# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_glatthor12_twin1_hklf4
_database_code_depnum_ccdc_archive 'CCDC 1813120'
_audit_update_record             
;
2017-12-22 deposited with the CCDC.
2018-03-12 downloaded from the CCDC.
;
_audit_creation_date             2017-12-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C2 H3 Ag S2'
_chemical_formula_sum            'C2 H3 Ag S2'
_chemical_formula_weight         199.03
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C4 H6 Ag2 S4'
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'
S S 0.3331 0.5567 '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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.34406(20)
_cell_length_b                   6.15316(10)
_cell_length_c                   7.8771(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.950(3)
_cell_angle_gamma                90
_cell_volume                     446.087(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10208
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      72.4810
_cell_measurement_theta_min      4.7230
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    43.329
_exptl_absorpt_correction_T_max  0.503
_exptl_absorpt_correction_T_min  0.067
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.964
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             376
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.0098
0 -1 -1 0.0383
0 1 1 0.0383
1 3 -3 0.0476
-1 -3 3 0.0476
1 0 0 0.0098

_exptl_crystal_size_max          0.118
_exptl_crystal_size_mid          0.079
_exptl_crystal_size_min          0.02
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.9979 0.0003 -0.0007 -0.0224 0.1648 -0.0187
0.0021 -0.9976 -1.0011 -0.2128 -0.0212 -0.2374
-0.0021 0.9976 1.0011 0.2128 0.0212 0.2374
0.9993 2.9947 -2.9898 0.8463 -0.0000 -0.4414
-0.9993 -2.9947 2.9898 -0.8463 0.0000 0.4414
0.9979 -0.0003 0.0007 0.0224 -0.1648 0.0187

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?

_diffrn_reflns_av_R_equivalents  0.0861
_diffrn_reflns_av_sigmaI/netI    0.0141


_diffrn_reflns_av_unetI/netI     0.0043
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -8

_diffrn_reflns_number            26073

_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.888
_diffrn_reflns_theta_min         4.805
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3114
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -116.00 -11.00   1.00    3.00    --  -42.33 -77.00 -60.00  105
  2  ω   -116.00 -11.00   1.00    3.00    --  -42.33 -77.00  30.00  105
  3  ω   -115.00 -20.00   1.00    3.00    --  -42.33 -38.00 -60.00   95
  4  ω   -116.00 -11.00   1.00    3.00    --  -42.33 -77.00-120.00  105
  5  ω   -116.00 -11.00   1.00    3.00    --  -42.33 -77.00  60.00  105
  6  ω   -116.00 -11.00   1.00    3.00    --  -42.33 -77.00-180.00  105
  7  ω   -112.00 -16.00   1.00    3.00    --  -42.33 -57.00  90.00   96
  8  ω   -121.00  -5.00   1.00    3.00    --  -42.33 -19.00 150.00  116
  9  ω    -30.00  65.00   1.00    3.00    --   42.33 -38.00-120.00   95
 10  ω     20.00  95.00   1.00    3.00    --   42.33-121.00  56.00   75
 11  ω     57.00 129.00   1.00    3.00    --   42.33 178.00-150.00   72
 12  ω     57.00 129.00   1.00    3.00    --   42.33 178.00 -60.00   72
 13  ω     30.00 109.00   1.00    9.50    --  111.00 -94.00-180.00   79
 14  ω     30.00 109.00   1.00    9.50    --  111.00 -94.00 120.00   79
 15  ω     94.00 178.00   1.00    9.50    --  111.00 125.00-180.00   84
 16  ω     41.00 139.00   1.00    9.50    --  111.00 -61.00-120.00   98
 17  ω     87.00 178.00   1.00    9.50    --  111.00  45.00  30.00   91
 18  ω     84.00 178.00   1.00    9.50    --  111.00  60.00 107.45   94
 19  ω     80.00 178.00   1.00    9.50    --  111.00  77.00 120.00   98
 20  ω     80.00 178.00   1.00    9.50    --  111.00  77.00 -30.00   98
 21  ω     87.00 178.00   1.00    9.50    --  111.00  45.00-150.00   91
 22  ω     83.00 178.00   1.00    9.50    --  111.00  61.00-120.00   95
 23  ω     87.00 178.00   1.00    9.50    --  111.00  45.00  90.00   91
 24  ω     83.00 178.00   1.00    9.50    --  111.00  61.00  60.00   95
 25  ω     83.00 178.00   1.00    9.50    --  111.00  61.00 120.00   95
 26  ω     87.00 178.00   1.00    9.50    --  111.00  45.00   0.00   91
 27  ω     39.00 121.00   1.00    9.50    --  111.00-125.00  60.00   82
 28  ω     83.00 178.00   1.00    9.50    --  111.00  61.00 -60.00   95
 29  ω     83.00 178.00   1.00    9.50    --  111.00  61.00-150.00   95
 30  ω     83.00 178.00   1.00    9.50    --  111.00  61.00 150.00   95
 31  ω     83.00 178.00   1.00    9.50    --  111.00  61.00  90.00   95
 32  ω     83.00 178.00   1.00    9.50    --  111.00  61.00   0.00   95
 33  ω     83.00 178.00   1.00    9.50    --  111.00  61.00 -30.00   95
 34  ω     83.00 178.00   1.00    9.50    --  111.00  61.00-180.00   95
 35  ω     87.00 178.00   1.00    9.50    --  111.00  45.00  60.00   91
 36  ω     80.00 178.00   1.00    9.50    --  111.00  77.00-150.00   98
 37  ω     30.00 109.00   1.00    9.50    --  111.00 -94.00-120.00   79
 38  ω     83.00 178.00   1.00    9.50    --  111.00  61.00 -90.00   95
 39  ω     87.00 178.00   1.00    9.50    --  111.00  45.00 -60.00   91
 40  ω     80.00 178.00   1.00    9.50    --  111.00  77.00 -60.00   98
 41  ω     80.00 178.00   1.00    9.50    --  111.00  77.00 150.00   98
 42  ω     87.00 178.00   1.00    9.50    --  111.00  45.00 -90.00   91
 43  ω     84.00 178.00   1.00    9.50    --  111.00  59.00  29.33   94
 44  ω   -115.00 -20.00   1.00    3.00    --  -42.33 -38.00  60.00   95
 45  ω   -115.00 -20.00   1.00    3.00    --  -42.33 -38.00 -90.00   95
 46  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00-180.00  173
 47  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00-120.00  173
 48  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00 -90.00  173
 49  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00 -60.00  173
 50  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00   0.00  173
 51  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00 -30.00  173
 52  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00  30.00  173
 53  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00  60.00  173
 54  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00  90.00  173
 55  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00 120.00  173
 56  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00 150.00  173
 57  ω    -44.00 129.00   1.00    3.00    --   42.33   0.00-150.00  173
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0225633000
_diffrn_orient_matrix_UB_12      0.2443081000
_diffrn_orient_matrix_UB_13      -0.0308044000
_diffrn_orient_matrix_UB_21      -0.1650878000
_diffrn_orient_matrix_UB_22      0.0380338000
_diffrn_orient_matrix_UB_23      -0.0170769000
_diffrn_orient_matrix_UB_31      0.0186128000
_diffrn_orient_matrix_UB_32      0.0416945000
_diffrn_orient_matrix_UB_33      0.1956079000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1614
_reflns_number_total             1658
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.626
_refine_diff_density_min         -1.069
_refine_diff_density_rms         0.230
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     48
_refine_ls_number_reflns         1658
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0304
_refine_ls_restrained_S_all      1.161
_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)+(0.0658P)²+0.6017P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.0925
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.6671(16)
 0.3329(16)
2. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
3.a Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C)
;
_atom_sites_solution_hydrogens   geom
_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 0.10642(4) 0.62659(5) 0.62236(5) 0.0161(2) Uani 1 1 d . . . . .
S1 S 0.26253(13) 0.64221(16) 0.39919(17) 0.0136(3) Uani 1 1 d . . . . .
S2 S 0.12743(11) 0.20289(19) 0.33134(16) 0.0157(3) Uani 1 1 d . . . . .
C1 C 0.2576(6) 0.3871(7) 0.3167(7) 0.0136(10) Uani 1 1 d . . . . .
C2 C 0.3826(5) 0.3227(9) 0.2302(8) 0.0192(10) Uani 1 1 d . . . . .
H2A H 0.395235 0.429825 0.145428 0.029 Uiso 1 1 calc GR . . . .
H2B H 0.362643 0.184156 0.175224 0.029 Uiso 1 1 calc GR . . . .
H2C H 0.469632 0.313130 0.314762 0.029 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 Ag1 2.9621(7) 3_566 ?
Ag1 S1 2.4725(14) . ?
Ag1 S1 2.7942(13) 4_576 ?
Ag1 S2 2.5068(11) 3_566 ?
Ag1 S2 2.5974(12) 4_566 ?
S1 C1 1.697(5) . ?
S2 C1 1.681(5) . ?
C1 C2 1.503(7) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 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
S1 Ag1 Ag1 88.28(3) . 3_566 ?
S1 Ag1 Ag1 167.67(3) 4_576 3_566 ?
S1 Ag1 S1 104.04(4) . 4_576 ?
S1 Ag1 S2 136.33(4) . 3_566 ?
S1 Ag1 S2 119.45(4) . 4_566 ?
S2 Ag1 Ag1 88.32(3) 4_566 3_566 ?
S2 Ag1 Ag1 79.09(3) 3_566 3_566 ?
S2 Ag1 S1 86.03(4) 4_566 4_576 ?
S2 Ag1 S1 91.37(4) 3_566 4_576 ?
S2 Ag1 S2 101.93(3) 3_566 4_566 ?
Ag1 S1 Ag1 106.39(4) . 4_575 ?
C1 S1 Ag1 101.32(18) . 4_575 ?
C1 S1 Ag1 104.85(19) . . ?
Ag1 S2 Ag1 116.53(4) 3_566 4_565 ?
C1 S2 Ag1 112.77(17) . 3_566 ?
C1 S2 Ag1 117.33(19) . 4_565 ?
S2 C1 S1 124.7(3) . . ?
C2 C1 S1 116.5(4) . . ?
C2 C1 S2 118.8(4) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 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 S2 -89.9(3) 4_575 . . . ?
Ag1 S1 C1 S2 20.6(4) . . . . ?
Ag1 S1 C1 C2 92.3(4) 4_575 . . . ?
Ag1 S1 C1 C2 -157.2(4) . . . . ?
Ag1 S2 C1 S1 23.1(4) 3_566 . . . ?
Ag1 S2 C1 S1 162.8(3) 4_565 . . . ?
Ag1 S2 C1 C2 -159.1(4) 3_566 . . . ?
Ag1 S2 C1 C2 -19.4(5) 4_565 . . . ?

_olex2_date_sample_data_collection 1453849200
_olex2_date_sample_submission    1453762800
_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 5.080
_oxdiff_exptl_absorpt_empirical_full_min 0.474
_oxdiff_twin_integration_method  simultaneous
_oxdiff_twin_items               2
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_oxdiff_twin_reflns_isolated
_oxdiff_twin_reflns_overlapped
_twin_individual_twin_lattice_type
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
1 0.6671(16) 11028 4090 ref 1.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000
0.0000 1.0000
2 0.3329(16) 10955 4090 nmt -1.0000 -0.0006 -0.4098 0.0002 -0.9999 0.0001
0.0003 0.0004 0.9998

_twin_special_details            
;
Component 2 rotated by 179.9841° 
 around [-0.20 0.00 0.98] (reciprocal) or [0.00 0.00 1.00] (direct)
;
####################################################################### 
# 
# 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_glatthor11

_database_code_depnum_ccdc_archive 'CCDC 1813121'
_audit_update_record             
;
2018-02-28 deposited with the CCDC.
2018-03-12 downloaded from the CCDC.
;

_audit_creation_date             2018-02-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Ag C7 F5 S2'
_chemical_formula_sum            'C7 Ag F5 S2'
_chemical_formula_weight         351.06
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C16 H5 Ag2 F10 S4'
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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'

_cell_length_a                   30.2479(5)
_cell_length_b                   10.4435(2)
_cell_length_c                   5.98706(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1891.27(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    13194
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      72.2110
_cell_measurement_theta_min      2.9020
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    21.682
_exptl_absorpt_correction_T_max  0.866
_exptl_absorpt_correction_T_min  0.207
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.466
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1328
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 5 0 0.0279
-2 -5 0 0.0279
1 0 -4 0.0674
-1 0 4 0.0674
-1 0 0 0.0033
1 0 0 0.0033

_exptl_crystal_size_max          0.135
_exptl_crystal_size_mid          0.057
_exptl_crystal_size_min          0.007
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2.1116 4.9911 0.0009 -0.0525 0.0141 -0.7419
-2.1116 -4.9911 -0.0009 0.0525 -0.0141 0.7419
1.0857 -0.0021 -3.9996 1.0261 0.0551 -0.0793
-1.0857 0.0021 3.9996 -1.0261 -0.0551 0.0793
-1.0000 0.0029 -0.0006 0.0006 -0.0506 0.0060
1.0000 -0.0029 0.0006 -0.0006 0.0506 -0.0060

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_av_unetI/netI     0.0151
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            28780
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.122
_diffrn_reflns_theta_min         2.922
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3114
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -55.00  28.00   1.00    8.03    --  -38.50  38.00 -60.00   83
  2  ω   -108.00  -5.00   1.00    8.03    --  -38.50 -19.00 -90.00  103
  3  ω    -45.00  32.00   1.00    8.03    --  -38.50  38.00  30.00   77
  4  ω     70.00 107.00   1.00    8.03    --   42.95  57.00  30.00   37
  5  ω     13.00 109.00   1.00    8.03    --   42.95  77.00 120.00   96
  6  ω     83.00 110.00   1.00    8.03    --   42.95  57.00 -90.00   27
  7  ω     91.00 126.00   1.00    8.03    --   42.95 178.00  90.00   35
  8  ω     13.00  66.00   1.00    8.03    --   42.95  77.00 -60.00   53
  9  ω     13.00  75.00   1.00    8.03    --   42.95  77.00  30.00   62
 10  ω     13.00  66.00   1.00    8.03    --   42.95  77.00-150.00   53
 11  ω     82.00 112.00   1.00    8.03    --   42.95  77.00-150.00   30
 12  ω     18.00  49.00   1.00    8.03    --   42.95  57.00  30.00   31
 13  ω     61.00 122.00   1.00    8.03    --   42.95 178.00 -90.00   61
 14  ω     18.00  53.00   1.00    8.03    --   42.95  57.00 -90.00   35
 15  ω     59.00 105.00   1.00    8.03    --   42.95 178.00-180.00   46
 16  ω    123.00 163.00   1.00   32.10    --  111.00  77.00  90.00   40
 17  ω     86.00 113.00   1.00   32.10    --  111.00  61.00 -60.00   27
 18  ω     54.00 117.00   1.00   32.10    --  111.00-125.00  30.00   63
 19  ω     43.00 137.00   1.00   32.10    --  111.00 -61.00-150.00   94
 20  ω     32.00  93.00   1.00   32.10    --  111.00 -94.00  60.00   61
 21  ω     84.00 124.00   1.00   32.10    --  111.00  63.00  38.99   40
 22  ω     85.00 112.00   1.00   32.10    --  111.00  61.00  66.30   27
 23  ω     85.00 111.00   1.00   32.10    --  111.00  61.00   0.00   26
 24  ω     45.00  71.00   1.00   32.10    --  111.00 -45.00 -30.00   26
 25  ω     97.00 122.00   1.00   32.10    --  111.00 -45.00 -30.00   25
 26  ω     85.00 137.00   1.00   32.10    --  111.00  61.00-120.00   52
 27  ω     81.00 107.00   1.00   32.10    --  111.00  77.00 120.00   26
 28  ω     81.00 120.00   1.00   32.10    --  111.00  77.00  90.00   39
 29  ω     81.00 107.00   1.00   32.10    --  111.00  77.00 150.00   26
 30  ω     62.00 108.00   1.00   32.10    --  111.00 -94.00-120.00   46
 31  ω     85.00 120.00   1.00   32.10    --  111.00  61.00 -90.00   35
 32  ω     85.00 135.00   1.00   32.10    --  111.00  61.00 -30.00   50
 33  ω     32.00 106.00   1.00   32.10    --  111.00 -94.00 120.00   74
 34  ω     85.00 168.00   1.00   32.10    --  111.00  61.00 120.00   83
 35  ω    118.00 175.00   1.00   32.10    --  111.00  77.00  60.00   57
 36  ω    126.00 173.00   1.00   32.10    --  111.00  63.00-145.20   47
 37  ω     81.00 107.00   1.00   32.10    --  111.00  77.00  60.00   26
 38  ω    111.00 172.00   1.00   32.10    --  111.00  77.00   0.00   61
 39  ω     81.00 107.00   1.00   32.10    --  111.00  77.00   0.00   26
 40  ω     81.00 178.00   1.00   32.10    --  111.00  77.00 -90.00   97
 41  ω     85.00 177.00   1.00   32.10    --  111.00  61.00 150.00   92
 42  ω     85.00 111.00   1.00   32.10    --  111.00  61.00-180.00   26
 43  ω     81.00 107.00   1.00   32.10    --  111.00  77.00-150.00   26
 44  ω     81.00 107.00   1.00   32.10    --  111.00  77.00-180.00   26
 45  ω     81.00 107.00   1.00   32.10    --  111.00  77.00 -30.00   26
 46  ω    117.00 178.00   1.00   32.10    --  111.00  77.00 -30.00   61
 47  ω     81.00 107.00   1.00   32.10    --  111.00  77.00  30.00   26
 48  ω    111.00 176.00   1.00   32.10    --  111.00  77.00  30.00   65
 49  ω     81.00 160.00   1.00   32.10    --  111.00  77.00-120.00   79
 50  ω    118.00 150.00   1.00   32.10    --  111.00  77.00 -60.00   32
 51  ω     81.00 113.00   1.00   32.10    --  111.00  77.00 -60.00   32
 52  ω     85.00 111.00   1.00   32.10    --  111.00  61.00-150.00   26
 53  ω     90.00 115.00   1.00   32.10    --  111.00  45.00   0.00   25
 54  ω     85.00 120.00   1.00   32.10    --  111.00  61.00  30.00   35
 55  ω     85.00 114.00   1.00   32.10    --  111.00  61.00  90.00   29
 56  ω     32.00 107.00   1.00   32.10    --  111.00 -94.00-180.00   75
 57  ω     84.00 115.00   1.00   32.10    --  111.00  63.00-145.20   31
 58  ω     88.00  99.00   1.00   32.10    --  111.00  50.00  66.08   11
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0004477000
_diffrn_orient_matrix_UB_12      -0.0102869000
_diffrn_orient_matrix_UB_13      -0.2566741000
_diffrn_orient_matrix_UB_21      0.0505396000
_diffrn_orient_matrix_UB_22      -0.0185478000
_diffrn_orient_matrix_UB_23      -0.0000360000
_diffrn_orient_matrix_UB_31      -0.0063936000
_diffrn_orient_matrix_UB_32      -0.1459429000
_diffrn_orient_matrix_UB_33      0.0181551000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1718
_reflns_number_total             1869
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
Structure contains heavy disordered solvent molecul, which couldn't be refined 
properly, so the SQUEEZE algorithm of Olex2 was applied. 

