(8)
_cell_length_c                   9.2970(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     1954.6(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9088
_cell_measurement_temperature    295.0
_cell_measurement_theta_max      24.91
_cell_measurement_theta_min      2.61
_shelx_estimated_absorpt_T_max   0.931
_shelx_estimated_absorpt_T_min   0.905
_exptl_absorpt_coefficient_mu    1.450
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6841
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0787 before and 0.0591 after correction. The Ratio of minimum to maximum transmission is 0.9175. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             939
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            133736
_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         27.481
_diffrn_reflns_theta_min         2.191
_diffrn_ambient_temperature      295.0
_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_standards_number         0
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                4929
_reflns_number_total             6008
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.634
_refine_diff_density_min         -0.485
_refine_diff_density_rms         0.072
_refine_ls_abs_structure_details 
;
 Flack x determined using 2174 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.016(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         6008
_refine_ls_number_restraints     156
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0422
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0673P)²+1.4146P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1164
_refine_ls_wR_factor_ref         0.1237
_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. Restrained distances
 C8-C6 = C6-C9 = C6-C7
 1.53 with sigma of 0.01
 C18-C15
 1.53 with sigma of 0.01
 C15-C17
 1.53 with sigma of 0.01
 O3-C19 = O3-C15
 1.45 with sigma of 0.01
 C22-C19 = C20-C19 = C21-C19 = C16-C15
 1.53 with sigma of 0.01
 C17-C18
 2.55 with sigma of 0.04
 C20-C21 \\sim C20-C22 \\sim C21-C22
 with sigma of 0.02
3. Rigid bond restraints
 C19, C15, C16, C20, C17, C21, C18, C22, O3
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C9) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C8) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C11) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C3)
\\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms
of 0.02
Uanis(O3) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(C14) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C19) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C22)
\\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C16) \\sim Ueq,
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Others
 Sof(C19)=Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(H22C)=Sof(C20)=Sof(H20A)=Sof(H20B)=
 Sof(H20C)=Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=1-FVAR(1)
 Sof(C18)=Sof(H18A)=Sof(H18B)=Sof(H18C)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=
 Sof(C16)=Sof(H16A)=Sof(H16B)=Sof(H16C)=Sof(C15)=FVAR(1)
6.a Riding coordinates:
 C21(H21A,H21B,H21C)
6.b Ternary CH refined with riding coordinates:
 C1(H1), C10(H10)
6.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B)
6.d Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C18(H18A,H18B,H18C),
 C17(H17A,H17B,H17C), C22(H22A,H22B,H22C), C20(H20A,H20B,H20C), C16(H16A,H16B,
 H16C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.000000 0.000000 0.84257(15) 0.0695(3) Uani 1 3 d S T P . .
Ag2 Ag 0.08669(5) 0.17294(5) 0.59270(14) 0.0813(2) Uani 1 1 d . . . . .
Ag3 Ag 0.000000 0.000000 0.34298(14) 0.0685(3) Uani 1 3 d S T P . .
S1 S 0.09067(18) 0.18268(19) 0.8487(3) 0.0758(11) Uani 1 1 d . . . . .
S2 S 0.09238(19) 0.18272(19) 0.3375(3) 0.0749(11) Uani 1 1 d . . . . .
O1 O 0.4605(6) 0.5003(7) 0.8432(10) 0.108(3) Uani 1 1 d . . . . .
O2 O 0.5551(6) 0.4264(10) 0.8659(16) 0.152(5) Uani 1 1 d . . . . .
O3 O 0.0383(10) 0.5003(7) 0.3461(12) 0.121(3) Uani 1 1 d D U . . .
O4 O -0.1324(11) 0.4228(11) 0.3211(16) 0.153(5) Uani 1 1 d . U . . .
N1 N 0.3865(6) 0.3412(7) 0.8579(13) 0.097(3) Uani 1 1 d . . . . .