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 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.598
_refine_diff_density_min         -0.359
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1869
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0214
_refine_ls_restrained_S_all      1.043
_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)+(0.0281P)²+3.8145P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0541
_refine_ls_wR_factor_ref         0.0557
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.52712(2) 0.33943(2) 0.45588(3) 0.02238(9) Uani 1 1 d . . . . .
S1 S 0.45303(2) 0.38420(7) 0.61303(11) 0.01586(14) Uani 1 1 d . . . . .
S2 S 0.41096(2) 0.24066(7) 0.23328(11) 0.01761(15) Uani 1 1 d . . . . .
F1 F 0.38030(5) 0.04607(16) 0.5791(3) 0.0200(3) Uani 1 1 d . . . . .
F2 F 0.30583(6) -0.00443(17) 0.8040(3) 0.0229(4) Uani 1 1 d . . . . .
F3 F 0.25856(6) 0.18954(19) 0.9919(3) 0.0261(4) Uani 1 1 d . . . . .
F4 F 0.28635(5) 0.43469(18) 0.9483(3) 0.0242(4) Uani 1 1 d . . . . .
F5 F 0.35999(5) 0.48867(15) 0.7155(3) 0.0182(3) Uani 1 1 d . . . . .
C1 C 0.37234(8) 0.2696(3) 0.6341(4) 0.0142(5) Uani 1 1 d . . . . .
C2 C 0.35750(9) 0.1447(3) 0.6648(5) 0.0154(5) Uani 1 1 d . . . . .
C3 C 0.31948(9) 0.1168(3) 0.7840(5) 0.0176(5) Uani 1 1 d . . . . .
C4 C 0.29580(9) 0.2150(3) 0.8802(5) 0.0183(6) Uani 1 1 d . . . . .
C5 C 0.30996(9) 0.3396(3) 0.8583(5) 0.0168(6) Uani 1 1 d . . . . .
C6 C 0.34791(9) 0.3658(3) 0.7371(4) 0.0147(5) Uani 1 1 d . . . . .
C7 C 0.41199(9) 0.2971(3) 0.4924(4) 0.0143(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag1 2.9614(4) 4_655 ?
Ag1 S1 2.6908(7) 4_656 ?
Ag1 S1 2.4751(6) . ?
Ag1 S2 2.4197(7) 4_655 ?
S1 C7 1.700(3) . ?
S2 C7 1.660(3) . ?
F1 C2 1.342(3) . ?
F2 C3 1.337(3) . ?
F3 C4 1.337(3) . ?
F4 C5 1.336(3) . ?
F5 C6 1.341(3) . ?
C1 C2 1.391(4) . ?
C1 C6 1.391(4) . ?
C1 C7 1.497(4) . ?
C2 C3 1.384(4) . ?
C3 C4 1.377(4) . ?
C4 C5 1.377(4) . ?
C5 C6 1.385(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
S1 Ag1 Ag1 157.230(16) 4_656 4_655 ?
S1 Ag1 Ag1 79.324(17) . 4_655 ?
S1 Ag1 S1 78.73(2) . 4_656 ?
S2 Ag1 Ag1 92.254(18) 4_655 4_655 ?
S2 Ag1 S1 110.51(2) 4_655 4_656 ?
S2 Ag1 S1 163.61(3) 4_655 . ?
Ag1 S1 Ag1 97.46(2) . 4_656 ?
C7 S1 Ag1 118.52(10) . 4_656 ?
C7 S1 Ag1 113.50(10) . . ?
C7 S2 Ag1 105.74(10) . 4_655 ?
C2 C1 C6 116.5(2) . . ?
C2 C1 C7 120.9(2) . . ?
C6 C1 C7 122.5(2) . . ?
F1 C2 C1 120.2(2) . . ?
F1 C2 C3 117.5(2) . . ?
C3 C2 C1 122.3(2) . . ?
F2 C3 C2 120.2(3) . . ?
F2 C3 C4 120.5(2) . . ?
C4 C3 C2 119.4(3) . . ?
F3 C4 C3 120.0(3) . . ?
F3 C4 C5 119.9(3) . . ?
C5 C4 C3 120.2(2) . . ?
F4 C5 C4 119.9(2) . . ?
F4 C5 C6 120.5(3) . . ?
C4 C5 C6 119.6(3) . . ?
F5 C6 C1 120.3(2) . . ?
F5 C6 C5 117.7(2) . . ?
C5 C6 C1 122.0(3) . . ?
S2 C7 S1 126.93(17) . . ?
C1 C7 S1 116.6(2) . . ?
C1 C7 S2 116.5(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 C7 S2 -141.81(15) 4_656 . . . ?
Ag1 S1 C7 S2 -28.4(2) . . . . ?
Ag1 S1 C7 C1 38.9(2) 4_656 . . . ?
Ag1 S1 C7 C1 152.29(17) . . . . ?
Ag1 S2 C7 S1 -10.0(2) 4_655 . . . ?
Ag1 S2 C7 C1 169.27(18) 4_655 . . . ?
F1 C2 C3 F2 -2.3(4) . . . . ?
F1 C2 C3 C4 178.1(2) . . . . ?
F2 C3 C4 F3 -0.9(4) . . . . ?
F2 C3 C4 C5 -179.8(3) . . . . ?
F3 C4 C5 F4 -0.2(4) . . . . ?
F3 C4 C5 C6 -178.2(2) . . . . ?
F4 C5 C6 F5 0.5(4) . . . . ?
F4 C5 C6 C1 -177.5(2) . . . . ?
C1 C2 C3 F2 178.2(2) . . . . ?
C1 C2 C3 C4 -1.4(4) . . . . ?
C2 C1 C6 F5 -179.9(2) . . . . ?
C2 C1 C6 C5 -2.0(4) . . . . ?
C2 C1 C7 S1 -126.0(2) . . . . ?
C2 C1 C7 S2 54.6(3) . . . . ?
C2 C3 C4 F3 178.7(3) . . . . ?
C2 C3 C4 C5 -0.2(4) . . . . ?
C3 C4 C5 F4 178.7(3) . . . . ?
C3 C4 C5 C6 0.7(4) . . . . ?
C4 C5 C6 F5 178.5(2) . . . . ?
C4 C5 C6 C1 0.5(4) . . . . ?
C6 C1 C2 F1 -177.1(2) . . . . ?
C6 C1 C2 C3 2.4(4) . . . . ?
C6 C1 C7 S1 55.5(3) . . . . ?
C6 C1 C7 S2 -123.9(2) . . . . ?
C7 C1 C2 F1 4.3(4) . . . . ?
C7 C1 C2 C3 -176.2(3) . . . . ?
C7 C1 C6 F5 -1.4(4) . . . . ?
C7 C1 C6 C5 176.6(3) . . . . ?

_smtbx_masks_special_details     ?
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 0.000 0.500 0.544 101.6 39.8 ?
2 0.500 0.000 -0.162 101.6 39.8 ?

_olex2_date_sample_data_collection 1453736596.91
_olex2_date_sample_submission    1453676400
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.244
_oxdiff_exptl_absorpt_empirical_full_min 0.689
####################################################################### 
# 
# 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_glatthor47
_database_code_depnum_ccdc_archive 'CCDC 1813124'
_audit_update_record             
;
2017-12-22 deposited with the CCDC.
2018-03-12 downloaded from the CCDC.
;
_audit_creation_date             2017-11-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C100 H100 Ag4 S8, 5(C4 H10 O)'
_chemical_formula_sum            'C120 H150 Ag4 O5 S8'
_chemical_formula_weight         2360.35
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C122 H122 Ag4 O6 S8'
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'
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           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.37747(14)
_cell_length_b                   18.07547(15)
_cell_length_c                   25.5036(2)
_cell_angle_alpha                104.5291(7)
_cell_angle_beta                 92.4516(8)
_cell_angle_gamma                108.1225(9)
_cell_volume                     5624.40(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    115179
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      72.5430
_cell_measurement_theta_min      3.5070
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.288
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.073
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
'CrysAlisPro 1.171.39.15e (Rigaku Oxford Diffraction, 2015) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2452
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.0732
0 0 -1 0.0732
0 -5 -2 0.1812
0 5 2 0.1812
4 1 -5 0.2797
-4 -1 5 0.2797
2 -5 -4 0.2011
-2 5 4 0.2011
-4 5 -1 0.2677
4 -5 1 0.2677

_exptl_crystal_size_max          0.706
_exptl_crystal_size_mid          0.501
_exptl_crystal_size_min          0.146
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0012 0.0000 1.0011 -0.0263 0.0350 0.0453
0.0012 -0.0000 -1.0011 0.0263 -0.0350 -0.0453
0.0124 -5.0059 -2.0153 0.2709 0.2287 -0.3759
-0.0124 5.0059 2.0153 -0.2709 -0.2287 0.3759
4.0014 1.0136 -5.0217 -0.3768 -0.2859 -0.3129
-4.0014 -1.0136 5.0217 0.3768 0.2859 0.3129
2.0135 -4.9997 -4.0269 0.0912 0.1331 -0.5382
-2.0135 4.9997 4.0269 -0.0912 -0.1331 0.5382
-4.0060 4.9934 -0.9692 0.2724 -0.2825 0.3833
4.0060 -4.9934 0.9692 -0.2724 0.2825 -0.3833

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0703
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            194247
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.129
_diffrn_reflns_theta_min         2.678
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3114
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -100.00   5.00   1.00    2.46    --  -26.35 -77.00 150.00  105
  2  ω    -99.00  -4.00   1.00    2.46    --  -26.35 -38.00-150.00   95
  3  ω    -99.00  -4.00   1.00    2.46    --  -26.35 -38.00  30.00   95
  4  ω    -96.00   0.00   1.00    2.46    --  -26.35 -57.00-180.00   96
  5  ω   -112.00 -34.00   1.00    2.46    --  -26.35 178.00-150.00   78
  6  ω    -99.00  -4.00   1.00    2.46    --  -26.35 -38.00  60.00   95
  7  ω   -100.00   5.00   1.00    2.46    --  -26.35 -77.00-180.00  105
  8  ω   -105.00  11.00   1.00    2.46    --  -26.35 -19.00  60.00  116
  9  ω   -105.00  11.00   1.00    2.46    --  -26.35 -19.00 -90.00  116
 10  ω    -96.00   0.00   1.00    2.46    --  -26.35 -57.00 -60.00   96
 11  ω    -96.00   0.00   1.00    2.46    --  -26.35 -57.00 -30.00   96
 12  ω   -113.00 -35.00   1.00    2.46    --  -26.35-178.00-180.00   78
 13  ω   -100.00   5.00   1.00    2.46    --  -26.35 -77.00 -60.00  105
 14  ω    -58.00  47.00   1.00    2.46    --  -26.35  77.00  90.00  105
 15  ω    -96.00   0.00   1.00    2.46    --  -26.35 -57.00  30.00   96
 16  ω   -112.00 -34.00   1.00    2.46    --  -26.35 178.00 -60.00   78
 17  ω    -99.00  -4.00   1.00    2.46    --  -26.35 -38.00-150.00   95
 18  ω      1.00  66.00   1.00    2.46    --   26.35 -99.00 -60.00   65
 19  ω      1.00  66.00   1.00    2.46    --   26.35 -99.00-150.00   65
 20  ω     55.00 112.00   1.00    2.46    --   26.35-178.00 -60.00   57
 21  ω      1.00  66.00   1.00    2.46    --   26.35 -99.00 120.00   65
 22  ω     19.00  78.00   1.00    2.46    --   26.35-120.00  48.56   59
 23  ω     30.00 109.00   1.00    9.81    --  111.00 -94.00   0.00   79
 24  ω     30.00 109.00   1.00    9.81    --  111.00 -94.00 -90.00   79
 25  ω     82.00 178.00   1.00    9.81    --  111.00  68.00 179.36   96
 26  ω     83.00 178.00   1.00    9.81    --  111.00  61.00 -60.00   95
 27  ω     39.00 121.00   1.00    9.81    --  111.00-125.00 150.00   82
 28  ω     85.00 178.00   1.00    9.81    --  111.00  52.00  84.57   93
 29  ω     83.00 178.00   1.00    9.81    --  111.00  64.00   3.16   95
 30  ω     82.00 178.00   1.00    9.81    --  111.00  66.00-141.22   96
 31  ω     83.00 178.00   1.00    9.81    --  111.00  65.00 -29.59   95
 32  ω     81.00 178.00   1.00    9.81    --  111.00  70.00  34.48   97
 33  ω     83.00 178.00   1.00    9.81    --  111.00  61.00  60.00   95
 34  ω     81.00 178.00   1.00    9.81    --  111.00  73.00 -63.76   97
 35  ω     86.00 178.00   1.00    9.81    --  111.00  49.00 123.54   92
 36  ω     85.00 178.00   1.00    9.81    --  111.00  52.00  47.90   93
 37  ω     83.00 178.00   1.00    9.81    --  111.00  61.00 120.00   95
 38  ω     39.00 121.00   1.00    9.81    --  111.00-125.00 120.00   82
 39  ω     80.00 178.00   1.00    9.81    --  111.00  77.00 -60.00   98
 40  ω     83.00 178.00   1.00    9.81    --  111.00  61.00-180.00   95
 41  ω     83.00 178.00   1.00    9.81    --  111.00  61.00 -30.00   95
 42  ω     80.00 178.00   1.00    9.81    --  111.00  77.00-120.00   98
 43  ω     83.00 178.00   1.00    9.81    --  111.00  61.00-120.00   95
 44  ω     80.00 178.00   1.00    9.81    --  111.00  77.00  90.00   98
 45  ω     88.00 178.00   1.00    9.81    --  111.00  39.00 -94.17   90
 46  ω     80.00 178.00   1.00    9.81    --  111.00  77.00 -90.00   98
 47  ω     85.00 178.00   1.00    9.81    --  111.00  56.00 137.84   93
 48  ω     80.00 178.00   1.00    9.81    --  111.00  77.00  60.00   98
 49  ω     30.00 109.00   1.00    9.81    --  111.00 -94.00 -30.00   79
 50  ω     80.00 178.00   1.00    9.81    --  111.00  77.00-180.00   98
 51  ω     80.00 178.00   1.00    9.81    --  111.00  77.00 -30.00   98
 52  ω     87.00 178.00   1.00    9.81    --  111.00  45.00 -30.00   91
 53  ω     83.00 178.00   1.00    9.81    --  111.00  61.00  21.94   95
 54  ω     83.00 178.00   1.00    9.81    --  111.00  61.00-140.70   95
 55  ω     39.00 121.00   1.00    9.81    --  111.00-125.00 -30.00   82
 56  ω     87.00 178.00   1.00    9.81    --  111.00  45.00 -60.00   91
 57  ω     83.00 178.00   1.00    9.81    --  111.00  61.00-150.00   95
 58  ω     85.00 115.00   1.00    9.81    --  111.00  53.00-155.75   30
 59  ω     83.00 110.00   1.00    9.81    --  111.00  61.00 166.71   27
 60  ω     83.00 109.00   1.00    9.81    --  111.00  61.00   0.00   26
 61  ω     84.00 110.00   1.00    9.81    --  111.00  59.00  16.00   26
 62  ω     80.00 106.00   1.00    9.81    --  111.00  77.00 120.00   26
 63  ω     81.00 107.00   1.00    9.81    --  111.00  71.00  41.11   26
 64  ω     31.00  74.00   1.00    9.81    --  111.00 -94.00-150.00   43
 65  ω     83.00 109.00   1.00    9.81    --  111.00  61.00  90.00   26
 66  ω     67.00 106.00   1.00    9.81    --  111.00  15.00-150.00   39
 67  ω     80.00 107.00   1.00    9.81    --  111.00  75.00 140.21   27
 68  ω     87.00 114.00   1.00    9.81    --  111.00  45.00 120.00   27
 69  ω     80.00 107.00   1.00    9.81    --  111.00  77.00 150.00   27
 70  ω    114.00 177.00   1.00    9.81    --  111.00  77.00 150.00   63
 71  ω    153.00 178.00   1.00    9.81    --  111.00  66.00 142.78   25
 72  ω     83.00 109.00   1.00    9.81    --  111.00  61.00 -90.00   26
 73  ω     49.00 138.00   1.00    9.81    --  111.00 -61.00 -60.00   89
 74  ω     83.00 110.00   1.00    9.81    --  111.00  63.00-133.47   27
 75  ω     87.00 177.00   1.00    9.81    --  111.00  45.00   0.00   90
 76  ω     30.00 109.00   1.00    9.81    --  111.00 -94.00-180.00   79
 77  ω     83.00 114.00   1.00    9.81    --  111.00  61.00  30.00   31
 78  ω     39.00 121.00   1.00    9.81    --  111.00-125.00-180.00   82
 79  ω     83.00 109.00   1.00    9.81    --  111.00  63.00 -81.94   26
 80  ω     33.00  94.00   1.00    9.81    --  111.00 -94.00-120.00   61
 81  ω     82.00 108.00   1.00    9.81    --  111.00  66.00 142.78   26
 82  ω     86.00 112.00   1.00    9.81    --  111.00  49.00 -96.59   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1161940000
_diffrn_orient_matrix_UB_12      -0.0437785000
_diffrn_orient_matrix_UB_13      -0.0263889000
_diffrn_orient_matrix_UB_21      -0.0124638000
_diffrn_orient_matrix_UB_22      -0.0597880000
_diffrn_orient_matrix_UB_23      0.0349363000
_diffrn_orient_matrix_UB_31      -0.0358310000
_diffrn_orient_matrix_UB_32      0.0567956000
_diffrn_orient_matrix_UB_33      0.0452252000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                21891
_reflns_number_total             22176
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     71.98
_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 1.171.39.15e (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.15e (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.15e (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 (Sheldrick, 2015)'
_refine_diff_density_max         2.828
_refine_diff_density_min         -2.246
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       0.00027(2)
_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   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1214
_refine_ls_number_reflns         22176
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0549
_refine_ls_restrained_S_all      1.103
_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)+(0.0527P)²+37.8201P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1342
_refine_ls_wR_factor_ref         0.1345
_refine_special_details          'Disorder of all ether molecules (50:50).'
_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
Uiso(C106) = Uiso(C126)
Uiso(C105) = Uiso(C125)
Uiso(O2) = Uiso(O2B)
Uiso(C107) = Uiso(C127)
Uiso(C128) = Uiso(C108)
Uiso(C102) = Uiso(C122)
Uiso(C101) = Uiso(C121)
Uiso(O1) = Uiso(O1B)
Uiso(C103) = Uiso(C123)
Uiso(C104) = Uiso(C124)
Uiso(O3) = Uiso(O3B)
Uiso(C129) = Uiso(C111)
Uiso(C112) = Uiso(C130)
Uiso(C131) = Uiso(C109)
Uiso(C110) = Uiso(C132)
Uiso(C140) = Uiso(C114)
Uiso(C113) = Uiso(C139)
Uiso(O4) = Uiso(O5B)
Uiso(C115) = Uiso(C137)
Uiso(C116) = Uiso(C138)
3. Others
 Fixed Sof: O1(0.5) O1B(0.5) O2(0.5) O2B(0.5) O3(0.5) O3B(0.5) O4(0.5)
 O4B(0.5) O5(0.5) O5B(0.5) C101(0.5) H10D(0.5) H10E(0.5) C102(0.5) H10F(0.5)
 H10G(0.5) H10H(0.5) C103(0.5) H10I(0.5) H10J(0.5) C104(0.5) H10K(0.5)
 H10L(0.5) H10M(0.5) C105(0.5) H10N(0.5) H10O(0.5) C106(0.5) H10P(0.5)
 H10Q(0.5) H10R(0.5) C107(0.5) H10S(0.5) H10T(0.5) C108(0.5) H10U(0.5)
 H10V(0.5) H10W(0.5) C109(0.5) H10X(0.5) H10Y(0.5) C110(0.5) H11A(0.5)
 H11B(0.5) H11C(0.5) C111(0.5) H11D(0.5) H11E(0.5) C112(0.5) H11F(0.5)
 H11G(0.5) H11H(0.5) C113(0.5) H11I(0.5) H11J(0.5) C114(0.5) H11K(0.5)
 H11L(0.5) H11M(0.5) C115(0.5) H11N(0.5) H11O(0.5) C116(0.5) H11P(0.5)
 H11Q(0.5) H11R(0.5) C117(0.5) H11S(0.5) H11T(0.5) C118(0.5) H11U(0.5)
 H11V(0.5) H11W(0.5) C119(0.5) H11X(0.5) H11Y(0.5) C120(0.5) H12W(0.5)
 H12X(0.5) H12Y(0.5) C121(0.5) H12A(0.5) H12B(0.5) C122(0.5) H12C(0.5)
 H12D(0.5) H12E(0.5) C123(0.5) H12F(0.5) H12G(0.5) C124(0.5) H12H(0.5)
 H12I(0.5) H12J(0.5) C125(0.5) H12K(0.5) H12L(0.5) C126(0.5) H12M(0.5)
 H12N(0.5) H12O(0.5) C127(0.5) H12P(0.5) H12Q(0.5) C128(0.5) H12R(0.5)
 H12S(0.5) H12T(0.5) C129(0.5) H12U(0.5) H12V(0.5) C130(0.5) H13A(0.5)
 H13B(0.5) H13C(0.5) C131(0.5) H13D(0.5) H13E(0.5) C132(0.5) H13F(0.5)
 H13G(0.5) H13H(0.5) C133(0.5) H13I(0.5) H13J(0.5) C134(0.5) H13K(0.5)
 H13L(0.5) H13M(0.5) C135(0.5) H13N(0.5) H13O(0.5) C136(0.5) H13P(0.5)
 H13Q(0.5) H13R(0.5) C137(0.5) H13S(0.5) H13T(0.5) C138(0.5) H13U(0.5)
 H13V(0.5) H13W(0.5) C139(0.5) H13X(0.5) H13Y(0.5) C140(0.5) H14D(0.5)
 H14E(0.5) H14F(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C101(H10D,H10E), C103(H10I,H10J), C105(H10N,H10O), C107(H10S,H10T), C109(H10X,
 H10Y), C111(H11D,H11E), C113(H11I,H11J), C115(H11N,H11O), C117(H11S,H11T),
 C119(H11X,H11Y), C121(H12A,H12B), C123(H12F,H12G), C125(H12K,H12L), C127(H12P,
 H12Q), C129(H12U,H12V), C131(H13D,H13E), C133(H13I,H13J), C135(H13N,H13O),
 C137(H13S,H13T), C139(H13X,H13Y)
4.b Me refined with riding coordinates:
 C102(H10F,H10G,H10H), C104(H10K,H10L,H10M), C106(H10P,H10Q,H10R), C108(H10U,
 H10V,H10W), C110(H11A,H11B,H11C), C112(H11F,H11G,H11H), C114(H11K,H11L,H11M),
 C116(H11P,H11Q,H11R), C118(H11U,H11V,H11W), C120(H12W,H12X,H12Y), C122(H12C,
 H12D,H12E), C124(H12H,H12I,H12J), C126(H12M,H12N,H12O), C128(H12R,H12S,H12T),
 C130(H13A,H13B,H13C), C132(H13F,H13G,H13H), C134(H13K,H13L,H13M), C136(H13P,
 H13Q,H13R), C138(H13U,H13V,H13W), C140(H14D,H14E,H14F)
4.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C10(H10), C12(H12), C19(H19), C21(H21), C29(H29),
 C30(H30), C31(H31), C35(H35), C37(H37), C44(H44), C46(H46), C54(H54), C55(H55),
  C56(H56), C60(H60), C62(H62), C69(H69), C71(H71), C79(H79), C80(H80),
 C81(H81), C85(H85), C87(H87), C94(H94), C96(H96)
4.d Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C23(H23A,H23B,
 H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C39(H39A,H39B,H39C), C40(H40A,
 H40B,H40C), C41(H41A,H41B,H41C), C48(H48A,H48B,H48C), C49(H49A,H49B,H49C),
 C50(H50A,H50B,H50C), C64(H64A,H64B,H64C), C65(H65A,H65B,H65C), C66(H66A,H66B,
 H66C), C73(H73A,H73B,H73C), C74(H74A,H74B,H74C), C75(H75A,H75B,H75C), C89(H89A,
 H89B,H89C), C90(H90A,H90B,H90C), C91(H91A,H91B,H91C), C98(H98A,H98B,H98C),
 C99(H99A,H99B,H99C), C100(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.39586(2) 0.41952(2) 0.67827(2) 0.01346(8) Uani 1 1 d . . . . .
Ag2 Ag 0.24448(2) 0.39986(2) 0.75340(2) 0.01265(8) Uani 1 1 d . . . . .
Ag3 Ag 0.39143(2) 0.29750(2) 0.75411(2) 0.01301(8) Uani 1 1 d . . . . .
Ag4 Ag 0.20060(2) 0.21974(2) 0.68024(2) 0.01474(8) Uani 1 1 d . . . . .
S1 S 0.25418(8) 0.37886(6) 0.60387(4) 0.0132(2) Uani 1 1 d . . . . .
S2 S 0.09632(9) 0.36048(9) 0.68530(5) 0.0276(3) Uani 1 1 d . . . . .
S3 S 0.52102(9) 0.53083(6) 0.74820(4) 0.0164(2) Uani 1 1 d . . . . .
S4 S 0.38929(9) 0.45259(7) 0.82575(4) 0.0177(2) Uani 1 1 d . . . . .
S5 S 0.49372(8) 0.30526(6) 0.67882(4) 0.01084(19) Uani 1 1 d . . . . .
S6 S 0.29287(8) 0.19821(6) 0.60224(4) 0.01020(19) Uani 1 1 d . . . . .
S7 S 0.30806(9) 0.24793(7) 0.82631(4) 0.0200(2) Uani 1 1 d . . . . .
S8 S 0.10016(9) 0.18956(9) 0.75170(5) 0.0245(3) Uani 1 1 d . . . . .
C1 C 0.1340(3) 0.3632(2) 0.62355(17) 0.0111(8) Uani 1 1 d . . . . .
C2 C 0.0456(3) 0.3481(2) 0.57902(16) 0.0093(8) Uani 1 1 d . . . . .
C3 C -0.0332(3) 0.2712(2) 0.55994(17) 0.0115(8) Uani 1 1 d . . . . .
C4 C -0.1124(3) 0.2583(3) 0.51804(18) 0.0141(8) Uani 1 1 d . . . . .
H4 H -0.164843 0.207771 0.505473 0.017 Uiso 1 1 calc R . . . .
C5 C -0.1144(4) 0.3196(3) 0.49473(18) 0.0163(9) Uani 1 1 d . . . . .
H5 H -0.167037 0.309803 0.466385 0.020 Uiso 1 1 calc R . . . .
C6 C -0.0373(4) 0.3954(3) 0.51400(18) 0.0156(9) Uani 1 1 d . . . . .
H6 H -0.039345 0.436589 0.498722 0.019 Uiso 1 1 calc R . . . .
C7 C 0.0434(3) 0.4109(3) 0.55600(17) 0.0121(8) Uani 1 1 d . . . . .
C8 C -0.0324(3) 0.2002(2) 0.57970(17) 0.0120(8) Uani 1 1 d . . . . .
C9 C -0.0946(3) 0.1784(3) 0.61977(18) 0.0142(9) Uani 1 1 d . . . . .
C10 C -0.0892(4) 0.1126(3) 0.63798(18) 0.0164(9) Uani 1 1 d . . . . .
H10 H -0.128786 0.098803 0.665321 0.020 Uiso 1 1 calc R . . . .
C11 C -0.0260(4) 0.0672(3) 0.61601(18) 0.0182(9) Uani 1 1 d . . . . .
C12 C 0.0303(4) 0.0873(3) 0.57422(18) 0.0161(9) Uani 1 1 d . . . . .
H12 H 0.070981 0.056449 0.558383 0.019 Uiso 1 1 calc R . . . .
C13 C 0.0272(3) 0.1529(3) 0.55548(18) 0.0145(9) Uani 1 1 d . . . . .
C14 C -0.1674(4) 0.2237(3) 0.6427(2) 0.0218(10) Uani 1 1 d . . . . .
H14A H -0.127632 0.280358 0.656744 0.033 Uiso 1 1 calc GR . . . .
H14B H -0.198954 0.203400 0.671574 0.033 Uiso 1 1 calc GR . . . .
H14C H -0.222174 0.216148 0.614303 0.033 Uiso 1 1 calc GR . . . .
C15 C -0.0195(5) -0.0027(3) 0.6372(2) 0.0289(12) Uani 1 1 d . . . . .
H15A H 0.049280 0.011827 0.657372 0.043 Uiso 1 1 calc GR . . . .
H15B H -0.030515 -0.049679 0.606919 0.043 Uiso 1 1 calc GR . . . .
H15C H -0.073040 -0.014467 0.660598 0.043 Uiso 1 1 calc GR . . . .
C16 C 0.0853(4) 0.1705(3) 0.50799(18) 0.0173(9) Uani 1 1 d . . . . .
H16A H 0.035526 0.167525 0.478638 0.026 Uiso 1 1 calc GR . . . .
H16B H 0.120055 0.131322 0.495710 0.026 Uiso 1 1 calc GR . . . .
H16C H 0.137217 0.223841 0.519495 0.026 Uiso 1 1 calc GR . . . .
C17 C 0.1254(3) 0.4942(2) 0.57551(17) 0.0117(8) Uani 1 1 d . . . . .
C18 C 0.2111(3) 0.5155(3) 0.54607(18) 0.0134(8) Uani 1 1 d . . . . .
C19 C 0.2907(4) 0.5907(3) 0.56685(19) 0.0169(9) Uani 1 1 d . . . . .
H19 H 0.349078 0.604103 0.548257 0.020 Uiso 1 1 calc R . . . .
C20 C 0.2850(4) 0.6462(3) 0.61456(19) 0.0181(9) Uani 1 1 d . . . . .
C21 C 0.1957(4) 0.6255(3) 0.64094(19) 0.0208(10) Uani 1 1 d . . . . .
H21 H 0.189096 0.662942 0.671938 0.025 Uiso 1 1 calc R . . . .
C22 C 0.1160(4) 0.5506(3) 0.62227(19) 0.0178(9) Uani 1 1 d . . . . .
C23 C 0.2178(4) 0.4602(3) 0.49247(19) 0.0194(9) Uani 1 1 d . . . . .
H23A H 0.204105 0.406387 0.496012 0.029 Uiso 1 1 calc GR . . . .
H23B H 0.287460 0.479399 0.482279 0.029 Uiso 1 1 calc GR . . . .
H23C H 0.166061 0.459363 0.464857 0.029 Uiso 1 1 calc GR . . . .
C24 C 0.3728(5) 0.7269(3) 0.6368(2) 0.0302(12) Uani 1 1 d . . . . .
H24A H 0.423836 0.721732 0.662014 0.045 Uiso 1 1 calc GR . . . .
H24B H 0.343309 0.766858 0.655208 0.045 Uiso 1 1 calc GR . . . .
H24C H 0.406812 0.743174 0.607177 0.045 Uiso 1 1 calc GR . . . .
C25 C 0.0191(4) 0.5320(3) 0.6514(2) 0.0269(11) Uani 1 1 d . . . . .
H25A H -0.042135 0.526786 0.627812 0.040 Uiso 1 1 calc GR . . . .
H25B H 0.028731 0.575288 0.684007 0.040 Uiso 1 1 calc GR . . . .
H25C H 0.009026 0.482280 0.660827 0.040 Uiso 1 1 calc GR . . . .
C26 C 0.4954(4) 0.5189(2) 0.80926(17) 0.0123(8) Uani 1 1 d . . . . .
C27 C 0.5796(3) 0.5725(3) 0.85642(17) 0.0123(8) Uani 1 1 d . . . . .
C28 C 0.5886(4) 0.6548(3) 0.87682(18) 0.0162(9) Uani 1 1 d . . . . .
C29 C 0.6713(4) 0.7050(3) 0.91826(19) 0.0208(10) Uani 1 1 d . . . . .
H29 H 0.679293 0.759582 0.931632 0.025 Uiso 1 1 calc R . . . .
C30 C 0.7417(4) 0.6740(3) 0.9397(2) 0.0249(11) Uani 1 1 d . . . . .
H30 H 0.797382 0.708179 0.966563 0.030 Uiso 1 1 calc R . . . .
C31 C 0.7288(4) 0.5928(3) 0.92098(19) 0.0210(10) Uani 1 1 d . . . . .
H31 H 0.774940 0.572353 0.936372 0.025 Uiso 1 1 calc R . . . .
C32 C 0.6480(4) 0.5405(3) 0.87937(18) 0.0147(9) Uani 1 1 d . . . . .
C33 C 0.5063(4) 0.6859(3) 0.85820(18) 0.0170(9) Uani 1 1 d . . . . .
C34 C 0.4134(4) 0.6740(3) 0.8830(2) 0.0215(10) Uani 1 1 d . . . . .
C35 C 0.3319(5) 0.6977(3) 0.8641(2) 0.0292(12) Uani 1 1 d . . . . .
H35 H 0.269970 0.689536 0.880469 0.035 Uiso 1 1 calc R . . . .
C36 C 0.3417(5) 0.7334(3) 0.8214(2) 0.0324(13) Uani 1 1 d . . . . .
C37 C 0.4360(5) 0.7486(3) 0.7995(2) 0.0283(12) Uani 1 1 d . . . . .
H37 H 0.444178 0.774505 0.772009 0.034 Uiso 1 1 calc R . . . .
C38 C 0.5199(4) 0.7264(3) 0.81736(19) 0.0224(10) Uani 1 1 d . . . . .
C39 C 0.4013(4) 0.6385(3) 0.9310(2) 0.0266(11) Uani 1 1 d . . . . .
H39A H 0.408410 0.585707 0.920536 0.040 Uiso 1 1 calc GR . . . .
H39B H 0.332551 0.634067 0.942249 0.040 Uiso 1 1 calc GR . . . .
H39C H 0.455150 0.673112 0.960788 0.040 Uiso 1 1 calc GR . . . .
C40 C 0.2502(6) 0.7551(5) 0.8001(3) 0.0498(18) Uani 1 1 d . . . . .
H40A H 0.186333 0.709189 0.792846 0.075 Uiso 1 1 calc GR . . . .
H40B H 0.264926 0.770263 0.767066 0.075 Uiso 1 1 calc GR . . . .
H40C H 0.241417 0.799664 0.827033 0.075 Uiso 1 1 calc GR . . . .
C41 C 0.6228(5) 0.7468(3) 0.7936(2) 0.0305(12) Uani 1 1 d . . . . .
H41A H 0.678565 0.783869 0.821714 0.046 Uiso 1 1 calc GR . . . .
H41B H 0.616192 0.771364 0.764959 0.046 Uiso 1 1 calc GR . . . .
H41C H 0.639171 0.698165 0.779085 0.046 Uiso 1 1 calc GR . . . .
C42 C 0.6335(3) 0.4520(3) 0.86174(17) 0.0139(8) Uani 1 1 d . . . . .
C43 C 0.5769(4) 0.4017(3) 0.89219(18) 0.0164(9) Uani 1 1 d . . . . .
C44 C 0.5583(4) 0.3184(3) 0.8740(2) 0.0190(9) Uani 1 1 d . . . . .