N2 N -0.0463(10) 0.3400(9) 0.3325(14) 0.113(4) Uani 1 1 d . . . . .
C1 C 0.2209(7) 0.2247(7) 0.8994(13) 0.080(3) Uani 1 1 d . . . . .
H1 H 0.223444 0.220115 1.004326 0.097 Uiso 1 1 calc R U . . .
C2 C 0.2916(8) 0.3346(8) 0.8564(14) 0.088(3) Uani 1 1 d . . . . .
H2A H 0.275842 0.348779 0.761566 0.105 Uiso 1 1 calc R U . . .
H2B H 0.288719 0.379747 0.925543 0.105 Uiso 1 1 calc R U . . .
C3 C 0.3793(9) 0.2452(12) 0.8689(18) 0.111(4) Uani 1 1 d . U . . .
H3A H 0.397067 0.234521 0.964550 0.133 Uiso 1 1 calc R U . . .
H3B H 0.421698 0.238366 0.798978 0.133 Uiso 1 1 calc R U . . .
C4 C 0.2685(9) 0.1723(9) 0.8367(19) 0.104(4) Uani 1 1 d . U . . .
H4A H 0.256230 0.162397 0.734087 0.125 Uiso 1 1 calc R U . . .
H4B H 0.245875 0.108741 0.882859 0.125 Uiso 1 1 calc R U . . .
C5 C 0.4754(10) 0.4217(12) 0.8572(16) 0.108(4) Uani 1 1 d . U . . .
C6 C 0.5463(10) 0.6038(10) 0.8379(14) 0.122(5) Uani 1 1 d D U . . .
C7 C 0.4916(16) 0.6623(13) 0.831(3) 0.180(9) Uani 1 1 d D U . . .
H7A H 0.424058 0.618932 0.802716 0.270 Uiso 1 1 calc R U . . .
H7B H 0.523313 0.714807 0.761795 0.270 Uiso 1 1 calc R U . . .
H7C H 0.493087 0.689929 0.923786 0.270 Uiso 1 1 calc R U . . .
C8 C 0.5981(15) 0.6286(14) 0.9817(16) 0.173(9) Uani 1 1 d D U . . .
H8A H 0.551233 0.618139 1.056309 0.260 Uiso 1 1 calc R U . . .
H8B H 0.649981 0.696656 0.982096 0.260 Uiso 1 1 calc R U . . .
H8C H 0.625935 0.586666 0.998216 0.260 Uiso 1 1 calc R U . . .
C9 C 0.6154(14) 0.6156(15) 0.7172(18) 0.173(9) Uani 1 1 d D U . . .
H9A H 0.679752 0.671528 0.736269 0.259 Uiso 1 1 calc R U . . .
H9B H 0.590293 0.626089 0.628685 0.259 Uiso 1 1 calc R U . . .
H9C H 0.620414 0.556828 0.709634 0.259 Uiso 1 1 calc R U . . .
C10 C 0.0050(8) 0.2243(7) 0.2840(14) 0.082(3) Uani 1 1 d . . . . .
H10 H -0.003000 0.220719 0.179199 0.099 Uiso 1 1 calc R U . . .
C11 C -0.0952(9) 0.1739(11) 0.3561(19) 0.109(4) Uani 1 1 d . U . . .
H11A H -0.089252 0.166906 0.458744 0.131 Uiso 1 1 calc R U . . .
H11B H -0.138390 0.109110 0.314692 0.131 Uiso 1 1 calc R U . . .
C12 C -0.1330(15) 0.2457(14) 0.324(2) 0.135(5) Uani 1 1 d . U . . .
H12A H -0.162686 0.234134 0.229612 0.162 Uiso 1 1 calc R U . . .
H12B H -0.181432 0.239478 0.395529 0.162 Uiso 1 1 calc R U . . .
C13 C 0.0443(10) 0.3339(8) 0.3375(15) 0.096(3) Uani 1 1 d . . . . .