H44 H 0.521546 0.285250 0.894342 0.023 Uiso 1 1 calc R . . . .
C45 C 0.5933(4) 0.2834(3) 0.8262(2) 0.0206(10) Uani 1 1 d . . . . .
C46 C 0.6527(4) 0.3346(3) 0.79845(19) 0.0200(10) Uani 1 1 d . . . . .
H46 H 0.678937 0.312485 0.767328 0.024 Uiso 1 1 calc R . . . .
C47 C 0.6750(4) 0.4190(3) 0.81556(18) 0.0176(9) Uani 1 1 d . . . . .
C48 C 0.5347(4) 0.4351(3) 0.94322(19) 0.0238(10) Uani 1 1 d . . . . .
H48A H 0.592903 0.468861 0.971046 0.036 Uiso 1 1 calc GR . . . .
H48B H 0.491456 0.391250 0.955671 0.036 Uiso 1 1 calc GR . . . .
H48C H 0.492861 0.466654 0.935541 0.036 Uiso 1 1 calc GR . . . .
C49 C 0.5663(5) 0.1930(3) 0.8058(2) 0.0322(13) Uani 1 1 d . . . . .
H49A H 0.560621 0.170432 0.836353 0.048 Uiso 1 1 calc GR . . . .
H49B H 0.621146 0.180668 0.785946 0.048 Uiso 1 1 calc GR . . . .
H49C H 0.499974 0.170050 0.782257 0.048 Uiso 1 1 calc GR . . . .
C50 C 0.7430(5) 0.4710(3) 0.7845(2) 0.0272(11) Uani 1 1 d . . . . .
H50A H 0.699822 0.490857 0.764416 0.041 Uiso 1 1 calc GR . . . .
H50B H 0.776078 0.439560 0.759645 0.041 Uiso 1 1 calc GR . . . .
H50C H 0.796598 0.515905 0.809654 0.041 Uiso 1 1 calc GR . . . .
C51 C 0.4239(3) 0.2401(2) 0.61870(16) 0.0083(8) Uani 1 1 d . . . . .
C52 C 0.4891(3) 0.2181(2) 0.57399(16) 0.0086(8) Uani 1 1 d . . . . .
C53 C 0.4784(3) 0.1362(3) 0.55106(17) 0.0114(8) Uani 1 1 d . . . . .
C54 C 0.5371(4) 0.1165(3) 0.50885(18) 0.0157(9) Uani 1 1 d . . . . .
H54 H 0.530664 0.062521 0.493636 0.019 Uiso 1 1 calc R . . . .
C55 C 0.6045(4) 0.1758(3) 0.48929(18) 0.0162(9) Uani 1 1 d . . . . .
H55 H 0.642075 0.161662 0.460757 0.019 Uiso 1 1 calc R . . . .
C56 C 0.6158(4) 0.2564(3) 0.51249(18) 0.0135(8) Uani 1 1 d . . . . .
H56 H 0.661947 0.296200 0.499671 0.016 Uiso 1 1 calc R . . . .
C57 C 0.5589(3) 0.2790(2) 0.55481(16) 0.0092(8) Uani 1 1 d . . . . .
C58 C 0.4080(4) 0.0694(2) 0.57108(17) 0.0118(8) Uani 1 1 d . . . . .
C59 C 0.4415(4) 0.0551(3) 0.61936(18) 0.0155(9) Uani 1 1 d . . . . .
C60 C 0.3725(4) -0.0054(3) 0.6382(2) 0.0199(10) Uani 1 1 d . . . . .
H60 H 0.394683 -0.015053 0.670174 0.024 Uiso 1 1 calc R . . . .
C61 C 0.2718(4) -0.0515(3) 0.6108(2) 0.0210(10) Uani 1 1 d . . . . .
C62 C 0.2419(4) -0.0383(3) 0.56193(19) 0.0178(9) Uani 1 1 d . . . . .
H62 H 0.175133 -0.069335 0.542700 0.021 Uiso 1 1 calc R . . . .
C63 C 0.3088(4) 0.0199(3) 0.54110(18) 0.0146(9) Uani 1 1 d . . . . .
C64 C 0.5512(4) 0.1021(3) 0.6494(2) 0.0234(10) Uani 1 1 d . . . . .
H64A H 0.602801 0.095820 0.625183 0.035 Uiso 1 1 calc GR . . . .
H64B H 0.562272 0.082104 0.679901 0.035 Uiso 1 1 calc GR . . . .
H64C H 0.558504 0.158433 0.662351 0.035 Uiso 1 1 calc GR . . . .
C65 C 0.1973(5) -0.1154(3) 0.6324(2) 0.0319(13) Uani 1 1 d . . . . .
H65A H 0.237542 -0.133154 0.655721 0.048 Uiso 1 1 calc GR . . . .
H65B H 0.157126 -0.160705 0.602379 0.048 Uiso 1 1 calc GR . . . .
H65C H 0.149728 -0.093103 0.652866 0.048 Uiso 1 1 calc GR . . . .
C66 C 0.2737(4) 0.0293(3) 0.48665(19) 0.0199(10) Uani 1 1 d . . . . .
H66A H 0.286514 0.085607 0.489795 0.030 Uiso 1 1 calc GR . . . .
H66B H 0.199388 -0.000266 0.476124 0.030 Uiso 1 1 calc GR . . . .
H66C H 0.313086 0.008498 0.459488 0.030 Uiso 1 1 calc GR . . . .
C67 C 0.5712(3) 0.3667(2) 0.57505(17) 0.0103(8) Uani 1 1 d . . . . .
C68 C 0.4964(4) 0.3948(3) 0.55355(18) 0.0130(8) Uani 1 1 d . . . . .
C69 C 0.5045(4) 0.4762(3) 0.57424(18) 0.0175(9) Uani 1 1 d . . . . .
H69 H 0.453964 0.494690 0.560772 0.021 Uiso 1 1 calc R . . . .
C70 C 0.5860(4) 0.5299(3) 0.61434(19) 0.0189(10) Uani 1 1 d . . . . .
C71 C 0.6630(4) 0.5018(3) 0.63293(18) 0.0180(9) Uani 1 1 d . . . . .
H71 H 0.719231 0.537591 0.658991 0.022 Uiso 1 1 calc R . . . .
C72 C 0.6575(3) 0.4207(3) 0.61315(17) 0.0128(8) Uani 1 1 d . . . . .
C73 C 0.4104(4) 0.3391(3) 0.50749(18) 0.0162(9) Uani 1 1 d . . . . .
H73A H 0.442265 0.317326 0.476954 0.024 Uiso 1 1 calc GR . . . .
H73B H 0.369101 0.368988 0.496653 0.024 Uiso 1 1 calc GR . . . .
H73C H 0.365289 0.295562 0.519617 0.024 Uiso 1 1 calc GR . . . .
C74 C 0.5919(5) 0.6169(3) 0.6373(2) 0.0321(13) Uani 1 1 d . . . . .
H74A H 0.596814 0.642562 0.608306 0.048 Uiso 1 1 calc GR . . . .
H74B H 0.653261 0.645064 0.664185 0.048 Uiso 1 1 calc GR . . . .
H74C H 0.529196 0.618446 0.653873 0.048 Uiso 1 1 calc GR . . . .
C75 C 0.7428(4) 0.3922(3) 0.63290(19) 0.0188(9) Uani 1 1 d . . . . .
H75A H 0.710866 0.345854 0.645885 0.028 Uiso 1 1 calc GR . . . .
H75B H 0.790495 0.434887 0.662059 0.028 Uiso 1 1 calc GR . . . .
H75C H 0.781288 0.377582 0.603335 0.028 Uiso 1 1 calc GR . . . .
C76 C 0.1760(4) 0.2101(3) 0.81148(17) 0.0137(9) Uani 1 1 d . . . . .
C77 C 0.1153(4) 0.1913(3) 0.85720(17) 0.0162(9) Uani 1 1 d . . . . .
C78 C 0.0517(4) 0.2371(3) 0.87859(18) 0.0207(10) Uani 1 1 d . . . . .
C79 C -0.0081(4) 0.2174(4) 0.9204(2) 0.0293(12) Uani 1 1 d . . . . .
H79 H -0.051026 0.247071 0.934851 0.035 Uiso 1 1 calc R . . . .
C80 C -0.0025(5) 0.1532(4) 0.9398(2) 0.0382(15) Uani 1 1 d . . . . .
H80 H -0.042983 0.139506 0.966902 0.046 Uiso 1 1 calc R . . . .
C81 C 0.0619(5) 0.1099(3) 0.9196(2) 0.0309(13) Uani 1 1 d . . . . .
H81 H 0.064785 0.067409 0.933343 0.037 Uiso 1 1 calc R . . . .
C82 C 0.1234(4) 0.1285(3) 0.87878(19) 0.0219(10) Uani 1 1 d . . . . .
C83 C 0.0498(4) 0.3094(3) 0.86028(19) 0.0204(10) Uani 1 1 d . . . . .
C84 C -0.0342(4) 0.3040(3) 0.8227(2) 0.0270(11) Uani 1 1 d . . . . .
C85 C -0.0298(4) 0.3714(4) 0.8046(2) 0.0315(12) Uani 1 1 d . . . . .
H85 H -0.084627 0.367788 0.779441 0.038 Uiso 1 1 calc R . . . .
C86 C 0.0539(5) 0.4434(3) 0.8231(2) 0.0277(11) Uani 1 1 d . . . . .
C87 C 0.1335(4) 0.4486(3) 0.8620(2) 0.0235(10) Uani 1 1 d . . . . .
H87 H 0.189239 0.497181 0.875380 0.028 Uiso 1 1 calc R . . . .
C88 C 0.1321(4) 0.3828(3) 0.88160(18) 0.0194(10) Uani 1 1 d . . . . .
C89 C -0.1282(4) 0.2267(4) 0.8021(3) 0.0351(13) Uani 1 1 d . . . . .
H89A H -0.103420 0.182151 0.787495 0.053 Uiso 1 1 calc GR . . . .
H89B H -0.173184 0.232067 0.773928 0.053 Uiso 1 1 calc GR . . . .
H89C H -0.167508 0.216764 0.831655 0.053 Uiso 1 1 calc GR . . . .
C90 C 0.0567(6) 0.5155(4) 0.8027(3) 0.0405(15) Uani 1 1 d . . . . .
H90A H 0.018787 0.496989 0.766467 0.061 Uiso 1 1 calc GR . . . .
H90B H 0.129035 0.546776 0.802018 0.061 Uiso 1 1 calc GR . . . .
H90C H 0.024104 0.548619 0.826576 0.061 Uiso 1 1 calc GR . . . .
C91 C 0.2174(4) 0.3929(3) 0.9262(2) 0.0258(11) Uani 1 1 d . . . . .
H91A H 0.185392 0.381281 0.957478 0.039 Uiso 1 1 calc GR . . . .
H91B H 0.265688 0.447613 0.936275 0.039 Uiso 1 1 calc GR . . . .
H91C H 0.255452 0.356244 0.913178 0.039 Uiso 1 1 calc GR . . . .
C92 C 0.1970(5) 0.0828(3) 0.86055(19) 0.0247(11) Uani 1 1 d . . . . .
C93 C 0.2952(5) 0.1046(3) 0.8929(2) 0.0260(11) Uani 1 1 d . . . . .
C94 C 0.3667(6) 0.0642(3) 0.8752(2) 0.0367(14) Uani 1 1 d . . . . .
H94 H 0.431591 0.078452 0.896464 0.044 Uiso 1 1 calc R . . . .
C95 C 0.3420(7) 0.0029(4) 0.8261(3) 0.0491(19) Uani 1 1 d . . . . .
C96 C 0.2439(8) -0.0194(4) 0.7964(2) 0.054(2) Uani 1 1 d . . . . .
H96 H 0.226202 -0.061489 0.764327 0.065 Uiso 1 1 calc R . . . .
C97 C 0.1698(6) 0.0188(3) 0.8127(2) 0.0409(17) Uani 1 1 d . . . . .
C98 C 0.3256(5) 0.1710(3) 0.9454(2) 0.0273(11) Uani 1 1 d . . . . .
H98A H 0.319667 0.219559 0.938831 0.041 Uiso 1 1 calc GR . . . .
H98B H 0.397472 0.180643 0.959707 0.041 Uiso 1 1 calc GR . . . .
H98C H 0.279181 0.155258 0.971266 0.041 Uiso 1 1 calc GR . . . .
C99 C 0.4231(9) -0.0369(5) 0.8064(4) 0.071(3) Uani 1 1 d . . . . .
H99A H 0.484119 0.002645 0.799509 0.107 Uiso 1 1 calc GR . . . .
H99B H 0.392497 -0.079641 0.773355 0.107 Uiso 1 1 calc GR . . . .
H99C H 0.443921 -0.058977 0.833909 0.107 Uiso 1 1 calc GR . . . .
C100 C 0.0615(8) -0.0107(4) 0.7802(3) 0.060(2) Uani 1 1 d . . . . .
H10A H 0.009389 -0.035990 0.800773 0.090 Uiso 1 1 calc GR . . . .
H10B H 0.060085 -0.049381 0.746372 0.090 Uiso 1 1 calc GR . . . .
H10C H 0.045853 0.034298 0.772845 0.090 Uiso 1 1 calc GR . . . .
O1 O 0.9110(8) 0.7091(6) 0.7093(4) 0.0387(15) Uiso 0.5 1 d . . P A 1
O1B O 0.8803(8) 0.7150(6) 0.7000(4) 0.0387(15) Uiso 0.5 1 d . . P B 2
O2 O 0.1560(8) 0.6407(6) 0.9848(4) 0.0450(16) Uiso 0.5 1 d . . P C 1
O2B O 0.0954(8) 0.6370(6) 0.9975(4) 0.0450(16) Uiso 0.5 1 d . . P D 2
O3 O 0.7242(11) 0.9270(8) 0.7107(6) 0.0459(17) Uiso 0.5 1 d . . P E 1
O3B O 0.7153(11) 0.9367(8) 0.7024(6) 0.0459(17) Uiso 0.5 1 d . . P F 2
O4 O 0.0435(6) 0.9089(5) 0.9361(3) 0.0317(12) Uiso 0.5 1 d . . P G 1
O4B O 0.2469(7) 0.8692(6) 0.9958(4) 0.042(2) Uiso 0.5 1 d . . P H 2
O5 O 0.6026(8) 1.0509(6) 0.9395(4) 0.044(2) Uiso 0.5 1 d . . P I 1
O5B O 0.7159(6) 0.9062(5) 0.9338(3) 0.0317(12) Uiso 0.5 1 d . . P J 2
C101 C 0.9400(12) 0.7625(9) 0.6777(6) 0.044(2) Uiso 0.5 1 d . . P A 1
H10D H 1.014511 0.794652 0.687807 0.052 Uiso 0.5 1 calc R . P A 1
H10E H 0.898931 0.798945 0.683832 0.052 Uiso 0.5 1 calc R . P A 1
C102 C 0.9202(15) 0.7156(11) 0.6189(7) 0.060(3) Uiso 0.5 1 d . . P A 1
H10F H 0.940243 0.752327 0.596792 0.090 Uiso 0.5 1 calc R . P A 1
H10G H 0.961523 0.679951 0.613034 0.090 Uiso 0.5 1 calc R . P A 1
H10H H 0.846283 0.684231 0.609071 0.090 Uiso 0.5 1 calc R . P A 1
C103 C 0.9253(14) 0.7467(11) 0.7644(8) 0.045(2) Uiso 0.5 1 d . . P A 1
H10I H 0.886577 0.784755 0.771115 0.054 Uiso 0.5 1 calc R . P A 1
H10J H 1.000005 0.777277 0.776132 0.054 Uiso 0.5 1 calc R . P A 1
C104 C 0.8898(18) 0.6898(14) 0.7970(9) 0.067(4) Uiso 0.5 1 d . . P A 1
H10K H 0.901549 0.719046 0.834969 0.100 Uiso 0.5 1 calc R . P A 1
H10L H 0.815508 0.660135 0.786172 0.100 Uiso 0.5 1 calc R . P A 1
H10M H 0.928956 0.652657 0.791189 0.100 Uiso 0.5 1 calc R . P A 1
C105 C 0.0586(14) 0.6163(11) 0.9569(8) 0.056(3) Uiso 0.5 1 d . . P C 1
H10N H 0.006649 0.603536 0.981512 0.067 Uiso 0.5 1 calc R . P C 1
H10O H 0.049013 0.566779 0.928355 0.067 Uiso 0.5 1 calc R . P C 1
C106 C 0.0373(14) 0.6743(9) 0.9323(7) 0.036(2) Uiso 0.5 1 d . . P C 1
H10P H -0.033636 0.652091 0.913269 0.054 Uiso 0.5 1 calc R . P C 1
H10Q H 0.044379 0.723103 0.960184 0.054 Uiso 0.5 1 calc R . P C 1
H10R H 0.086821 0.686279 0.906929 0.054 Uiso 0.5 1 calc R . P C 1
C107 C 0.1694(15) 0.5836(11) 1.0148(7) 0.060(3) Uiso 0.5 1 d . . P C 1
H10S H 0.243446 0.587441 1.017295 0.072 Uiso 0.5 1 calc R . P C 1
H10T H 0.128658 0.529160 0.992935 0.072 Uiso 0.5 1 calc R . P C 1
C108 C 0.1363(14) 0.5943(10) 1.0742(7) 0.050(3) Uiso 0.5 1 d . . P C 1
H10U H 0.148838 0.553654 1.089027 0.075 Uiso 0.5 1 calc R . P C 1
H10V H 0.177642 0.647080 1.097014 0.075 Uiso 0.5 1 calc R . P C 1
H10W H 0.062379 0.588557 1.072554 0.075 Uiso 0.5 1 calc R . P C 1
C109 C 0.6422(16) 0.9109(12) 0.6691(8) 0.060(3) Uiso 0.5 1 d . . P E 1
H10X H 0.644551 0.961346 0.661541 0.072 Uiso 0.5 1 calc R . P E 1
H10Y H 0.574643 0.889394 0.681811 0.072 Uiso 0.5 1 calc R . P E 1
C110 C 0.6483(16) 0.8521(13) 0.6174(9) 0.055(3) Uiso 0.5 1 d . . P E 1
H11A H 0.590358 0.843480 0.590490 0.083 Uiso 0.5 1 calc R . P E 1
H11B H 0.714228 0.873518 0.604090 0.083 Uiso 0.5 1 calc R . P E 1
H11C H 0.644288 0.801533 0.624369 0.083 Uiso 0.5 1 calc R . P E 1
C111 C 0.7177(14) 0.9738(11) 0.7619(7) 0.058(3) Uiso 0.5 1 d . . P E 1
H11D H 0.655058 0.944306 0.775306 0.070 Uiso 0.5 1 calc R . P E 1
H11E H 0.707633 1.023012 0.757709 0.070 Uiso 0.5 1 calc R . P E 1
C112 C 0.8045(15) 0.9954(12) 0.8013(8) 0.065(3) Uiso 0.5 1 d . . P E 1
H11F H 0.792376 1.027508 0.834971 0.097 Uiso 0.5 1 calc R . P E 1
H11G H 0.814221 0.947378 0.806853 0.097 Uiso 0.5 1 calc R . P E 1
H11H H 0.866932 1.026288 0.789211 0.097 Uiso 0.5 1 calc R . P E 1
C113 C -0.0537(10) 0.8864(8) 0.9039(5) 0.0375(19) Uiso 0.5 1 d . . P G 1
H11I H -0.080901 0.828067 0.888512 0.045 Uiso 0.5 1 calc R . P G 1
H11J H -0.044527 0.911182 0.873989 0.045 Uiso 0.5 1 calc R . P G 1
C114 C -0.1330(12) 0.9143(9) 0.9390(6) 0.040(2) Uiso 0.5 1 d . . P G 1
H11K H -0.199894 0.898831 0.916873 0.060 Uiso 0.5 1 calc R . P G 1
H11L H -0.142337 0.889221 0.968348 0.060 Uiso 0.5 1 calc R . P G 1
H11M H -0.106060 0.972114 0.953864 0.060 Uiso 0.5 1 calc R . P G 1
C115 C 0.1218(11) 0.8886(8) 0.9047(6) 0.040(2) Uiso 0.5 1 d . . P G 1
H11N H 0.133129 0.916333 0.876324 0.048 Uiso 0.5 1 calc R . P G 1
H11O H 0.099079 0.830686 0.887536 0.048 Uiso 0.5 1 calc R . P G 1
C116 C 0.2215(14) 0.9147(10) 0.9430(7) 0.050(3) Uiso 0.5 1 d . . P G 1
H11P H 0.276291 0.901997 0.923274 0.075 Uiso 0.5 1 calc R . P G 1
H11Q H 0.243214 0.972095 0.959700 0.075 Uiso 0.5 1 calc R . P G 1
H11R H 0.209321 0.886843 0.970859 0.075 Uiso 0.5 1 calc R . P G 1
C117 C 0.6741(13) 1.1221(10) 0.9267(7) 0.054(4) Uiso 0.5 1 d . . P I 1
H11S H 0.747266 1.126027 0.935277 0.064 Uiso 0.5 1 calc R . P I 1
H11T H 0.661064 1.117140 0.888102 0.064 Uiso 0.5 1 calc R . P I 1
C118 C 0.6558(14) 1.1946(10) 0.9589(7) 0.055(4) Uiso 0.5 1 d . . P I 1
H11U H 0.702431 1.241462 0.950691 0.082 Uiso 0.5 1 calc R . P I 1
H11V H 0.583485 1.190581 0.950033 0.082 Uiso 0.5 1 calc R . P I 1
H11W H 0.669431 1.199442 0.997069 0.082 Uiso 0.5 1 calc R . P I 1
C119 C 0.6258(13) 0.9810(10) 0.9156(7) 0.056(4) Uiso 0.5 1 d . . P I 1
H11X H 0.700293 0.989805 0.925301 0.067 Uiso 0.5 1 calc R . P I 1
H11Y H 0.611246 0.967567 0.876162 0.067 Uiso 0.5 1 calc R . P I 1
C120 C 0.5594(13) 0.9136(10) 0.9353(7) 0.046(4) Uiso 0.5 1 d . . P I 1
H12W H 0.574937 0.865161 0.919040 0.068 Uiso 0.5 1 calc R . P I 1
H12X H 0.574595 0.927158 0.974374 0.068 Uiso 0.5 1 calc R . P I 1
H12Y H 0.485822 0.904989 0.925386 0.068 Uiso 0.5 1 calc R . P I 1
C121 C 0.8992(12) 0.7750(9) 0.6726(6) 0.044(2) Uiso 0.5 1 d . . P B 2
H12A H 0.971678 0.811578 0.683700 0.052 Uiso 0.5 1 calc R . P B 2
H12B H 0.852240 0.806284 0.682683 0.052 Uiso 0.5 1 calc R . P B 2
C122 C 0.8819(15) 0.7395(11) 0.6128(7) 0.060(3) Uiso 0.5 1 d . . P B 2
H12C H 0.895407 0.782093 0.595164 0.090 Uiso 0.5 1 calc R . P B 2
H12D H 0.929126 0.709362 0.602723 0.090 Uiso 0.5 1 calc R . P B 2
H12E H 0.809815 0.704073 0.601708 0.090 Uiso 0.5 1 calc R . P B 2
C123 C 0.8973(14) 0.7451(11) 0.7577(8) 0.045(2) Uiso 0.5 1 d . . P B 2
H12F H 0.855026 0.779537 0.769801 0.054 Uiso 0.5 1 calc R . P B 2
H12G H 0.971480 0.776643 0.770159 0.054 Uiso 0.5 1 calc R . P B 2
C124 C 0.8647(18) 0.6719(13) 0.7808(9) 0.067(4) Uiso 0.5 1 d . . P B 2
H12H H 0.875277 0.690241 0.820008 0.100 Uiso 0.5 1 calc R . P B 2
H12I H 0.791171 0.641210 0.768284 0.100 Uiso 0.5 1 calc R . P B 2
H12J H 0.907111 0.638329 0.768640 0.100 Uiso 0.5 1 calc R . P B 2
C125 C 0.0178(14) 0.6247(11) 0.9576(7) 0.056(3) Uiso 0.5 1 d . . P D 2
H12K H -0.048643 0.618142 0.972780 0.067 Uiso 0.5 1 calc R . P D 2
H12L H 0.010103 0.574875 0.929765 0.067 Uiso 0.5 1 calc R . P D 2
C126 C 0.0400(14) 0.6943(9) 0.9314(7) 0.036(2) Uiso 0.5 1 d . . P D 2
H12M H -0.017236 0.682805 0.903325 0.054 Uiso 0.5 1 calc R . P D 2
H12N H 0.046269 0.743536 0.958647 0.054 Uiso 0.5 1 calc R . P D 2
H12O H 0.105006 0.700275 0.915639 0.054 Uiso 0.5 1 calc R . P D 2
C127 C 0.0910(14) 0.5800(11) 1.0210(7) 0.060(3) Uiso 0.5 1 d . . P D 2
H12P H 0.097197 0.533481 0.994209 0.072 Uiso 0.5 1 calc R . P D 2
H12Q H 0.022253 0.563330 1.033548 0.072 Uiso 0.5 1 calc R . P D 2
C128 C 0.1702(13) 0.6035(10) 1.0654(7) 0.050(3) Uiso 0.5 1 d . . P D 2
H12R H 0.162568 0.559026 1.080782 0.075 Uiso 0.5 1 calc R . P D 2
H12S H 0.238630 0.618805 1.053176 0.075 Uiso 0.5 1 calc R . P D 2
H12T H 0.163628 0.648677 1.092545 0.075 Uiso 0.5 1 calc R . P D 2
C129 C 0.7059(14) 0.9951(11) 0.7417(7) 0.058(3) Uiso 0.5 1 d . . P F 2
H12U H 0.631290 0.981216 0.746172 0.070 Uiso 0.5 1 calc R . P F 2
H12V H 0.724109 1.043233 0.728850 0.070 Uiso 0.5 1 calc R . P F 2
C130 C 0.7627(15) 1.0176(12) 0.7940(8) 0.065(3) Uiso 0.5 1 d . . P F 2
H13A H 0.745515 1.061446 0.817315 0.097 Uiso 0.5 1 calc R . P F 2
H13B H 0.743930 0.972148 0.809026 0.097 Uiso 0.5 1 calc R . P F 2
H13C H 0.837408 1.034606 0.791581 0.097 Uiso 0.5 1 calc R . P F 2
C131 C 0.6548(16) 0.9165(12) 0.6507(8) 0.060(3) Uiso 0.5 1 d . . P F 2
H13D H 0.674841 0.962269 0.635418 0.072 Uiso 0.5 1 calc R . P F 2
H13E H 0.579890 0.902525 0.654404 0.072 Uiso 0.5 1 calc R . P F 2
C132 C 0.6757(16) 0.8464(12) 0.6141(9) 0.055(3) Uiso 0.5 1 d . . P F 2
H13F H 0.635402 0.831750 0.578831 0.083 Uiso 0.5 1 calc R . P F 2
H13G H 0.749969 0.860803 0.610499 0.083 Uiso 0.5 1 calc R . P F 2
H13H H 0.655367 0.801278 0.629415 0.083 Uiso 0.5 1 calc R . P F 2
C133 C 0.2570(12) 0.8964(9) 0.9483(6) 0.042(3) Uiso 0.5 1 d . . P H 2
H13I H 0.267026 0.855079 0.918494 0.050 Uiso 0.5 1 calc R . P H 2
H13J H 0.318635 0.944913 0.954952 0.050 Uiso 0.5 1 calc R . P H 2
C134 C 0.1596(14) 0.9145(10) 0.9329(7) 0.052(4) Uiso 0.5 1 d . . P H 2
H13K H 0.167216 0.932845 0.900646 0.078 Uiso 0.5 1 calc R . P H 2
H13L H 0.098837 0.866215 0.925926 0.078 Uiso 0.5 1 calc R . P H 2
H13M H 0.150338 0.955859 0.962307 0.078 Uiso 0.5 1 calc R . P H 2
C135 C 0.3330(11) 0.8449(8) 1.0105(6) 0.042(3) Uiso 0.5 1 d . . P H 2
H13N H 0.398767 0.890175 1.018035 0.051 Uiso 0.5 1 calc R . P H 2
H13O H 0.339278 0.801748 0.980673 0.051 Uiso 0.5 1 calc R . P H 2
C136 C 0.3123(12) 0.8160(9) 1.0597(6) 0.044(3) Uiso 0.5 1 d . . P H 2
H13P H 0.369698 0.799264 1.070235 0.066 Uiso 0.5 1 calc R . P H 2
H13Q H 0.306547 0.859136 1.089013 0.066 Uiso 0.5 1 calc R . P H 2
H13R H 0.247274 0.771033 1.051787 0.066 Uiso 0.5 1 calc R . P H 2
C137 C 0.6302(11) 0.9310(8) 0.9186(6) 0.040(2) Uiso 0.5 1 d . . P J 2
H13S H 0.609584 0.909383 0.879386 0.048 Uiso 0.5 1 calc R . P J 2
H13T H 0.654179 0.989615 0.927143 0.048 Uiso 0.5 1 calc R . P J 2
C138 C 0.5315(14) 0.9023(11) 0.9479(7) 0.050(3) Uiso 0.5 1 d . . P J 2
H13U H 0.476535 0.920625 0.936132 0.075 Uiso 0.5 1 calc R . P J 2
H13V H 0.506216 0.844228 0.938923 0.075 Uiso 0.5 1 calc R . P J 2
H13W H 0.550826 0.924488 0.986697 0.075 Uiso 0.5 1 calc R . P J 2
C139 C 0.8078(10) 0.9329(8) 0.9091(5) 0.0375(19) Uiso 0.5 1 d . . P J 2
H13X H 0.834305 0.991654 0.919113 0.045 Uiso 0.5 1 calc R . P J 2
H13Y H 0.790502 0.913159 0.869651 0.045 Uiso 0.5 1 calc R . P J 2
C140 C 0.8901(12) 0.9026(9) 0.9271(6) 0.040(2) Uiso 0.5 1 d . . P J 2
H14D H 0.952391 0.920877 0.910173 0.060 Uiso 0.5 1 calc R . P J 2
H14E H 0.907535 0.922698 0.966100 0.060 Uiso 0.5 1 calc R . P J 2
H14F H 0.863836 0.844388 0.916755 0.060 Uiso 0.5 1 calc R . P J 2


_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 2.8504(4) . ?
Ag1 Ag3 3.2678(4) . ?
Ag1 S1 2.4204(10) . ?
Ag1 S3 2.4251(11) . ?
Ag1 S5 2.7702(11) . ?
Ag2 Ag3 3.0927(4) . ?
Ag2 Ag4 3.1773(4) . ?
Ag2 S2 2.3790(11) . ?
Ag2 S4 2.3934(11) . ?
Ag3 Ag4 2.8407(4) . ?
Ag3 S4 2.9466(12) . ?
Ag3 S5 2.4124(10) . ?
Ag3 S7 2.4124(11) . ?
Ag4 S6 2.3986(10) . ?
Ag4 S8 2.3825(11) . ?
S1 C1 1.666(4) . ?
S2 C1 1.681(4) . ?
S3 C26 1.661(4) . ?
S4 C26 1.695(5) . ?
S5 C51 1.702(4) . ?
S6 C51 1.666(4) . ?
S7 C76 1.671(5) . ?
S8 C76 1.686(4) . ?
C1 C2 1.514(5) . ?
C2 C3 1.410(6) . ?
C2 C7 1.410(6) . ?
C3 C4 1.394(6) . ?
C3 C8 1.494(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.388(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.387(6) . ?
C6 H6 0.9300 . ?
C6 C7 1.398(6) . ?
C7 C17 1.505(6) . ?
C8 C9 1.400(6) . ?
C8 C13 1.396(6) . ?
C9 C10 1.402(6) . ?
C9 C14 1.505(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.394(7) . ?
C11 C12 1.389(7) . ?
C11 C15 1.517(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.396(6) . ?
C13 C16 1.514(7) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.404(6) . ?
C17 C22 1.400(6) . ?
C18 C19 1.398(6) . ?
C18 C23 1.503(6) . ?
C19 H19 0.9300 . ?
C19 C20 1.391(7) . ?
C20 C21 1.392(7) . ?
C20 C24 1.513(7) . ?
C21 H21 0.9300 . ?
C21 C22 1.390(7) . ?
C22 C25 1.510(7) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.508(6) . ?
C27 C28 1.412(6) . ?
C27 C32 1.403(6) . ?
C28 C29 1.399(6) . ?
C28 C33 1.493(6) . ?
C29 H29 0.9300 . ?
C29 C30 1.390(7) . ?
C30 H30 0.9300 . ?
C30 C31 1.378(7) . ?
C31 H31 0.9300 . ?
C31 C32 1.397(6) . ?
C32 C42 1.495(6) . ?
C33 C34 1.400(7) . ?
C33 C38 1.403(7) . ?
C34 C35 1.398(7) . ?
C34 C39 1.511(7) . ?
C35 H35 0.9300 . ?
C35 C36 1.391(8) . ?
C36 C37 1.378(9) . ?
C36 C40 1.515(8) . ?
C37 H37 0.9300 . ?
C37 C38 1.398(7) . ?
C38 C41 1.505(8) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 C43 1.407(6) . ?
C42 C47 1.400(6) . ?
C43 C44 1.396(7) . ?
C43 C48 1.502(6) . ?
C44 H44 0.9300 . ?
C44 C45 1.397(7) . ?
C45 C46 1.381(7) . ?
C45 C49 1.505(7) . ?
C46 H46 0.9300 . ?
C46 C47 1.406(7) . ?
C47 C50 1.496(7) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 C52 1.514(5) . ?
C52 C53 1.407(6) . ?
C52 C57 1.412(6) . ?
C53 C54 1.398(6) . ?
C53 C58 1.499(6) . ?
C54 H54 0.9300 . ?
C54 C55 1.385(6) . ?
C55 H55 0.9300 . ?
C55 C56 1.385(6) . ?
C56 H56 0.9300 . ?
C56 C57 1.397(6) . ?
C57 C67 1.493(5) . ?
C58 C59 1.404(6) . ?
C58 C63 1.406(6) . ?
C59 C60 1.398(6) . ?
C59 C64 1.505(7) . ?
C60 H60 0.9300 . ?
C60 C61 1.388(7) . ?
C61 C62 1.392(7) . ?
C61 C65 1.511(6) . ?
C62 H62 0.9300 . ?
C62 C63 1.388(7) . ?
C63 C66 1.513(6) . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 C68 1.403(6) . ?
C67 C72 1.399(6) . ?
C68 C69 1.400(6) . ?
C68 C73 1.513(6) . ?
C69 H69 0.9300 . ?
C69 C70 1.388(7) . ?
C70 C71 1.396(7) . ?
C70 C74 1.510(6) . ?
C71 H71 0.9300 . ?
C71 C72 1.402(6) . ?
C72 C75 1.506(6) . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C76 C77 1.498(6) . ?
C77 C78 1.398(7) . ?
C77 C82 1.411(7) . ?
C78 C79 1.410(7) . ?
C78 C83 1.502(7) . ?
C79 H79 0.9300 . ?
C79 C80 1.392(9) . ?
C80 H80 0.9300 . ?
C80 C81 1.369(9) . ?
C81 H81 0.9300 . ?
C81 C82 1.397(7) . ?
C82 C92 1.490(8) . ?
C83 C84 1.408(7) . ?
C83 C88 1.395(7) . ?
C84 C85 1.392(8) . ?
C84 C89 1.514(8) . ?
C85 H85 0.9300 . ?
C85 C86 1.383(8) . ?
C86 C87 1.388(7) . ?
C86 C90 1.511(8) . ?
C87 H87 0.9300 . ?
C87 C88 1.396(7) . ?
C88 C91 1.512(7) . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
C92 C93 1.409(8) . ?
C92 C97 1.398(7) . ?
C93 C94 1.399(9) . ?
C93 C98 1.497(7) . ?
C94 H94 0.9300 . ?
C94 C95 1.396(9) . ?
C95 C96 1.375(12) . ?
C95 C99 1.515(11) . ?
C96 H96 0.9300 . ?
C96 C97 1.395(11) . ?
C97 C100 1.505(11) . ?
C98 H98A 0.9600 . ?
C98 H98B 0.9600 . ?
C98 H98C 0.9600 . ?
C99 H99A 0.9600 . ?
C99 H99B 0.9600 . ?
C99 H99C 0.9600 . ?
C100 H10A 0.9600 . ?
C100 H10B 0.9600 . ?
C100 H10C 0.9600 . ?
O1 C101 1.384(17) . ?
O1 C103 1.38(2) . ?
O1B C121 1.398(17) . ?
O1B C123 1.42(2) . ?
O2 C105 1.34(2) . ?
O2 C107 1.477(19) . ?
O2B C125 1.35(2) . ?
O2B C127 1.304(19) . ?
O3 C109 1.40(2) . ?
O3 C111 1.39(2) . ?
O3B C129 1.30(2) . ?
O3B C131 1.42(2) . ?
O4 C113 1.394(15) . ?
O4 C115 1.428(16) . ?
O4B C133 1.414(16) . ?
O4B C135 1.421(16) . ?
O5 C117 1.466(18) . ?
O5 C119 1.392(18) . ?
O5B C137 1.426(15) . ?
O5B C139 1.411(15) . ?
C101 H10D 0.9700 . ?
C101 H10E 0.9700 . ?
C101 C102 1.49(2) . ?
C102 H10F 0.9600 . ?
C102 H10G 0.9600 . ?
C102 H10H 0.9600 . ?
C103 H10I 0.9700 . ?
C103 H10J 0.9700 . ?
C103 C104 1.46(3) . ?
C104 H10K 0.9600 . ?
C104 H10L 0.9600 . ?
C104 H10M 0.9600 . ?
C105 H10N 0.9700 . ?
C105 H10O 0.9700 . ?
C105 C106 1.44(2) . ?
C106 H10P 0.9600 . ?
C106 H10Q 0.9600 . ?
C106 H10R 0.9600 . ?
C107 H10S 0.9700 . ?
C107 H10T 0.9700 . ?
C107 C108 1.58(2) . ?
C108 H10U 0.9600 . ?
C108 H10V 0.9600 . ?
C108 H10W 0.9600 . ?
C109 H10X 0.9700 . ?
C109 H10Y 0.9700 . ?
C109 C110 1.50(3) . ?
C110 H11A 0.9600 . ?
C110 H11B 0.9600 . ?
C110 H11C 0.9600 . ?
C111 H11D 0.9700 . ?
C111 H11E 0.9700 . ?
C111 C112 1.39(3) . ?
C112 H11F 0.9600 . ?
C112 H11G 0.9600 . ?
C112 H11H 0.9600 . ?
C113 H11I 0.9700 . ?
C113 H11J 0.9700 . ?
C113 C114 1.538(18) . ?
C114 H11K 0.9600 . ?
C114 H11L 0.9600 . ?
C114 H11M 0.9600 . ?
C115 H11N 0.9700 . ?
C115 H11O 0.9700 . ?
C115 C116 1.49(2) . ?
C116 H11P 0.9600 . ?
C116 H11Q 0.9600 . ?
C116 H11R 0.9600 . ?
C117 H11S 0.9700 . ?
C117 H11T 0.9700 . ?
C117 C118 1.46(2) . ?
C118 H11U 0.9600 . ?
C118 H11V 0.9600 . ?
C118 H11W 0.9600 . ?
C119 H11X 0.9700 . ?
C119 H11Y 0.9700 . ?
C119 C120 1.48(2) . ?
C120 H12W 0.9600 . ?
C120 H12X 0.9600 . ?
C120 H12Y 0.9600 . ?
C121 H12A 0.9700 . ?
C121 H12B 0.9700 . ?
C121 C122 1.48(2) . ?
C122 H12C 0.9600 . ?
C122 H12D 0.9600 . ?
C122 H12E 0.9600 . ?
C123 H12F 0.9700 . ?
C123 H12G 0.9700 . ?
C123 C124 1.53(3) . ?
C124 H12H 0.9600 . ?
C124 H12I 0.9600 . ?
C124 H12J 0.9600 . ?
C125 H12K 0.9700 . ?
C125 H12L 0.9700 . ?
C125 C126 1.53(2) . ?
C126 H12M 0.9600 . ?
C126 H12N 0.9600 . ?
C126 H12O 0.9600 . ?
C127 H12P 0.9700 . ?
C127 H12Q 0.9700 . ?
C127 C128 1.40(2) . ?
C128 H12R 0.9600 . ?
C128 H12S 0.9600 . ?
C128 H12T 0.9600 . ?
C129 H12U 0.9700 . ?
C129 H12V 0.9700 . ?
C129 C130 1.40(3) . ?
C130 H13A 0.9600 . ?
C130 H13B 0.9600 . ?
C130 H13C 0.9600 . ?
C131 H13D 0.9700 . ?
C131 H13E 0.9700 . ?
C131 C132 1.48(3) . ?
C132 H13F 0.9600 . ?
C132 H13G 0.9600 . ?
C132 H13H 0.9600 . ?
C133 H13I 0.9700 . ?
C133 H13J 0.9700 . ?
C133 C134 1.50(2) . ?
C134 H13K 0.9600 . ?
C134 H13L 0.9600 . ?
C134 H13M 0.9600 . ?
C135 H13N 0.9700 . ?
C135 H13O 0.9700 . ?
C135 C136 1.481(19) . ?
C136 H13P 0.9600 . ?
C136 H13Q 0.9600 . ?
C136 H13R 0.9600 . ?
C137 H13S 0.9700 . ?
C137 H13T 0.9700 . ?
C137 C138 1.56(2) . ?
C138 H13U 0.9600 . ?
C138 H13V 0.9600 . ?
C138 H13W 0.9600 . ?
C139 H13X 0.9700 . ?
C139 H13Y 0.9700 . ?
C139 C140 1.478(19) . ?
C140 H14D 0.9600 . ?
C140 H14E 0.9600 . ?
C140 H14F 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 Ag3 60.270(10) . . ?
S1 Ag1 Ag2 90.28(3) . . ?
S1 Ag1 Ag3 118.65(3) . . ?
S1 Ag1 S3 146.60(4) . . ?
S1 Ag1 S5 114.51(3) . . ?
S3 Ag1 Ag2 90.22(3) . . ?
S3 Ag1 Ag3 90.18(3) . . ?
S3 Ag1 S5 97.40(4) . . ?
S5 Ag1 Ag2 105.86(2) . . ?
S5 Ag1 Ag3 46.19(2) . . ?
Ag1 Ag2 Ag3 66.568(10) . . ?
Ag1 Ag2 Ag4 76.851(11) . . ?
Ag3 Ag2 Ag4 53.861(10) . . ?
S2 Ag2 Ag1 93.98(3) . . ?
S2 Ag2 Ag3 122.67(4) . . ?
S2 Ag2 Ag4 69.63(4) . . ?
S2 Ag2 S4 173.84(5) . . ?
S4 Ag2 Ag1 88.28(3) . . ?
S4 Ag2 Ag3 63.48(3) . . ?
S4 Ag2 Ag4 116.50(3) . . ?
Ag2 Ag3 Ag1 53.162(9) . . ?
Ag4 Ag3 Ag1 75.500(11) . . ?
Ag4 Ag3 Ag2 64.591(11) . . ?
Ag4 Ag3 S4 110.48(2) . . ?
S4 Ag3 Ag1 72.11(2) . . ?
S4 Ag3 Ag2 46.62(2) . . ?
S5 Ag3 Ag1 55.97(3) . . ?
S5 Ag3 Ag2 108.49(3) . . ?
S5 Ag3 Ag4 90.61(3) . . ?
S5 Ag3 S4 116.48(3) . . ?
S7 Ag3 Ag1 143.94(3) . . ?
S7 Ag3 Ag2 90.84(3) . . ?
S7 Ag3 Ag4 91.88(3) . . ?
S7 Ag3 S4 81.47(4) . . ?
S7 Ag3 S5 159.57(4) . . ?
Ag3 Ag4 Ag2 61.548(10) . . ?
S6 Ag4 Ag2 118.83(3) . . ?
S6 Ag4 Ag3 93.12(3) . . ?
S8 Ag4 Ag2 81.46(4) . . ?
S8 Ag4 Ag3 91.85(3) . . ?
S8 Ag4 S6 158.85(5) . . ?
C1 S1 Ag1 113.95(15) . . ?
C1 S2 Ag2 111.83(15) . . ?
C26 S3 Ag1 109.13(16) . . ?
Ag2 S4 Ag3 69.90(3) . . ?
C26 S4 Ag2 110.82(15) . . ?
C26 S4 Ag3 101.05(15) . . ?
Ag3 S5 Ag1 77.84(3) . . ?
C51 S5 Ag1 94.45(13) . . ?
C51 S5 Ag3 112.08(14) . . ?
C51 S6 Ag4 112.08(14) . . ?
C76 S7 Ag3 111.97(15) . . ?
C76 S8 Ag4 113.28(16) . . ?
S1 C1 S2 129.5(3) . . ?
C2 C1 S1 115.1(3) . . ?
C2 C1 S2 115.4(3) . . ?
C3 C2 C1 120.1(4) . . ?
C7 C2 C1 119.8(4) . . ?
C7 C2 C3 120.1(4) . . ?
C2 C3 C8 123.2(4) . . ?
C4 C3 C2 119.0(4) . . ?
C4 C3 C8 117.6(4) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.2(4) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.5(4) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 H6 119.4 . . ?
C5 C6 C7 121.1(4) . . ?
C7 C6 H6 119.4 . . ?
C2 C7 C17 121.8(4) . . ?
C6 C7 C2 119.0(4) . . ?
C6 C7 C17 119.2(4) . . ?
C9 C8 C3 120.9(4) . . ?
C13 C8 C3 118.9(4) . . ?
C13 C8 C9 120.1(4) . . ?
C8 C9 C10 118.9(4) . . ?
C8 C9 C14 121.1(4) . . ?
C10 C9 C14 120.0(4) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.5(4) . . ?
C11 C10 H10 119.3 . . ?
C10 C11 C15 120.6(5) . . ?
C12 C11 C10 118.4(4) . . ?
C12 C11 C15 120.9(5) . . ?
C11 C12 H12 119.3 . . ?
C11 C12 C13 121.4(4) . . ?
C13 C12 H12 119.3 . . ?
C8 C13 C16 120.6(4) . . ?
C12 C13 C8 119.5(4) . . ?
C12 C13 C16 119.9(4) . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
C11 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C7 119.5(4) . . ?
C22 C17 C7 120.5(4) . . ?
C22 C17 C18 119.9(4) . . ?
C17 C18 C23 121.5(4) . . ?
C19 C18 C17 118.9(4) . . ?
C19 C18 C23 119.6(4) . . ?
C18 C19 H19 119.1 . . ?
C20 C19 C18 121.8(4) . . ?
C20 C19 H19 119.1 . . ?
C19 C20 C21 118.0(4) . . ?
C19 C20 C24 121.0(5) . . ?
C21 C20 C24 121.0(5) . . ?
C20 C21 H21 119.1 . . ?
C22 C21 C20 121.9(4) . . ?
C22 C21 H21 119.1 . . ?
C17 C22 C25 120.9(4) . . ?
C21 C22 C17 119.3(4) . . ?
C21 C22 C25 119.8(4) . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 H24A 109.5 . . ?
C20 C24 H24B 109.5 . . ?
C20 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
S3 C26 S4 128.9(3) . . ?
C27 C26 S3 115.7(3) . . ?
C27 C26 S4 115.4(3) . . ?
C28 C27 C26 119.2(4) . . ?
C32 C27 C26 120.0(4) . . ?
C32 C27 C28 120.8(4) . . ?
C27 C28 C33 120.7(4) . . ?
C29 C28 C27 118.5(4) . . ?
C29 C28 C33 120.6(4) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 C28 120.8(4) . . ?
C30 C29 H29 119.6 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0(4) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 119.3 . . ?
C30 C31 C32 121.4(5) . . ?
C32 C31 H31 119.3 . . ?
C27 C32 C42 121.5(4) . . ?
C31 C32 C27 118.5(4) . . ?
C31 C32 C42 119.9(4) . . ?
C34 C33 C28 117.9(4) . . ?
C34 C33 C38 120.0(5) . . ?
C38 C33 C28 122.1(5) . . ?
C33 C34 C39 121.1(5) . . ?
C35 C34 C33 119.3(5) . . ?
C35 C34 C39 119.5(5) . . ?
C34 C35 H35 119.4 . . ?
C36 C35 C34 121.2(5) . . ?
C36 C35 H35 119.4 . . ?
C35 C36 C40 120.0(6) . . ?
C37 C36 C35 118.5(5) . . ?
C37 C36 C40 121.5(6) . . ?
C36 C37 H37 118.9 . . ?
C36 C37 C38 122.3(5) . . ?
C38 C37 H37 118.9 . . ?
C33 C38 C41 121.1(5) . . ?
C37 C38 C33 118.5(5) . . ?
C37 C38 C41 120.4(5) . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C36 C40 H40A 109.5 . . ?
C36 C40 H40B 109.5 . . ?
C36 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 C32 119.0(4) . . ?
C47 C42 C32 121.0(4) . . ?
C47 C42 C43 120.0(4) . . ?
C42 C43 C48 121.7(4) . . ?
C44 C43 C42 119.0(4) . . ?
C44 C43 C48 119.3(4) . . ?
C43 C44 H44 119.0 . . ?
C43 C44 C45 122.0(5) . . ?
C45 C44 H44 119.0 . . ?
C44 C45 C49 120.7(5) . . ?
C46 C45 C44 117.7(4) . . ?
C46 C45 C49 121.5(5) . . ?
C45 C46 H46 118.8 . . ?
C45 C46 C47 122.4(4) . . ?
C47 C46 H46 118.8 . . ?
C42 C47 C46 118.7(4) . . ?
C42 C47 C50 121.8(4) . . ?
C46 C47 C50 119.4(4) . . ?
C43 C48 H48A 109.5 . . ?
C43 C48 H48B 109.5 . . ?
C43 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C45 C49 H49A 109.5 . . ?
C45 C49 H49B 109.5 . . ?
C45 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C50 H50A 109.5 . . ?
C47 C50 H50B 109.5 . . ?
C47 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
S6 C51 S5 128.4(2) . . ?
C52 C51 S5 116.0(3) . . ?
C52 C51 S6 115.6(3) . . ?
C53 C52 C51 119.5(4) . . ?
C53 C52 C57 120.1(4) . . ?
C57 C52 C51 120.4(4) . . ?
C52 C53 C58 122.3(4) . . ?
C54 C53 C52 118.9(4) . . ?
C54 C53 C58 118.7(4) . . ?
C53 C54 H54 119.4 . . ?
C55 C54 C53 121.2(4) . . ?
C55 C54 H54 119.4 . . ?
C54 C55 H55 120.2 . . ?
C56 C55 C54 119.6(4) . . ?
C56 C55 H55 120.2 . . ?
C55 C56 H56 119.4 . . ?
C55 C56 C57 121.2(4) . . ?
C57 C56 H56 119.4 . . ?
C52 C57 C67 123.5(4) . . ?
C56 C57 C52 119.0(4) . . ?
C56 C57 C67 117.4(4) . . ?
C59 C58 C53 120.2(4) . . ?
C59 C58 C63 119.6(4) . . ?
C63 C58 C53 120.2(4) . . ?
C58 C59 C64 120.6(4) . . ?
C60 C59 C58 118.9(4) . . ?
C60 C59 C64 120.4(4) . . ?
C59 C60 H60 119.0 . . ?
C61 C60 C59 122.1(4) . . ?
C61 C60 H60 119.0 . . ?
C60 C61 C62 118.0(4) . . ?
C60 C61 C65 121.4(5) . . ?
C62 C61 C65 120.6(5) . . ?
C61 C62 H62 119.1 . . ?
C63 C62 C61 121.8(4) . . ?
C63 C62 H62 119.1 . . ?
C58 C63 C66 121.1(4) . . ?
C62 C63 C58 119.4(4) . . ?
C62 C63 C66 119.5(4) . . ?
C59 C64 H64A 109.5 . . ?
C59 C64 H64B 109.5 . . ?
C59 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C61 C65 H65A 109.5 . . ?
C61 C65 H65B 109.5 . . ?
C61 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C63 C66 H66A 109.5 . . ?
C63 C66 H66B 109.5 . . ?
C63 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 C57 118.7(4) . . ?
C72 C67 C57 121.0(4) . . ?
C72 C67 C68 120.3(4) . . ?
C67 C68 C73 120.8(4) . . ?
C69 C68 C67 118.9(4) . . ?
C69 C68 C73 120.3(4) . . ?
C68 C69 H69 119.2 . . ?
C70 C69 C68 121.6(4) . . ?
C70 C69 H69 119.2 . . ?
C69 C70 C71 118.5(4) . . ?
C69 C70 C74 120.9(5) . . ?
C71 C70 C74 120.6(5) . . ?
C70 C71 H71 119.3 . . ?
C70 C71 C72 121.4(4) . . ?
C72 C71 H71 119.3 . . ?
C67 C72 C71 118.9(4) . . ?
C67 C72 C75 120.6(4) . . ?
C71 C72 C75 120.5(4) . . ?
C68 C73 H73A 109.5 . . ?
C68 C73 H73B 109.5 . . ?
C68 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C70 C74 H74A 109.5 . . ?
C70 C74 H74B 109.5 . . ?
C70 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C72 C75 H75A 109.5 . . ?
C72 C75 H75B 109.5 . . ?
C72 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
S7 C76 S8 129.1(3) . . ?
C77 C76 S7 116.3(3) . . ?
C77 C76 S8 114.6(3) . . ?
C78 C77 C76 119.5(4) . . ?
C78 C77 C82 120.5(4) . . ?
C82 C77 C76 120.0(4) . . ?
C77 C78 C79 119.3(5) . . ?
C77 C78 C83 121.6(4) . . ?
C79 C78 C83 119.0(5) . . ?
C78 C79 H79 120.2 . . ?
C80 C79 C78 119.6(5) . . ?
C80 C79 H79 120.2 . . ?
C79 C80 H80 119.6 . . ?
C81 C80 C79 120.8(5) . . ?
C81 C80 H80 119.6 . . ?
C80 C81 H81 119.4 . . ?
C80 C81 C82 121.1(5) . . ?
C82 C81 H81 119.4 . . ?
C77 C82 C92 122.4(4) . . ?
C81 C82 C77 118.6(5) . . ?
C81 C82 C92 119.0(5) . . ?
C84 C83 C78 120.8(5) . . ?
C88 C83 C78 119.0(4) . . ?
C88 C83 C84 120.2(5) . . ?
C83 C84 C89 121.1(5) . . ?
C85 C84 C83 118.8(5) . . ?
C85 C84 C89 120.0(5) . . ?
C84 C85 H85 119.1 . . ?
C86 C85 C84 121.8(5) . . ?
C86 C85 H85 119.1 . . ?
C85 C86 C87 118.4(5) . . ?
C85 C86 C90 120.7(5) . . ?
C87 C86 C90 120.9(5) . . ?
C86 C87 H87 119.1 . . ?
C86 C87 C88 121.8(5) . . ?
C88 C87 H87 119.1 . . ?
C83 C88 C87 118.8(5) . . ?
C83 C88 C91 121.4(5) . . ?
C87 C88 C91 119.7(5) . . ?
C84 C89 H89A 109.5 . . ?
C84 C89 H89B 109.5 . . ?
C84 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C86 C90 H90A 109.5 . . ?
C86 C90 H90B 109.5 . . ?
C86 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C88 C91 H91A 109.5 . . ?
C88 C91 H91B 109.5 . . ?
C88 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C93 C92 C82 118.8(4) . . ?
C97 C92 C82 121.3(6) . . ?
C97 C92 C93 119.9(6) . . ?
C92 C93 C98 121.5(5) . . ?
C94 C93 C92 119.3(5) . . ?
C94 C93 C98 119.2(5) . . ?
C93 C94 H94 119.5 . . ?
C95 C94 C93 120.9(7) . . ?
C95 C94 H94 119.5 . . ?
C94 C95 C99 119.9(8) . . ?
C96 C95 C94 118.5(7) . . ?
C96 C95 C99 121.7(7) . . ?
C95 C96 H96 118.7 . . ?
C95 C96 C97 122.5(6) . . ?
C97 C96 H96 118.7 . . ?
C92 C97 C100 120.9(7) . . ?
C96 C97 C92 118.7(6) . . ?
C96 C97 C100 120.4(6) . . ?
C93 C98 H98A 109.5 . . ?
C93 C98 H98B 109.5 . . ?
C93 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C95 C99 H99A 109.5 . . ?
C95 C99 H99B 109.5 . . ?
C95 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C97 C100 H10A 109.5 . . ?
C97 C100 H10B 109.5 . . ?
C97 C100 H10C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C103 O1 C101 113.6(12) . . ?
C121 O1B C123 114.3(12) . . ?
C105 O2 C107 112.7(13) . . ?
C127 O2B C125 119.4(14) . . ?
C111 O3 C109 116.8(14) . . ?
C129 O3B C131 118.7(15) . . ?
C113 O4 C115 111.7(10) . . ?
C133 O4B C135 113.3(11) . . ?
C119 O5 C117 111.8(12) . . ?
C139 O5B C137 114.7(9) . . ?
O1 C101 H10D 109.9 . . ?
O1 C101 H10E 109.9 . . ?
O1 C101 C102 109.1(13) . . ?
H10D C101 H10E 108.3 . . ?
C102 C101 H10D 109.9 . . ?
C102 C101 H10E 109.9 . . ?
C101 C102 H10F 109.5 . . ?
C101 C102 H10G 109.5 . . ?
C101 C102 H10H 109.5 . . ?
H10F C102 H10G 109.5 . . ?
H10F C102 H10H 109.5 . . ?
H10G C102 H10H 109.5 . . ?
O1 C103 H10I 109.0 . . ?
O1 C103 H10J 109.0 . . ?
O1 C103 C104 112.9(16) . . ?
H10I C103 H10J 107.8 . . ?
C104 C103 H10I 109.0 . . ?
C104 C103 H10J 109.0 . . ?
C103 C104 H10K 109.5 . . ?
C103 C104 H10L 109.5 . . ?
C103 C104 H10M 109.5 . . ?
H10K C104 H10L 109.5 . . ?
H10K C104 H10M 109.5 . . ?
H10L C104 H10M 109.5 . . ?
O2 C105 H10N 108.5 . . ?
O2 C105 H10O 108.5 . . ?
O2 C105 C106 114.9(15) . . ?
H10N C105 H10O 107.5 . . ?
C106 C105 H10N 108.5 . . ?
C106 C105 H10O 108.5 . . ?
C105 C106 H10P 109.5 . . ?
C105 C106 H10Q 109.5 . . ?
C105 C106 H10R 109.5 . . ?
H10P C106 H10Q 109.5 . . ?
H10P C106 H10R 109.5 . . ?
H10Q C106 H10R 109.5 . . ?
O2 C107 H10S 107.9 . . ?
O2 C107 H10T 107.9 . . ?
O2 C107 C108 117.8(14) . . ?
H10S C107 H10T 107.2 . . ?
C108 C107 H10S 107.9 . . ?
C108 C107 H10T 107.9 . . ?
C107 C108 H10U 109.5 . . ?
C107 C108 H10V 109.5 . . ?
C107 C108 H10W 109.5 . . ?
H10U C108 H10V 109.5 . . ?
H10U C108 H10W 109.5 . . ?
H10V C108 H10W 109.5 . . ?
O3 C109 H10X 108.9 . . ?
O3 C109 H10Y 108.9 . . ?
O3 C109 C110 113.2(16) . . ?
H10X C109 H10Y 107.7 . . ?
C110 C109 H10X 108.9 . . ?
C110 C109 H10Y 108.9 . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O3 C111 H11D 108.3 . . ?
O3 C111 H11E 108.3 . . ?
O3 C111 C112 115.9(16) . . ?
H11D C111 H11E 107.4 . . ?
C112 C111 H11D 108.3 . . ?
C112 C111 H11E 108.3 . . ?
C111 C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
C111 C112 H11H 109.5 . . ?
H11F C112 H11G 109.5 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
O4 C113 H11I 109.8 . . ?
O4 C113 H11J 109.8 . . ?
O4 C113 C114 109.4(10) . . ?
H11I C113 H11J 108.2 . . ?
C114 C113 H11I 109.8 . . ?
C114 C113 H11J 109.8 . . ?
C113 C114 H11K 109.5 . . ?
C113 C114 H11L 109.5 . . ?
C113 C114 H11M 109.5 . . ?
H11K C114 H11L 109.5 . . ?
H11K C114 H11M 109.5 . . ?
H11L C114 H11M 109.5 . . ?
O4 C115 H11N 110.3 . . ?
O4 C115 H11O 110.3 . . ?
O4 C115 C116 107.1(12) . . ?
H11N C115 H11O 108.5 . . ?
C116 C115 H11N 110.3 . . ?
C116 C115 H11O 110.3 . . ?
C115 C116 H11P 109.5 . . ?
C115 C116 H11Q 109.5 . . ?
C115 C116 H11R 109.5 . . ?
H11P C116 H11Q 109.5 . . ?
H11P C116 H11R 109.5 . . ?
H11Q C116 H11R 109.5 . . ?
O5 C117 H11S 109.9 . . ?
O5 C117 H11T 109.9 . . ?
H11S C117 H11T 108.3 . . ?
C118 C117 O5 109.1(13) . . ?
C118 C117 H11S 109.9 . . ?
C118 C117 H11T 109.9 . . ?
C117 C118 H11U 109.5 . . ?
C117 C118 H11V 109.5 . . ?
C117 C118 H11W 109.5 . . ?
H11U C118 H11V 109.5 . . ?
H11U C118 H11W 109.5 . . ?
H11V C118 H11W 109.5 . . ?
O5 C119 H11X 109.9 . . ?
O5 C119 H11Y 109.9 . . ?
O5 C119 C120 109.0(14) . . ?
H11X C119 H11Y 108.3 . . ?
C120 C119 H11X 109.9 . . ?
C120 C119 H11Y 109.9 . . ?
C119 C120 H12W 109.5 . . ?
C119 C120 H12X 109.5 . . ?
C119 C120 H12Y 109.5 . . ?
H12W C120 H12X 109.5 . . ?
H12W C120 H12Y 109.5 . . ?
H12X C120 H12Y 109.5 . . ?
O1B C121 H12A 109.3 . . ?
O1B C121 H12B 109.3 . . ?
O1B C121 C122 111.4(13) . . ?
H12A C121 H12B 108.0 . . ?
C122 C121 H12A 109.3 . . ?
C122 C121 H12B 109.3 . . ?
C121 C122 H12C 109.5 . . ?
C121 C122 H12D 109.5 . . ?
C121 C122 H12E 109.5 . . ?
H12C C122 H12D 109.5 . . ?
H12C C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
O1B C123 H12F 110.2 . . ?
O1B C123 H12G 110.2 . . ?
O1B C123 C124 107.4(15) . . ?
H12F C123 H12G 108.5 . . ?
C124 C123 H12F 110.2 . . ?
C124 C123 H12G 110.2 . . ?
C123 C124 H12H 109.5 . . ?
C123 C124 H12I 109.5 . . ?
C123 C124 H12J 109.5 . . ?
H12H C124 H12I 109.5 . . ?
H12H C124 H12J 109.5 . . ?
H12I C124 H12J 109.5 . . ?
O2B C125 H12K 109.1 . . ?
O2B C125 H12L 109.1 . . ?
O2B C125 C126 112.5(14) . . ?
H12K C125 H12L 107.8 . . ?
C126 C125 H12K 109.1 . . ?
C126 C125 H12L 109.1 . . ?
C125 C126 H12M 109.5 . . ?
C125 C126 H12N 109.5 . . ?
C125 C126 H12O 109.5 . . ?
H12M C126 H12N 109.5 . . ?
H12M C126 H12O 109.5 . . ?
H12N C126 H12O 109.5 . . ?
O2B C127 H12P 108.8 . . ?
O2B C127 H12Q 108.8 . . ?
O2B C127 C128 113.6(15) . . ?
H12P C127 H12Q 107.7 . . ?
C128 C127 H12P 108.8 . . ?
C128 C127 H12Q 108.8 . . ?
C127 C128 H12R 109.5 . . ?
C127 C128 H12S 109.5 . . ?
C127 C128 H12T 109.5 . . ?
H12R C128 H12S 109.5 . . ?
H12R C128 H12T 109.5 . . ?
H12S C128 H12T 109.5 . . ?
O3B C129 H12U 106.9 . . ?
O3B C129 H12V 106.9 . . ?
O3B C129 C130 121.6(17) . . ?
H12U C129 H12V 106.7 . . ?
C130 C129 H12U 106.9 . . ?
C130 C129 H12V 106.9 . . ?
C129 C130 H13A 109.5 . . ?
C129 C130 H13B 109.5 . . ?
C129 C130 H13C 109.5 . . ?
H13A C130 H13B 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
O3B C131 H13D 110.0 . . ?
O3B C131 H13E 110.0 . . ?
O3B C131 C132 108.2(16) . . ?
H13D C131 H13E 108.4 . . ?
C132 C131 H13D 110.0 . . ?
C132 C131 H13E 110.0 . . ?
C131 C132 H13F 109.5 . . ?
C131 C132 H13G 109.5 . . ?
C131 C132 H13H 109.5 . . ?
H13F C132 H13G 109.5 . . ?
H13F C132 H13H 109.5 . . ?
H13G C132 H13H 109.5 . . ?
O4B C133 H13I 109.6 . . ?
O4B C133 H13J 109.6 . . ?
O4B C133 C134 110.1(12) . . ?
H13I C133 H13J 108.2 . . ?
C134 C133 H13I 109.6 . . ?
C134 C133 H13J 109.6 . . ?
C133 C134 H13K 109.5 . . ?
C133 C134 H13L 109.5 . . ?
C133 C134 H13M 109.5 . . ?
H13K C134 H13L 109.5 . . ?
H13K C134 H13M 109.5 . . ?
H13L C134 H13M 109.5 . . ?
O4B C135 H13N 110.0 . . ?
O4B C135 H13O 110.0 . . ?
O4B C135 C136 108.3(12) . . ?
H13N C135 H13O 108.4 . . ?
C136 C135 H13N 110.0 . . ?
C136 C135 H13O 110.0 . . ?
C135 C136 H13P 109.5 . . ?
C135 C136 H13Q 109.5 . . ?
C135 C136 H13R 109.5 . . ?
H13P C136 H13Q 109.5 . . ?
H13P C136 H13R 109.5 . . ?
H13Q C136 H13R 109.5 . . ?
O5B C137 H13S 109.0 . . ?
O5B C137 H13T 109.0 . . ?
O5B C137 C138 113.1(11) . . ?
H13S C137 H13T 107.8 . . ?
C138 C137 H13S 109.0 . . ?
C138 C137 H13T 109.0 . . ?
C137 C138 H13U 109.5 . . ?
C137 C138 H13V 109.5 . . ?
C137 C138 H13W 109.5 . . ?
H13U C138 H13V 109.5 . . ?
H13U C138 H13W 109.5 . . ?
H13V C138 H13W 109.5 . . ?
O5B C139 H13X 109.7 . . ?
O5B C139 H13Y 109.7 . . ?
O5B C139 C140 109.8(11) . . ?
H13X C139 H13Y 108.2 . . ?
C140 C139 H13X 109.7 . . ?
C140 C139 H13Y 109.7 . . ?
C139 C140 H14D 109.5 . . ?
C139 C140 H14E 109.5 . . ?
C139 C140 H14F 109.5 . . ?
H14D C140 H14E 109.5 . . ?
H14D C140 H14F 109.5 . . ?
H14E C140 H14F 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 S2 -8.2(4) . . . . ?
Ag1 S1 C1 C2 172.6(2) . . . . ?
Ag1 S3 C26 S4 -10.5(4) . . . . ?
Ag1 S3 C26 C27 167.4(3) . . . . ?
Ag1 S5 C51 S6 -56.9(3) . . . . ?
Ag1 S5 C51 C52 122.2(3) . . . . ?
Ag2 S2 C1 S1 7.4(4) . . . . ?
Ag2 S2 C1 C2 -173.4(3) . . . . ?
Ag2 S4 C26 S3 -18.0(4) . . . . ?
Ag2 S4 C26 C27 164.1(3) . . . . ?
Ag3 S4 C26 S3 54.5(3) . . . . ?
Ag3 S4 C26 C27 -123.4(3) . . . . ?
Ag3 S5 C51 S6 21.8(3) . . . . ?
Ag3 S5 C51 C52 -159.2(2) . . . . ?
Ag3 S7 C76 S8 10.7(4) . . . . ?
Ag3 S7 C76 C77 -169.5(3) . . . . ?
Ag4 S6 C51 S5 -10.5(3) . . . . ?
Ag4 S6 C51 C52 170.4(2) . . . . ?
Ag4 S8 C76 S7 0.2(4) . . . . ?
Ag4 S8 C76 C77 -179.6(3) . . . . ?
S1 C1 C2 C3 111.9(4) . . . . ?
S1 C1 C2 C7 -66.9(5) . . . . ?
S2 C1 C2 C3 -67.4(5) . . . . ?
S2 C1 C2 C7 113.8(4) . . . . ?
S3 C26 C27 C28 76.3(5) . . . . ?
S3 C26 C27 C32 -103.5(4) . . . . ?
S4 C26 C27 C28 -105.5(4) . . . . ?
S4 C26 C27 C32 74.7(5) . . . . ?
S5 C51 C52 C53 122.3(4) . . . . ?
S5 C51 C52 C57 -58.6(5) . . . . ?
S6 C51 C52 C53 -58.6(5) . . . . ?
S6 C51 C52 C57 120.5(4) . . . . ?
S7 C76 C77 C78 112.4(4) . . . . ?
S7 C76 C77 C82 -66.9(5) . . . . ?
S8 C76 C77 C78 -67.8(5) . . . . ?
S8 C76 C77 C82 112.9(4) . . . . ?
C1 C2 C3 C4 -178.5(4) . . . . ?
C1 C2 C3 C8 -2.9(6) . . . . ?
C1 C2 C7 C6 178.4(4) . . . . ?
C1 C2 C7 C17 -1.7(6) . . . . ?
C2 C3 C4 C5 0.4(7) . . . . ?
C2 C3 C8 C9 98.9(5) . . . . ?
C2 C3 C8 C13 -84.5(5) . . . . ?
C2 C7 C17 C18 98.9(5) . . . . ?
C2 C7 C17 C22 -81.8(5) . . . . ?
C3 C2 C7 C6 -0.4(6) . . . . ?
C3 C2 C7 C17 179.4(4) . . . . ?
C3 C4 C5 C6 -1.1(7) . . . . ?
C3 C8 C9 C10 -178.5(4) . . . . ?
C3 C8 C9 C14 2.4(6) . . . . ?
C3 C8 C13 C12 178.8(4) . . . . ?
C3 C8 C13 C16 -3.3(6) . . . . ?
C4 C3 C8 C9 -85.5(5) . . . . ?
C4 C3 C8 C13 91.2(5) . . . . ?
C4 C5 C6 C7 1.0(7) . . . . ?
C5 C6 C7 C2 -0.2(7) . . . . ?
C5 C6 C7 C17 179.9(4) . . . . ?
C6 C7 C17 C18 -81.2(5) . . . . ?
C6 C7 C17 C22 98.0(5) . . . . ?
C7 C2 C3 C4 0.3(6) . . . . ?
C7 C2 C3 C8 175.9(4) . . . . ?
C7 C17 C18 C19 -175.3(4) . . . . ?
C7 C17 C18 C23 6.0(6) . . . . ?
C7 C17 C22 C21 176.7(4) . . . . ?
C7 C17 C22 C25 -5.3(6) . . . . ?
C8 C3 C4 C5 -175.4(4) . . . . ?
C8 C9 C10 C11 -1.8(6) . . . . ?
C9 C8 C13 C12 -4.5(6) . . . . ?
C9 C8 C13 C16 173.4(4) . . . . ?
C9 C10 C11 C12 -1.7(7) . . . . ?
C9 C10 C11 C15 178.6(4) . . . . ?
C10 C11 C12 C13 2.1(6) . . . . ?
C11 C12 C13 C8 1.0(6) . . . . ?
C11 C12 C13 C16 -177.0(4) . . . . ?
C13 C8 C9 C10 4.9(6) . . . . ?
C13 C8 C9 C14 -174.2(4) . . . . ?
C14 C9 C10 C11 177.3(4) . . . . ?
C15 C11 C12 C13 -178.2(4) . . . . ?
C17 C18 C19 C20 -2.7(6) . . . . ?
C18 C17 C22 C21 -4.1(6) . . . . ?
C18 C17 C22 C25 173.9(4) . . . . ?
C18 C19 C20 C21 -1.5(7) . . . . ?
C18 C19 C20 C24 179.2(4) . . . . ?
C19 C20 C21 C22 3.0(7) . . . . ?
C20 C21 C22 C17 -0.2(7) . . . . ?
C20 C21 C22 C25 -178.2(5) . . . . ?
C22 C17 C18 C19 5.5(6) . . . . ?
C22 C17 C18 C23 -173.3(4) . . . . ?
C23 C18 C19 C20 176.1(4) . . . . ?
C24 C20 C21 C22 -177.7(5) . . . . ?
C26 C27 C28 C29 -176.0(4) . . . . ?
C26 C27 C28 C33 9.4(6) . . . . ?
C26 C27 C32 C31 176.5(4) . . . . ?
C26 C27 C32 C42 -5.8(6) . . . . ?
C27 C28 C29 C30 -1.3(7) . . . . ?
C27 C28 C33 C34 81.8(6) . . . . ?
C27 C28 C33 C38 -98.5(5) . . . . ?
C27 C32 C42 C43 -95.6(5) . . . . ?
C27 C32 C42 C47 84.1(6) . . . . ?
C28 C27 C32 C31 -3.3(7) . . . . ?
C28 C27 C32 C42 174.4(4) . . . . ?
C28 C29 C30 C31 -1.6(8) . . . . ?
C28 C33 C34 C35 -175.9(4) . . . . ?
C28 C33 C34 C39 6.1(7) . . . . ?
C28 C33 C38 C37 175.6(4) . . . . ?
C28 C33 C38 C41 -5.4(7) . . . . ?
C29 C28 C33 C34 -92.7(6) . . . . ?
C29 C28 C33 C38 87.0(6) . . . . ?
C29 C30 C31 C32 2.1(8) . . . . ?
C30 C31 C32 C27 0.4(7) . . . . ?
C30 C31 C32 C42 -177.4(5) . . . . ?
C31 C32 C42 C43 82.1(6) . . . . ?
C31 C32 C42 C47 -98.1(5) . . . . ?
C32 C27 C28 C29 3.8(7) . . . . ?
C32 C27 C28 C33 -170.8(4) . . . . ?
C32 C42 C43 C44 176.5(4) . . . . ?
C32 C42 C43 C48 -2.6(6) . . . . ?
C32 C42 C47 C46 -175.5(4) . . . . ?
C32 C42 C47 C50 5.2(7) . . . . ?
C33 C28 C29 C30 173.3(5) . . . . ?
C33 C34 C35 C36 -0.4(8) . . . . ?
C34 C33 C38 C37 -4.7(7) . . . . ?
C34 C33 C38 C41 174.3(4) . . . . ?
C34 C35 C36 C37 -3.1(8) . . . . ?
C34 C35 C36 C40 177.3(5) . . . . ?
C35 C36 C37 C38 2.7(8) . . . . ?
C36 C37 C38 C33 1.2(7) . . . . ?
C36 C37 C38 C41 -177.9(5) . . . . ?
C38 C33 C34 C35 4.4(7) . . . . ?
C38 C33 C34 C39 -173.6(4) . . . . ?
C39 C34 C35 C36 177.6(5) . . . . ?
C40 C36 C37 C38 -177.7(5) . . . . ?
C42 C43 C44 C45 -0.7(7) . . . . ?
C43 C42 C47 C46 4.3(6) . . . . ?
C43 C42 C47 C50 -175.1(4) . . . . ?
C43 C44 C45 C46 3.5(7) . . . . ?
C43 C44 C45 C49 -176.3(5) . . . . ?
C44 C45 C46 C47 -2.5(7) . . . . ?
C45 C46 C47 C42 -1.4(7) . . . . ?
C45 C46 C47 C50 178.0(5) . . . . ?
C47 C42 C43 C44 -3.3(6) . . . . ?
C47 C42 C43 C48 177.6(4) . . . . ?
C48 C43 C44 C45 178.5(4) . . . . ?
C49 C45 C46 C47 177.3(5) . . . . ?
C51 C52 C53 C54 178.5(4) . . . . ?
C51 C52 C53 C58 -2.9(6) . . . . ?
C51 C52 C57 C56 -178.3(4) . . . . ?
C51 C52 C57 C67 -2.1(6) . . . . ?
C52 C53 C54 C55 -0.3(7) . . . . ?
C52 C53 C58 C59 -78.1(5) . . . . ?
C52 C53 C58 C63 103.1(5) . . . . ?
C52 C57 C67 C68 -81.2(5) . . . . ?
C52 C57 C67 C72 101.2(5) . . . . ?
C53 C52 C57 C56 0.8(6) . . . . ?
C53 C52 C57 C67 177.0(4) . . . . ?
C53 C54 C55 C56 1.2(7) . . . . ?
C53 C58 C59 C60 177.4(4) . . . . ?
C53 C58 C59 C64 -4.5(6) . . . . ?
C53 C58 C63 C62 -175.9(4) . . . . ?
C53 C58 C63 C66 3.7(6) . . . . ?
C54 C53 C58 C59 100.6(5) . . . . ?
C54 C53 C58 C63 -78.3(5) . . . . ?
C54 C55 C56 C57 -1.0(7) . . . . ?
C55 C56 C57 C52 0.0(7) . . . . ?
C55 C56 C57 C67 -176.4(4) . . . . ?
C56 C57 C67 C68 95.1(5) . . . . ?
C56 C57 C67 C72 -82.5(5) . . . . ?
C57 C52 C53 C54 -0.7(6) . . . . ?
C57 C52 C53 C58 178.0(4) . . . . ?
C57 C67 C68 C69 176.9(4) . . . . ?
C57 C67 C68 C73 -5.0(6) . . . . ?
C57 C67 C72 C71 -177.0(4) . . . . ?
C57 C67 C72 C75 2.6(6) . . . . ?
C58 C53 C54 C55 -179.0(4) . . . . ?
C58 C59 C60 C61 -0.2(7) . . . . ?
C59 C58 C63 C62 5.2(6) . . . . ?
C59 C58 C63 C66 -175.2(4) . . . . ?
C59 C60 C61 C62 2.6(7) . . . . ?
C59 C60 C61 C65 -178.7(4) . . . . ?
C60 C61 C62 C63 -1.1(7) . . . . ?
C61 C62 C63 C58 -2.7(6) . . . . ?
C61 C62 C63 C66 177.6(4) . . . . ?
C63 C58 C59 C60 -3.7(6) . . . . ?
C63 C58 C59 C64 174.4(4) . . . . ?
C64 C59 C60 C61 -178.3(4) . . . . ?
C65 C61 C62 C63 -179.8(4) . . . . ?
C67 C68 C69 C70 1.7(7) . . . . ?
C68 C67 C72 C71 5.4(6) . . . . ?
C68 C67 C72 C75 -175.0(4) . . . . ?
C68 C69 C70 C71 1.9(7) . . . . ?
C68 C69 C70 C74 -178.4(4) . . . . ?
C69 C70 C71 C72 -1.9(7) . . . . ?
C70 C71 C72 C67 -1.7(6) . . . . ?
C70 C71 C72 C75 178.7(4) . . . . ?
C72 C67 C68 C69 -5.4(6) . . . . ?
C72 C67 C68 C73 172.6(4) . . . . ?
C73 C68 C69 C70 -176.3(4) . . . . ?
C74 C70 C71 C72 178.4(4) . . . . ?
C76 C77 C78 C79 177.9(4) . . . . ?
C76 C77 C78 C83 -5.4(7) . . . . ?
C76 C77 C82 C81 -177.0(4) . . . . ?
C76 C77 C82 C92 4.6(7) . . . . ?
C77 C78 C79 C80 0.4(8) . . . . ?
C77 C78 C83 C84 101.6(6) . . . . ?
C77 C78 C83 C88 -79.3(6) . . . . ?
C77 C82 C92 C93 99.1(6) . . . . ?
C77 C82 C92 C97 -81.6(6) . . . . ?
C78 C77 C82 C81 3.7(7) . . . . ?
C78 C77 C82 C92 -174.7(4) . . . . ?
C78 C79 C80 C81 1.2(8) . . . . ?
C78 C83 C84 C85 -176.5(5) . . . . ?
C78 C83 C84 C89 3.4(7) . . . . ?
C78 C83 C88 C87 176.1(4) . . . . ?
C78 C83 C88 C91 -5.5(7) . . . . ?
C79 C78 C83 C84 -81.6(6) . . . . ?
C79 C78 C83 C88 97.5(6) . . . . ?
C79 C80 C81 C82 -0.3(9) . . . . ?
C80 C81 C82 C77 -2.1(8) . . . . ?
C80 C81 C82 C92 176.4(5) . . . . ?
C81 C82 C92 C93 -79.3(6) . . . . ?
C81 C82 C92 C97 100.0(6) . . . . ?
C82 C77 C78 C79 -2.9(7) . . . . ?
C82 C77 C78 C83 173.9(4) . . . . ?
C82 C92 C93 C94 -177.6(4) . . . . ?
C82 C92 C93 C98 1.4(7) . . . . ?
C82 C92 C97 C96 177.2(5) . . . . ?
C82 C92 C97 C100 -5.0(8) . . . . ?
C83 C78 C79 C80 -176.5(5) . . . . ?
C83 C84 C85 C86 -1.0(8) . . . . ?
C84 C83 C88 C87 -4.8(7) . . . . ?
C84 C83 C88 C91 173.6(5) . . . . ?
C84 C85 C86 C87 -2.0(8) . . . . ?
C84 C85 C86 C90 179.9(5) . . . . ?
C85 C86 C87 C88 1.6(8) . . . . ?
C86 C87 C88 C83 1.8(7) . . . . ?
C86 C87 C88 C91 -176.6(5) . . . . ?
C88 C83 C84 C85 4.4(7) . . . . ?
C88 C83 C84 C89 -175.7(5) . . . . ?
C89 C84 C85 C86 179.1(5) . . . . ?
C90 C86 C87 C88 179.7(5) . . . . ?
C92 C93 C94 C95 0.1(8) . . . . ?
C93 C92 C97 C96 -3.5(8) . . . . ?
C93 C92 C97 C100 174.3(5) . . . . ?
C93 C94 C95 C96 -2.6(9) . . . . ?
C93 C94 C95 C99 176.9(6) . . . . ?
C94 C95 C96 C97 2.2(10) . . . . ?
C95 C96 C97 C92 0.9(9) . . . . ?
C95 C96 C97 C100 -176.9(6) . . . . ?
C97 C92 C93 C94 3.1(7) . . . . ?
C97 C92 C93 C98 -177.9(5) . . . . ?
C98 C93 C94 C95 -179.0(5) . . . . ?
C99 C95 C96 C97 -177.3(6) . . . . ?
C101 O1 C103 C104 177.3(15) . . . . ?
C103 O1 C101 C102 -179.4(14) . . . . ?
C105 O2 C107 C108 -87.1(18) . . . . ?
C107 O2 C105 C106 172.9(14) . . . . ?
C109 O3 C111 C112 -174.2(17) . . . . ?
C111 O3 C109 C110 -173.0(16) . . . . ?
C113 O4 C115 C116 -179.7(11) . . . . ?
C115 O4 C113 C114 -176.6(10) . . . . ?
C117 O5 C119 C120 173.4(13) . . . . ?
C119 O5 C117 C118 -172.1(13) . . . . ?
C121 O1B C123 C124 175.5(14) . . . . ?
C123 O1B C121 C122 178.9(14) . . . . ?
C125 O2B C127 C128 -173.7(16) . . . . ?
C127 O2B C125 C126 -175.2(15) . . . . ?
C129 O3B C131 C132 -177.4(16) . . . . ?
C131 O3B C129 C130 179.3(18) . . . . ?
C133 O4B C135 C136 -178.7(11) . . . . ?
C135 O4B C133 C134 175.3(12) . . . . ?
C137 O5B C139 C140 -179.0(11) . . . . ?
C139 O5B C137 C138 -178.4(11) . . . . ?