H13A H 0.070633 0.343634 0.434377 0.116 Uiso 1 1 calc R U . . .
H13B H 0.094676 0.381826 0.273630 0.116 Uiso 1 1 calc R U . . .
C14 C -0.0555(14) 0.4210(15) 0.330(2) 0.129(5) Uani 1 1 d . U . . .
C19 C 0.077(2) 0.6060(13) 0.320(3) 0.126(10) Uani 0.35(3) 1 d D U P A 2
C18 C 0.038(3) 0.635(2) 0.200(2) 0.143(9) Uani 0.65(3) 1 d D U P A 1
H18A H 0.086601 0.634246 0.136207 0.215 Uiso 0.65(3) 1 calc R U P A 1
H18B H 0.048638 0.700699 0.206188 0.215 Uiso 0.65(3) 1 calc R U P A 1
H18C H -0.027041 0.591034 0.162833 0.215 Uiso 0.65(3) 1 calc R U P A 1
C17 C 0.1622(19) 0.6618(17) 0.365(4) 0.146(9) Uani 0.65(3) 1 d D U P A 1
H17A H 0.188511 0.713716 0.294747 0.219 Uiso 0.65(3) 1 calc R U P A 1
H17B H 0.190467 0.620019 0.351767 0.219 Uiso 0.65(3) 1 calc R U P A 1
H17C H 0.178267 0.690388 0.459918 0.219 Uiso 0.65(3) 1 calc R U P A 1
C22 C -0.010(3) 0.604(3) 0.243(4) 0.101(10) Uani 0.35(3) 1 d D U P A 2
H22A H -0.004320 0.597386 0.140840 0.151 Uiso 0.35(3) 1 calc R U P A 2
H22B H -0.011176 0.663659 0.262039 0.151 Uiso 0.35(3) 1 calc R U P A 2
H22C H -0.071049 0.547912 0.276209 0.151 Uiso 0.35(3) 1 calc R U P A 2
C20 C 0.091(3) 0.644(2) 0.475(3) 0.108(11) Uani 0.35(3) 1 d D U P A 2
H20A H 0.132153 0.625449 0.526658 0.161 Uiso 0.35(3) 1 calc R U P A 2
H20B H 0.027087 0.615734 0.521083 0.161 Uiso 0.35(3) 1 calc R U P A 2
H20C H 0.120943 0.715008 0.474376 0.161 Uiso 0.35(3) 1 calc R U P A 2
C21 C 0.174(3) 0.657(6) 0.235(5) 0.173(16) Uani 0.35(3) 1 d D U P A 2
H21A H 0.159858 0.642850 0.134623 0.259 Uiso 0.35(3) 1 d R U P A 2
H21B H 0.218438 0.634140 0.265563 0.259 Uiso 0.35(3) 1 d R U P A 2
H21C H 0.204978 0.726980 0.250793 0.259 Uiso 0.35(3) 1 d R U P A 2
C16 C -0.010(2) 0.6115(19) 0.472(2) 0.127(7) Uani 0.65(3) 1 d D U P A 1
H16A H -0.079236 0.568341 0.455915 0.190 Uiso 0.65(3) 1 calc R U P A 1
H16B H 0.004641 0.678947 0.475164 0.190 Uiso 0.65(3) 1 calc R U P A 1
H16C H 0.009334 0.594727 0.560839 0.190 Uiso 0.65(3) 1 calc R U P A 1
C15 C 0.0484(18) 0.5996(12) 0.349(2) 0.116(6) Uani 0.65(3) 1 d D U P A 1


_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 Ag2 3.2928(14) . ?
Ag1 Ag2 3.2928(14) 2 ?
Ag1 Ag2 3.2928(14) 3 ?
Ag1 S1 2.466(3) 2 ?
Ag1 S1 2.466(3) . ?
Ag1 S1 2.466(3) 3 ?