_olex2_date_sample_data_collection 2017-11-13
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 8.375
_oxdiff_exptl_absorpt_empirical_full_min 0.391
####################################################################### 
# 
# 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_glatthor23
_database_code_depnum_ccdc_archive 'CCDC 1813122'
_audit_update_record             
;
2017-12-22 deposited with the CCDC.
2018-03-12 downloaded from the CCDC.
;
_audit_creation_date             2017-12-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C55 H59 Ag4 N3 S8, 0.5(C5 H5 N)'
_chemical_formula_sum            'C57.50 H61.50 Ag4 N3.50 S8'
_chemical_formula_weight         1489.56
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C59 H59 Ag4 N2 S8'
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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.72625(5)
_cell_length_b                   21.79602(9)
_cell_length_c                   21.46037(9)
_cell_angle_alpha                90
_cell_angle_beta                 96.3063(4)
_cell_angle_gamma                90
_cell_volume                     5916.69(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    146204
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      72.8460
_cell_measurement_theta_min      3.4490
_shelx_estimated_absorpt_T_max   0.596
_shelx_estimated_absorpt_T_min   0.347
_exptl_absorpt_coefficient_mu    13.411
_exptl_absorpt_correction_T_max  0.626
_exptl_absorpt_correction_T_min  0.348
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2988
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 0 0 0.0214
-1 0 0 0.0214
0 1 1 0.0230
0 -1 -1 0.0230
0 1 -1 0.0476
0 -1 1 0.0476

_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.046
_exptl_crystal_size_min          0.043
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.9992 -0.0115 -0.0030 -0.0042 0.1215 0.0034
-0.9992 0.0115 0.0030 0.0042 -0.1215 -0.0034
0.0063 0.9954 1.0018 -0.0035 0.0108 -0.1003
-0.0063 -0.9954 -1.0018 0.0035 -0.0108 0.1003
0.0015 1.0013 -0.9959 0.1008 -0.0045 -0.0017
-0.0015 -1.0013 0.9959 -0.1008 0.0045 0.0017

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0086
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            202082
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.349
_diffrn_reflns_theta_min         2.899
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3114
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -69.00  28.00   1.00    7.50    --  -42.33  58.00  73.00   97
  2  ω   -112.00 -15.00   1.00    7.50    --  -42.33 -58.00 -66.00   97
  3  ω     15.00 112.00   1.00    7.50    --   42.33  58.00  73.00   97
  4  ω     84.00 178.00   1.00   24.50    --  111.00  58.00  73.00   94
  5  ω     41.00 138.00   1.00   24.50    --  111.00 -58.00 -66.00   97
  6  ω   -115.00 -20.00   1.00    7.50    --  -42.33 -37.00 -30.00   95
  7  ω   -116.00 -11.00   1.00    7.50    --  -42.33 -77.00   0.00  105
  8  ω   -116.00 -11.00   1.00    7.50    --  -42.33 -77.00-150.00  105
  9  ω   -116.00 -11.00   1.00    7.50    --  -42.33 -77.00 120.00  105
 10  ω   -115.00 -20.00   1.00    7.50    --  -42.33 -37.00  60.00   95
 11  ω   -116.00 -11.00   1.00    7.50    --  -42.33 -77.00  60.00  105
 12  ω   -116.00 -11.00   1.00    7.50    --  -42.33 -77.00 -60.00  105
 13  ω      1.00  82.00   1.00    7.50    --   42.33 -99.00 150.00   81
 14  ω    -28.00  69.00   1.00    7.50    --   42.33 -58.00 -66.00   97
 15  ω     57.00 129.00   1.00    7.50    --   42.33 178.00 -30.00   72
 16  ω     83.00 178.00   1.00   24.50    --  111.00  61.00  30.00   95
 17  ω     30.00 109.00   1.00   24.50    --  111.00 -94.00 -60.00   79
 18  ω     81.00 178.00   1.00   24.50    --  111.00  71.00 106.96   97
 19  ω     37.00 142.00   1.00   24.50    --  111.00 -77.00  90.00  105
 20  ω     39.00 121.00   1.00   24.50    --  111.00-125.00 120.00   82
 21  ω     39.00 121.00   1.00   24.50    --  111.00-125.00 -60.00   82
 22  ω     80.00 178.00   1.00   24.50    --  111.00  77.00-150.00   98
 23  ω     83.00 178.00   1.00   24.50    --  111.00  61.00  60.00   95
 24  ω     80.00 178.00   1.00   24.50    --  111.00  77.00 -60.00   98
 25  ω     83.00 178.00   1.00   24.50    --  111.00  61.00 -90.00   95
 26  ω     80.00 178.00   1.00   24.50    --  111.00  77.00 -30.00   98
 27  ω     80.00 178.00   1.00   24.50    --  111.00  77.00 120.00   98
 28  ω     83.00 178.00   1.00   24.50    --  111.00  61.00 150.00   95
 29  ω     83.00 178.00   1.00   24.50    --  111.00  61.00-150.00   95
 30  ω     81.00 178.00   1.00   24.50    --  111.00  70.00  42.55   97
 31  ω     81.00 178.00   1.00   24.50    --  111.00  71.00 113.22   97
 32  ω     80.00 178.00   1.00   24.50    --  111.00  77.00 -90.00   98
 33  ω     80.00 178.00   1.00   24.50    --  111.00  75.00 -41.00   98
 34  ω     39.00 121.00   1.00   24.50    --  111.00-125.00 -90.00   82
 35  ω     80.00 178.00   1.00   24.50    --  111.00  77.00  60.00   98
 36  ω     83.00 178.00   1.00   24.50    --  111.00  61.00-180.00   95
 37  ω     39.00 121.00   1.00   24.50    --  111.00-125.00  60.00   82
 38  ω     83.00 178.00   1.00   24.50    --  111.00  61.00-120.00   95
 39  ω     80.00 178.00   1.00   24.50    --  111.00  77.00  90.00   98
 40  ω     83.00 178.00   1.00   24.50    --  111.00  61.00 -30.00   95
 41  ω     85.00 178.00   1.00   24.50    --  111.00  55.00 -43.47   93
 42  ω     82.00 178.00   1.00   24.50    --  111.00  68.00 -27.51   96
 43  ω     82.00 178.00   1.00   24.50    --  111.00  68.00 158.34   96
 44  ω     87.00 178.00   1.00   24.50    --  111.00  45.00  30.00   91
 45  ω     87.00 178.00   1.00   24.50    --  111.00  45.00-150.00   91
 46  ω     39.00 121.00   1.00   24.50    --  111.00-125.00-180.00   82
 47  ω     80.00 178.00   1.00   24.50    --  111.00  77.00-180.00   98
 48  ω     80.00 178.00   1.00   24.50    --  111.00  77.00   0.00   98
 49  ω     83.00 178.00   1.00   24.50    --  111.00  62.00-103.34   95
 50  ω     82.00 178.00   1.00   24.50    --  111.00  69.00-122.34   96
 51  ω     83.00 178.00   1.00   24.50    --  111.00  61.00 -60.00   95
 52  ω     83.00 178.00   1.00   24.50    --  111.00  63.00  89.28   95
 53  ω     83.00 178.00   1.00   24.50    --  111.00  62.00  39.98   95
 54  ω     83.00 178.00   1.00   24.50    --  111.00  61.00   0.00   95
 55  ω   -116.00 -11.00   1.00    7.50    --  -42.33 -77.00-120.00  105
 56  ω   -121.00  -5.00   1.00    7.50    --  -42.33 -19.00 -60.00  116
 57  ω   -112.00 -16.00   1.00    7.50    --  -42.33 -57.00-180.00   96
 58  ω   -116.00 -11.00   1.00    7.50    --  -42.33 -77.00  90.00  105
 59  ω   -116.00 -52.00   1.00    7.50    --  -42.33 -77.00 150.00   64
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0038287000
_diffrn_orient_matrix_UB_12      0.0489069000
_diffrn_orient_matrix_UB_13      -0.0520353000
_diffrn_orient_matrix_UB_21      0.1216975000
_diffrn_orient_matrix_UB_22      0.0026604000
_diffrn_orient_matrix_UB_23      0.0073907000
_diffrn_orient_matrix_UB_31      0.0026789000
_diffrn_orient_matrix_UB_32      -0.0509449000
_diffrn_orient_matrix_UB_33      -0.0495549000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11636
_reflns_number_total             11688
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     43.26
_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 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.357
_refine_diff_density_min         -0.672
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     681
_refine_ls_number_reflns         11688
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0172
_refine_ls_R_factor_gt           0.0171
_refine_ls_restrained_S_all      1.067
_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)+(0.0208P)²+5.6160P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0439
_refine_ls_wR_factor_ref         0.0440
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C7B) = Uanis(C7A)
Uanis(C10B) = Uanis(C10A)
Uanis(C6B) = Uanis(C6A)
Uanis(C5B) = Uanis(C5A)
Uanis(C9B) = Uanis(C9A)
Uanis(C4B) = Uanis(C4A)
Uiso(C56) = Uiso(C57) = Uiso(C58) = Uiso(C59) = Uiso(C60)
3. Same fragment restrains
{N1, C41, C42, C43, C44, C45} sigma for 1-2: 0.02, 1-3: 0.04
as
{N4, C56, C57, C58, C59, C60}
4. Others
 Sof(C4B)=Sof(H4B)=Sof(C5B)=Sof(C6B)=Sof(H6B)=Sof(C7B)=Sof(C9B)=Sof(H9BA)=
 Sof(H9BB)=Sof(H9BC)=Sof(C10B)=Sof(H10D)=Sof(H10E)=Sof(H10F)=1-FVAR(1)
 Sof(C4A)=Sof(H4A)=Sof(C5A)=Sof(C6A)=Sof(H6A)=Sof(C7A)=Sof(C9A)=Sof(H9AA)=
 Sof(H9AB)=Sof(H9AC)=Sof(C10A)=Sof(H10A)=Sof(H10B)=Sof(H10C)=FVAR(1)
 Fixed Sof: N4(0.5) C56(0.5) H56(0.5) C57(0.5) H57(0.5) C58(0.5) H58(0.5)
 C59(0.5) H59(0.5) C60(0.5) H60(0.5)
5.a Me refined with riding coordinates:
 C10A(H10A,H10B,H10C), C9B(H9BA,H9BB,H9BC), C10B(H10D,H10E,H10F)
5.b Aromatic/amide H refined with riding coordinates:
 C4A(H4A), C6A(H6A), C4B(H4B), C6B(H6B), C14(H14), C16(H16), C24(H24),
 C26(H26), C34(H34), C36(H36), C41(H41), C42(H42), C43(H43), C44(H44), C45(H45),
  C46(H46), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51), C52(H52),
 C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60)
5.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9A(H9AA,H9AB,H9AC), C18(H18A,H18B,H18C), C19(H19A,H19B,
 H19C), C20(H20A,H20B,H20C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,
 H30B,H30C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.18419(2) 0.26107(2) 0.32633(2) 0.01947(3) Uani 1 1 d . . . . .
Ag2 Ag 0.41096(2) 0.28437(2) 0.30289(2) 0.01746(3) Uani 1 1 d . . . . .
Ag3 Ag 0.39953(2) 0.17616(2) 0.38241(2) 0.01879(3) Uani 1 1 d . . . . .
Ag4 Ag 0.32267(2) 0.29466(2) 0.43090(2) 0.01886(3) Uani 1 1 d . . . . .
S1 S 0.16689(3) 0.16991(2) 0.25706(2) 0.02470(9) Uani 1 1 d . . . . .
S2 S 0.40685(3) 0.17256(2) 0.26551(2) 0.01801(8) Uani 1 1 d . . . . .
S3 S 0.25844(3) 0.36019(2) 0.27960(2) 0.01871(8) Uani 1 1 d . . . . .
S4 S 0.30429(4) 0.40664(2) 0.41275(2) 0.02546(9) Uani 1 1 d . . . . .
S5 S 0.15301(3) 0.23790(2) 0.44435(2) 0.01942(8) Uani 1 1 d . . . . .
S6 S 0.26358(3) 0.11559(2) 0.43058(2) 0.02201(9) Uani 1 1 d . . . . .
S7 S 0.56971(3) 0.31986(2) 0.37564(2) 0.02198(9) Uani 1 1 d . . . . .
S8 S 0.48677(3) 0.24040(2) 0.47512(2) 0.02039(8) Uani 1 1 d . . . . .
C1 C 0.28346(14) 0.14743(8) 0.23747(8) 0.0182(3) Uani 1 1 d . . . . .
C2 C 0.28161(15) 0.09795(8) 0.18926(8) 0.0213(4) Uani 1 1 d . . . . .
C3 C 0.27000(16) 0.03665(9) 0.20717(9) 0.0254(4) Uani 1 1 d . . . . .
C4A C 0.2660(4) -0.0085(2) 0.1634(2) 0.0333(9) Uani 0.802(8) 1 d . . P A 1
H4A H 0.258399 -0.049019 0.175527 0.040 Uiso 0.802(8) 1 calc R . P A 1
C5A C 0.2732(4) 0.00501(18) 0.10018(18) 0.0467(11) Uani 0.802(8) 1 d . . P A 1
C6A C 0.2887(4) 0.06578(19) 0.08367(17) 0.0448(11) Uani 0.802(8) 1 d . . P A 1
H6A H 0.296130 0.075117 0.042094 0.054 Uiso 0.802(8) 1 calc R . P A 1
C7A C 0.2936(4) 0.1133(3) 0.1278(3) 0.0290(10) Uani 0.802(8) 1 d . . P A 1
C8 C 0.2668(2) 0.01966(10) 0.27475(10) 0.0374(5) Uani 1 1 d . . . . .
H8A H 0.329584 0.034401 0.299054 0.056 Uiso 1 1 calc GR . . . .
H8B H 0.263070 -0.024150 0.278509 0.056 Uiso 1 1 calc GR . . . .
H8C H 0.205809 0.037881 0.289879 0.056 Uiso 1 1 calc GR . . . .
C9A C 0.2640(6) -0.04491(18) 0.05136(18) 0.080(2) Uani 0.802(8) 1 d . . P A 1
H9AA H 0.324716 -0.071232 0.057692 0.120 Uiso 0.802(8) 1 calc GR . P A 1
H9AB H 0.260238 -0.026840 0.010374 0.120 Uiso 0.802(8) 1 calc GR . P A 1
H9AC H 0.201192 -0.068462 0.054881 0.120 Uiso 0.802(8) 1 calc GR . P A 1
C10A C 0.3028(9) 0.1788(5) 0.1083(3) 0.0429(12) Uani 0.802(8) 1 d . . P A 1
H10A H 0.310513 0.180537 0.064297 0.064 Uiso 0.802(8) 1 calc R . P A 1
H10B H 0.240334 0.200735 0.116332 0.064 Uiso 0.802(8) 1 calc R . P A 1
H10C H 0.363488 0.197041 0.131624 0.064 Uiso 0.802(8) 1 calc R . P A 1
C4B C 0.242(2) -0.0063(13) 0.1518(12) 0.0333(9) Uani 0.198(8) 1 d . . P A 2
H4B H 0.231715 -0.047540 0.160362 0.040 Uiso 0.198(8) 1 calc R . P A 2
C5B C 0.2309(19) 0.0110(9) 0.0932(9) 0.0467(11) Uani 0.198(8) 1 d . . P A 2
C6B C 0.2429(18) 0.0700(9) 0.0783(9) 0.0448(11) Uani 0.198(8) 1 d . . P A 2
H6B H 0.235811 0.081364 0.036293 0.054 Uiso 0.198(8) 1 calc R . P A 2
C7B C 0.265(2) 0.1135(15) 0.1224(14) 0.0290(10) Uani 0.198(8) 1 d . . P A 2
C9B C 0.191(3) -0.0384(8) 0.0414(8) 0.080(2) Uani 0.198(8) 1 d . . P A 2
H9BA H 0.186872 -0.019738 0.000666 0.120 Uiso 0.198(8) 1 calc R . P A 2
H9BB H 0.240370 -0.071968 0.043241 0.120 Uiso 0.198(8) 1 calc R . P A 2
H9BC H 0.122911 -0.053219 0.049023 0.120 Uiso 0.198(8) 1 calc R . P A 2
C10B C 0.294(4) 0.180(2) 0.0973(16) 0.0429(12) Uani 0.198(8) 1 d . . P A 2
H10D H 0.308048 0.207665 0.132129 0.064 Uiso 0.198(8) 1 calc R . P A 2
H10E H 0.355026 0.177271 0.075051 0.064 Uiso 0.198(8) 1 calc R . P A 2
H10F H 0.235224 0.195547 0.069573 0.064 Uiso 0.198(8) 1 calc R . P A 2
C11 C 0.27254(14) 0.41569(8) 0.33595(9) 0.0206(4) Uani 1 1 d . . . . .
C12 C 0.25559(16) 0.48027(8) 0.31255(8) 0.0225(4) Uani 1 1 d . . . . .
C13 C 0.15305(17) 0.50126(9) 0.29249(10) 0.0293(4) Uani 1 1 d . . . . .
C14 C 0.14044(19) 0.56186(10) 0.27185(10) 0.0353(5) Uani 1 1 d . . . . .
H14 H 0.072780 0.576207 0.258780 0.042 Uiso 1 1 calc R . . . .
C15 C 0.2253(2) 0.60119(9) 0.27022(9) 0.0348(5) Uani 1 1 d . . . . .
C16 C 0.32568(19) 0.57917(9) 0.28980(9) 0.0305(4) Uani 1 1 d . . . . .
H16 H 0.383245 0.605298 0.288769 0.037 Uiso 1 1 calc R . . . .
C17 C 0.34327(17) 0.51922(9) 0.31097(9) 0.0251(4) Uani 1 1 d . . . . .
C18 C 0.05747(18) 0.46053(11) 0.29278(14) 0.0433(6) Uani 1 1 d . . . . .
H18A H 0.054439 0.432650 0.258003 0.065 Uiso 1 1 calc GR . . . .
H18B H -0.005273 0.485303 0.289295 0.065 Uiso 1 1 calc GR . . . .
H18C H 0.062340 0.437688 0.331239 0.065 Uiso 1 1 calc GR . . . .
C19 C 0.2097(3) 0.66693(11) 0.24919(12) 0.0496(7) Uani 1 1 d . . . . .
H19A H 0.139780 0.671904 0.228005 0.074 Uiso 1 1 calc GR . . . .
H19B H 0.260817 0.677203 0.221139 0.074 Uiso 1 1 calc GR . . . .
H19C H 0.218630 0.693513 0.285051 0.074 Uiso 1 1 calc GR . . . .
C20 C 0.45474(17) 0.49861(10) 0.33125(11) 0.0322(4) Uani 1 1 d . . . . .
H20A H 0.467704 0.499977 0.376146 0.048 Uiso 1 1 calc GR . . . .
H20B H 0.503472 0.525313 0.313440 0.048 Uiso 1 1 calc GR . . . .
H20C H 0.464090 0.457390 0.317081 0.048 Uiso 1 1 calc GR . . . .
C21 C 0.17371(14) 0.16144(8) 0.45685(8) 0.0190(3) Uani 1 1 d . . . . .
C22 C 0.09819(14) 0.13147(8) 0.49626(8) 0.0189(3) Uani 1 1 d . . . . .
C23 C 0.12190(15) 0.12986(8) 0.56152(9) 0.0215(4) Uani 1 1 d . . . . .
C24 C 0.05102(16) 0.10053(9) 0.59678(9) 0.0257(4) Uani 1 1 d . . . . .
H24 H 0.065990 0.099023 0.640154 0.031 Uiso 1 1 calc R . . . .
C25 C -0.04128(16) 0.07352(9) 0.56896(10) 0.0274(4) Uani 1 1 d . . . . .
C26 C -0.06181(15) 0.07552(9) 0.50411(10) 0.0268(4) Uani 1 1 d . . . . .
H26 H -0.123010 0.057108 0.485052 0.032 Uiso 1 1 calc R . . . .
C27 C 0.00601(14) 0.10408(8) 0.46676(9) 0.0226(4) Uani 1 1 d . . . . .
C28 C 0.22144(17) 0.15856(10) 0.59347(9) 0.0302(4) Uani 1 1 d . . . . .
H28A H 0.281673 0.141990 0.576005 0.045 Uiso 1 1 calc GR . . . .
H28B H 0.227073 0.149780 0.637548 0.045 Uiso 1 1 calc GR . . . .
H28C H 0.218920 0.202163 0.587190 0.045 Uiso 1 1 calc GR . . . .
C29 C -0.11803(19) 0.04289(11) 0.60786(12) 0.0392(5) Uani 1 1 d . . . . .
H29A H -0.083135 0.033999 0.648813 0.059 Uiso 1 1 calc GR . . . .
H29B H -0.143036 0.005404 0.587935 0.059 Uiso 1 1 calc GR . . . .
H29C H -0.176778 0.069769 0.611570 0.059 Uiso 1 1 calc GR . . . .
C30 C -0.01929(16) 0.10582(10) 0.39639(10) 0.0305(4) Uani 1 1 d . . . . .
H30A H -0.024150 0.147700 0.382528 0.046 Uiso 1 1 calc GR . . . .
H30B H -0.085459 0.085493 0.384754 0.046 Uiso 1 1 calc GR . . . .
H30C H 0.035656 0.085369 0.377151 0.046 Uiso 1 1 calc GR . . . .
C31 C 0.57974(14) 0.28446(8) 0.44485(8) 0.0201(4) Uani 1 1 d . . . . .
C32 C 0.68116(15) 0.29062(9) 0.48689(8) 0.0221(4) Uani 1 1 d . . . . .
C33 C 0.69058(16) 0.33506(10) 0.53420(9) 0.0296(4) Uani 1 1 d . . . . .
C34 C 0.78722(18) 0.34010(12) 0.57175(10) 0.0375(5) Uani 1 1 d . . . . .
H34 H 0.795312 0.370429 0.602376 0.045 Uiso 1 1 calc R . . . .
C35 C 0.87123(17) 0.30126(13) 0.56467(10) 0.0387(5) Uani 1 1 d . . . . .
C36 C 0.85816(16) 0.25608(11) 0.51896(11) 0.0346(5) Uani 1 1 d . . . . .
H36 H 0.913480 0.229087 0.514611 0.041 Uiso 1 1 calc R . . . .
C37 C 0.76407(15) 0.25005(10) 0.47930(9) 0.0264(4) Uani 1 1 d . . . . .
C38 C 0.59866(19) 0.37542(13) 0.54629(12) 0.0461(6) Uani 1 1 d . . . . .
H38A H 0.559337 0.386336 0.507110 0.069 Uiso 1 1 calc GR . . . .
H38B H 0.624632 0.411945 0.567742 0.069 Uiso 1 1 calc GR . . . .
H38C H 0.553514 0.353653 0.571712 0.069 Uiso 1 1 calc GR . . . .
C39 C 0.9751(2) 0.30748(18) 0.60600(14) 0.0615(9) Uani 1 1 d . . . . .
H39A H 1.016944 0.339043 0.589634 0.092 Uiso 1 1 calc GR . . . .
H39B H 1.012653 0.269239 0.606781 0.092 Uiso 1 1 calc GR . . . .
H39C H 0.961492 0.318084 0.647787 0.092 Uiso 1 1 calc GR . . . .
C40 C 0.75287(18) 0.20017(10) 0.43084(11) 0.0352(5) Uani 1 1 d . . . . .
H40A H 0.692447 0.175348 0.436745 0.053 Uiso 1 1 calc GR . . . .
H40B H 0.815273 0.175101 0.435001 0.053 Uiso 1 1 calc GR . . . .
H40C H 0.743739 0.218153 0.389764 0.053 Uiso 1 1 calc GR . . . .
N1 N 0.00598(12) 0.29460(8) 0.30177(8) 0.0248(3) Uani 1 1 d D . . . .
C41 C -0.06210(16) 0.30495(10) 0.34379(10) 0.0291(4) Uani 1 1 d D . . . .
H41 H -0.039813 0.297984 0.385931 0.035 Uiso 1 1 calc R . . . .
C42 C -0.16444(16) 0.32561(10) 0.32739(12) 0.0336(5) Uani 1 1 d D . . . .
H42 H -0.209437 0.332781 0.357954 0.040 Uiso 1 1 calc R . . . .
C43 C -0.19818(16) 0.33530(10) 0.26501(12) 0.0346(5) Uani 1 1 d D . . . .
H43 H -0.266651 0.348809 0.252743 0.042 Uiso 1 1 calc R . . . .
C44 C -0.12911(17) 0.32473(10) 0.22093(11) 0.0330(5) Uani 1 1 d D . . . .
H44 H -0.150087 0.330793 0.178485 0.040 Uiso 1 1 calc R . . . .
C45 C -0.02748(16) 0.30481(9) 0.24144(10) 0.0274(4) Uani 1 1 d D . . . .
H45 H 0.019452 0.298273 0.211804 0.033 Uiso 1 1 calc R . . . .
N2 N 0.49690(12) 0.31650(7) 0.20987(7) 0.0224(3) Uani 1 1 d . . . . .
C46 C 0.49383(16) 0.37444(9) 0.18899(9) 0.0263(4) Uani 1 1 d . . . . .
H46 H 0.452546 0.402711 0.207774 0.032 Uiso 1 1 calc R . . . .
C47 C 0.54950(17) 0.39428(10) 0.14054(10) 0.0318(4) Uani 1 1 d . . . . .
H47 H 0.545768 0.434977 0.127469 0.038 Uiso 1 1 calc R . . . .
C48 C 0.61047(16) 0.35244(11) 0.11214(9) 0.0308(4) Uani 1 1 d . . . . .
H48 H 0.648488 0.364489 0.079608 0.037 Uiso 1 1 calc R . . . .
C49 C 0.61398(16) 0.29261(10) 0.13283(9) 0.0277(4) Uani 1 1 d . . . . .
H49 H 0.654139 0.263415 0.114510 0.033 Uiso 1 1 calc R . . . .
C50 C 0.55634(16) 0.27691(9) 0.18155(9) 0.0258(4) Uani 1 1 d . . . . .
H50 H 0.559133 0.236447 0.195395 0.031 Uiso 1 1 calc R . . . .
N3 N 0.52709(12) 0.08923(7) 0.40048(7) 0.0225(3) Uani 1 1 d . . . . .
C51 C 0.58163(16) 0.06554(9) 0.35638(9) 0.0264(4) Uani 1 1 d . . . . .
H51 H 0.565001 0.078573 0.315214 0.032 Uiso 1 1 calc R . . . .
C52 C 0.66177(16) 0.02252(9) 0.36872(10) 0.0289(4) Uani 1 1 d . . . . .
H52 H 0.698319 0.007568 0.336701 0.035 Uiso 1 1 calc R . . . .
C53 C 0.68590(15) 0.00246(9) 0.42978(10) 0.0289(4) Uani 1 1 d . . . . .
H53 H 0.738881 -0.026443 0.439648 0.035 Uiso 1 1 calc R . . . .
C54 C 0.62976(16) 0.02620(9) 0.47584(10) 0.0280(4) Uani 1 1 d . . . . .
H54 H 0.644178 0.013441 0.517255 0.034 Uiso 1 1 calc R . . . .
C55 C 0.55164(15) 0.06932(9) 0.45929(9) 0.0250(4) Uani 1 1 d . . . . .
H55 H 0.514425 0.085207 0.490580 0.030 Uiso 1 1 calc R . . . .
N4 N 0.0194(8) 0.4512(5) 0.4427(5) 0.119(3) Uiso 0.5 1 d D . P B -1
C56 C -0.0084(9) 0.5126(5) 0.4388(5) 0.1023(14) Uiso 0.5 1 d D . P B -1
H56 H -0.003353 0.532258 0.400786 0.123 Uiso 0.5 1 calc R . P B -1
C57 C -0.0435(9) 0.5476(5) 0.4873(5) 0.1023(14) Uiso 0.5 1 d D . P B -1
H57 H -0.062163 0.588612 0.481098 0.123 Uiso 0.5 1 calc R . P B -1
C58 C -0.0494(9) 0.5199(5) 0.5439(5) 0.1023(14) Uiso 0.5 1 d D . P B -1
H58 H -0.078761 0.540037 0.576108 0.123 Uiso 0.5 1 calc R . P B -1
C59 C -0.0103(9) 0.4609(5) 0.5517(5) 0.1023(14) Uiso 0.5 1 d D . P B -1
H59 H -0.003984 0.443709 0.591572 0.123 Uiso 0.5 1 calc R . P B -1
C60 C 0.0210(9) 0.4253(5) 0.5010(5) 0.1023(14) Uiso 0.5 1 d D . P B -1
H60 H 0.042233 0.384729 0.507452 0.123 Uiso 0.5 1 calc R . 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 Ag2 3.02629(17) . ?
Ag1 Ag4 2.79450(17) . ?
Ag1 S1 2.4768(5) . ?
Ag1 S3 2.6027(4) . ?
Ag1 S5 2.6550(4) . ?
Ag1 N1 2.3860(16) . ?
Ag2 Ag3 2.92427(17) . ?
Ag2 Ag4 3.08837(17) . ?
Ag2 S2 2.5643(4) . ?
Ag2 S3 2.5563(4) . ?
Ag2 S7 2.5346(4) . ?
Ag2 N2 2.4802(15) . ?
Ag3 Ag4 2.98904(18) . ?
Ag3 S2 2.5218(4) . ?
Ag3 S6 2.4895(4) . ?
Ag3 S8 2.5819(4) . ?
Ag3 N3 2.4974(15) . ?
Ag4 S4 2.4786(5) . ?
Ag4 S5 2.5323(4) . ?
Ag4 S8 2.4950(4) . ?
S1 C1 1.6596(18) . ?
S2 C1 1.7089(18) . ?
S3 C11 1.7059(18) . ?
S4 C11 1.6649(19) . ?
S5 C21 1.7039(18) . ?
S6 C21 1.6631(18) . ?
S7 C31 1.6662(18) . ?
S8 C31 1.7067(19) . ?
C1 C2 1.493(2) . ?
C2 C3 1.403(3) . ?
C2 C7A 1.386(7) . ?
C2 C7B 1.47(3) . ?
C3 C4A 1.357(6) . ?
C3 C8 1.502(3) . ?
C3 C4B 1.52(3) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.400(7) . ?
C5A C6A 1.391(6) . ?
C5A C9A 1.506(5) . ?
C6A H6A 0.9300 . ?
C6A C7A 1.400(8) . ?
C7A C10A 1.495(13) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9A H9AA 0.9600 . ?
C9A H9AB 0.9600 . ?
C9A H9AC 0.9600 . ?
C10A H10A 0.9600 . ?
C10A H10B 0.9600 . ?
C10A H10C 0.9600 . ?
C4B H4B 0.9300 . ?
C4B C5B 1.31(3) . ?
C5B C6B 1.34(3) . ?
C5B C9B 1.59(2) . ?
C6B H6B 0.9300 . ?
C6B C7B 1.35(4) . ?
C7B C10B 1.61(6) . ?
C9B H9BA 0.9600 . ?
C9B H9BB 0.9600 . ?
C9B H9BC 0.9600 . ?
C10B H10D 0.9600 . ?
C10B H10E 0.9600 . ?
C10B H10F 0.9600 . ?
C11 C12 1.502(2) . ?
C12 C13 1.405(3) . ?
C12 C17 1.405(3) . ?
C13 C14 1.397(3) . ?
C13 C18 1.506(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.382(4) . ?
C15 C16 1.386(3) . ?
C15 C19 1.509(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.393(3) . ?
C17 C20 1.506(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.498(2) . ?
C22 C23 1.400(3) . ?
C22 C27 1.404(3) . ?
C23 C24 1.394(3) . ?
C23 C28 1.508(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.389(3) . ?
C25 C26 1.388(3) . ?
C25 C29 1.508(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.388(3) . ?
C27 C30 1.510(3) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.497(2) . ?
C32 C33 1.399(3) . ?
C32 C37 1.400(3) . ?
C33 C34 1.399(3) . ?
C33 C38 1.509(3) . ?
C34 H34 0.9300 . ?
C34 C35 1.385(4) . ?
C35 C36 1.387(4) . ?
C35 C39 1.515(3) . ?
C36 H36 0.9300 . ?
C36 C37 1.397(3) . ?
C37 C40 1.500(3) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
N1 C41 1.337(3) . ?
N1 C45 1.337(3) . ?
C41 H41 0.9300 . ?
C41 C42 1.386(3) . ?
C42 H42 0.9300 . ?
C42 C43 1.377(3) . ?
C43 H43 0.9300 . ?
C43 C44 1.380(3) . ?
C44 H44 0.9300 . ?
C44 C45 1.389(3) . ?
C45 H45 0.9300 . ?
N2 C46 1.339(3) . ?
N2 C50 1.337(3) . ?
C46 H46 0.9300 . ?
C46 C47 1.390(3) . ?
C47 H47 0.9300 . ?
C47 C48 1.382(3) . ?
C48 H48 0.9300 . ?
C48 C49 1.377(3) . ?
C49 H49 0.9300 . ?
C49 C50 1.385(3) . ?
C50 H50 0.9300 . ?
N3 C51 1.337(3) . ?
N3 C55 1.339(2) . ?
C51 H51 0.9300 . ?
C51 C52 1.389(3) . ?
C52 H52 0.9300 . ?
C52 C53 1.384(3) . ?
C53 H53 0.9300 . ?
C53 C54 1.382(3) . ?
C54 H54 0.9300 . ?
C54 C55 1.386(3) . ?
C55 H55 0.9300 . ?
N4 C56 1.383(12) . ?
N4 C60 1.371(11) . ?
C56 H56 0.9300 . ?
C56 C57 1.404(12) . ?
C57 H57 0.9300 . ?
C57 C58 1.366(12) . ?
C58 H58 0.9300 . ?
C58 C59 1.383(12) . ?
C59 H59 0.9300 . ?
C59 C60 1.428(12) . ?
C60 H60 0.9300 . ?