Ag2 Ag3 3.2918(14) . ?
Ag2 S1 2.384(3) . ?
Ag2 S2 2.376(3) . ?
Ag3 S2 2.466(3) . ?
Ag3 S2 2.466(3) 2 ?
Ag3 S2 2.466(3) 3 ?
S1 C1 1.855(11) . ?
S2 C10 1.845(11) . ?
O1 C5 1.361(18) . ?
O1 C6 1.495(15) . ?
O2 C5 1.210(17) . ?
O3 C14 1.37(2) . ?
O3 C19 1.463(14) . ?
O3 C15 1.476(12) . ?
O4 C14 1.21(2) . ?
N1 C2 1.430(15) . ?
N1 C3 1.446(19) . ?
N1 C5 1.324(17) . ?
N2 C12 1.42(2) . ?
N2 C13 1.462(17) . ?
N2 C14 1.34(2) . ?
C1 H1 0.9800 . ?
C1 C2 1.556(13) . ?
C1 C4 1.470(16) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.549(18) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C6 C7 1.530(13) . ?
C6 C8 1.509(12) . ?
C6 C9 1.501(13) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10 0.9800 . ?
C10 C11 1.509(17) . ?
C10 C13 1.579(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.532(18) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C19 C22 1.530(15) . ?
C19 C20 1.533(15) . ?
C19 C21 1.527(15) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C18 C15 1.528(14) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17 C15 1.545(14) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9598 . ?
C21 H21B 0.9602 . ?
C21 H21C 0.9601 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 C15 1.522(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
Ag2 Ag1 Ag2 75.72(4) 2 3 ?
Ag2 Ag1 Ag2 75.72(4) . 3 ?
Ag2 Ag1 Ag2 75.72(4) . 2 ?
S1 Ag1 Ag2 46.19(7) 2 2 ?
S1 Ag1 Ag2 111.96(7) . 3 ?
S1 Ag1 Ag2 46.19(7) . . ?
S1 Ag1 Ag2 111.53(8) . 2 ?
S1 Ag1 Ag2 46.19(7) 3 3 ?
S1 Ag1 Ag2 111.96(7) 2 . ?
S1 Ag1 Ag2 111.53(8) 3 . ?
S1 Ag1 Ag2 111.53(8) 2 3 ?
S1 Ag1 Ag2 111.96(7) 3 2 ?
S1 Ag1 S1 119.947(7) . 3 ?
S1 Ag1 S1 119.946(7) 2 3 ?
S1 Ag1 S1 119.949(6) 2 . ?
Ag3 Ag2 Ag1 89.72(3) . . ?
S1 Ag2 Ag1 48.29(7) . . ?
S1 Ag2 Ag3 138.01(7) . . ?
S2 Ag2 Ag1 138.05(7) . . ?
S2 Ag2 Ag3 48.33(7) . . ?
S2 Ag2 S1 173.66(8) . . ?
Ag2 Ag3 Ag2 75.75(4) . 3 ?
Ag2 Ag3 Ag2 75.75(4) . 2 ?
Ag2 Ag3 Ag2 75.75(4) 3 2 ?
S2 Ag3 Ag2 111.83(6) 3 . ?
S2 Ag3 Ag2 111.46(7) 3 2 ?
S2 Ag3 Ag2 46.03(7) 2 2 ?
S2 Ag3 Ag2 111.45(7) . 3 ?
S2 Ag3 Ag2 111.83(6) . 2 ?
S2 Ag3 Ag2 111.83(6) 2 3 ?
S2 Ag3 Ag2 111.45(8) 2 . ?
S2 Ag3 Ag2 46.03(7) . . ?
S2 Ag3 Ag2 46.03(7) 3 3 ?
S2 Ag3 S2 119.960(5) 3 2 ?
S2 Ag3 S2 119.958(5) . 2 ?
S2 Ag3 S2 119.958(6) 3 . ?
Ag2 S1 Ag1 85.52(10) . . ?
C1 S1 Ag1 107.9(3) . . ?
C1 S1 Ag2 105.4(4) . . ?
Ag2 S2 Ag3 85.64(9) . . ?
C10 S2 Ag2 106.4(4) . . ?
C10 S2 Ag3 107.7(3) . . ?
C5 O1 C6 120.7(12) . . ?
C14 O3 C19 130.8(17) . . ?
C14 O3 C15 117.0(15) . . ?
C2 N1 C3 112.6(9) . . ?
C5 N1 C2 128.4(11) . . ?
C5 N1 C3 118.9(11) . . ?
C12 N2 C13 112.7(10) . . ?
C14 N2 C12 118.7(13) . . ?
C14 N2 C13 128.6(14) . . ?
S1 C1 H1 107.7 . . ?
C2 C1 S1 111.8(8) . . ?
C2 C1 H1 107.7 . . ?
C4 C1 S1 118.0(8) . . ?
C4 C1 H1 107.7 . . ?
C4 C1 C2 103.5(9) . . ?
N1 C2 C1 102.4(9) . . ?
N1 C2 H2A 111.3 . . ?
N1 C2 H2B 111.3 . . ?
C1 C2 H2A 111.3 . . ?
C1 C2 H2B 111.3 . . ?
H2A C2 H2B 109.2 . . ?
N1 C3 H3A 111.2 . . ?
N1 C3 H3B 111.2 . . ?
N1 C3 C4 103.1(11) . . ?
H3A C3 H3B 109.1 . . ?
C4 C3 H3A 111.2 . . ?
C4 C3 H3B 111.2 . . ?
C1 C4 C3 101.7(10) . . ?
C1 C4 H4A 111.4 . . ?
C1 C4 H4B 111.4 . . ?
C3 C4 H4A 111.4 . . ?
C3 C4 H4B 111.4 . . ?
H4A C4 H4B 109.3 . . ?
O2 C5 O1 125.7(15) . . ?
O2 C5 N1 127.8(16) . . ?
N1 C5 O1 106.5(12) . . ?
O1 C6 C7 100.4(12) . . ?
O1 C6 C8 108.8(11) . . ?
O1 C6 C9 110.9(12) . . ?
C8 C6 C7 105.7(18) . . ?
C9 C6 C7 118.3(16) . . ?
C9 C6 C8 111.8(15) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
S2 C10 H10 110.1 . . ?
C11 C10 S2 116.8(9) . . ?
C11 C10 H10 110.1 . . ?
C11 C10 C13 99.4(10) . . ?
C13 C10 S2 109.8(8) . . ?
C13 C10 H10 110.1 . . ?
C10 C11 H11A 111.3 . . ?
C10 C11 H11B 111.3 . . ?
C10 C11 C12 102.2(11) . . ?
H11A C11 H11B 109.2 . . ?
C12 C11 H11A 111.3 . . ?
C12 C11 H11B 111.3 . . ?
N2 C12 C11 103.4(13) . . ?
N2 C12 H12A 111.1 . . ?
N2 C12 H12B 111.1 . . ?
C11 C12 H12A 111.1 . . ?
C11 C12 H12B 111.1 . . ?
H12A C12 H12B 109.0 . . ?
N2 C13 C10 101.3(10) . . ?
N2 C13 H13A 111.5 . . ?
N2 C13 H13B 111.5 . . ?
C10 C13 H13A 111.5 . . ?
C10 C13 H13B 111.5 . . ?
H13A C13 H13B 109.3 . . ?
O4 C14 O3 127.3(18) . . ?
O4 C14 N2 126(2) . . ?
N2 C14 O3 106.2(14) . . ?
O3 C19 C22 101(2) . . ?
O3 C19 C20 100.3(18) . . ?
O3 C19 C21 115(4) . . ?
C22 C19 C20 113.4(17) . . ?
C21 C19 C22 114.2(18) . . ?
C21 C19 C20 112.2(17) . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.1 . . ?
C19 C21 H21B 111.1 . . ?
C19 C21 H21C 108.2 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
O3 C15 C18 112.5(16) . . ?
O3 C15 C17 98.4(15) . . ?
O3 C15 C16 112.5(15) . . ?
C18 C15 C17 99(2) . . ?
C16 C15 C18 118(2) . . ?
C16 C15 C17 114(2) . . ?

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 S1 C1 C2 160.4(7) . . . . ?
Ag1 S1 C1 C4 40.6(11) . . . . ?
Ag2 S1 C1 C2 70.2(8) . . . . ?
Ag2 S1 C1 C4 -49.6(10) . . . . ?
Ag2 S2 C10 C11 -45.5(10) . . . . ?
Ag2 S2 C10 C13 66.6(9) . . . . ?
Ag3 S2 C10 C11 45.0(11) . . . . ?
Ag3 S2 C10 C13 157.2(7) . . . . ?
S1 C1 C2 N1 -161.0(8) . . . . ?
S1 C1 C4 C3 164.8(10) . . . . ?
S2 C10 C11 C12 163.0(11) . . . . ?
S2 C10 C13 N2 -160.8(9) . . . . ?
N1 C3 C4 C1 -33.9(15) . . . . ?
C2 N1 C3 C4 13.5(16) . . . . ?
C2 N1 C5 O1 -5(2) . . . . ?
C2 N1 C5 O2 175.9(16) . . . . ?
C2 C1 C4 C3 40.8(14) . . . . ?
C3 N1 C2 C1 11.2(15) . . . . ?
C3 N1 C5 O1 178.9(12) . . . . ?
C3 N1 C5 O2 -1(3) . . . . ?
C4 C1 C2 N1 -33.0(13) . . . . ?
C5 O1 C6 C7 -176.9(14) . . . . ?
C5 O1 C6 C8 -66(2) . . . . ?
C5 O1 C6 C9 57.2(17) . . . . ?
C5 N1 C2 C1 -165.4(13) . . . . ?
C5 N1 C3 C4 -169.5(13) . . . . ?
C6 O1 C5 O2 0(2) . . . . ?
C6 O1 C5 N1 -179.7(11) . . . . ?
C10 C11 C12 N2 -36.2(18) . . . . ?
C11 C10 C13 N2 -37.8(13) . . . . ?
C12 N2 C13 C10 16.7(17) . . . . ?
C12 N2 C14 O3 177.3(15) . . . . ?
C12 N2 C14 O4 -1(3) . . . . ?
C13 N2 C12 C11 11.4(19) . . . . ?
C13 N2 C14 O3 -5(2) . . . . ?
C13 N2 C14 O4 177.2(18) . . . . ?
C13 C10 C11 C12 45.0(15) . . . . ?
C14 O3 C19 C22 -10(3) . . . . ?
C14 O3 C19 C20 106(2) . . . . ?
C14 O3 C19 C21 -133(3) . . . . ?
C14 O3 C15 C18 -76(3) . . . . ?
C14 O3 C15 C17 -179.3(18) . . . . ?
C14 O3 C15 C16 60(2) . . . . ?
C14 N2 C12 C11 -170.4(15) . . . . ?
C14 N2 C13 C10 -161.3(16) . . . . ?
C19 O3 C14 O4 -18(3) . . . . ?
C19 O3 C14 N2 164.4(19) . . . . ?
C15 O3 C14 O4 -1(3) . . . . ?
C15 O3 C14 N2 -179.4(13) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 55 electrons were 
found in a volume of 180Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
5[H2O] per Formula Unit 
which account for 50 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.333 0.667 0.578 26.6 6.8 ?
2 0.333 0.667 0.029 11.4 5.9 ?
3 0.667 0.333 -0.183 152.9 47.6 '5 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