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
Ag4 Ag1 Ag2 63.943(4) . . ?
S1 Ag1 Ag2 93.349(11) . . ?
S1 Ag1 Ag4 134.331(12) . . ?
S1 Ag1 S3 116.539(15) . . ?
S1 Ag1 S5 114.028(16) . . ?
S3 Ag1 Ag2 53.377(10) . . ?
S3 Ag1 Ag4 82.433(10) . . ?
S3 Ag1 S5 128.617(14) . . ?
S5 Ag1 Ag2 115.828(10) . . ?
S5 Ag1 Ag4 55.309(10) . . ?
N1 Ag1 Ag2 144.35(4) . . ?
N1 Ag1 Ag4 126.68(4) . . ?
N1 Ag1 S1 95.37(4) . . ?
N1 Ag1 S3 92.13(4) . . ?
N1 Ag1 S5 91.77(4) . . ?
Ag1 Ag2 Ag4 54.378(4) . . ?
Ag3 Ag2 Ag1 70.012(4) . . ?
Ag3 Ag2 Ag4 59.546(4) . . ?
S2 Ag2 Ag1 84.572(10) . . ?
S2 Ag2 Ag3 54.226(10) . . ?
S2 Ag2 Ag4 110.506(10) . . ?
S3 Ag2 Ag1 54.797(10) . . ?
S3 Ag2 Ag3 123.375(11) . . ?
S3 Ag2 Ag4 77.546(10) . . ?
S3 Ag2 S2 124.347(14) . . ?
S7 Ag2 Ag1 131.223(11) . . ?
S7 Ag2 Ag3 88.513(11) . . ?
S7 Ag2 Ag4 76.893(11) . . ?
S7 Ag2 S2 118.047(15) . . ?
S7 Ag2 S3 117.379(15) . . ?
N2 Ag2 Ag1 133.95(4) . . ?
N2 Ag2 Ag3 138.77(4) . . ?
N2 Ag2 Ag4 158.62(4) . . ?
N2 Ag2 S2 90.70(4) . . ?
N2 Ag2 S3 93.02(4) . . ?
N2 Ag2 S7 91.00(4) . . ?
Ag2 Ag3 Ag4 62.959(4) . . ?
S2 Ag3 Ag2 55.587(10) . . ?
S2 Ag3 Ag4 114.986(10) . . ?
S2 Ag3 S8 136.359(14) . . ?
S6 Ag3 Ag2 138.713(11) . . ?
S6 Ag3 Ag4 92.564(11) . . ?
S6 Ag3 S2 119.989(15) . . ?
S6 Ag3 S8 103.137(15) . . ?
S6 Ag3 N3 90.16(4) . . ?
S8 Ag3 Ag2 88.140(10) . . ?
S8 Ag3 Ag4 52.597(10) . . ?
N3 Ag3 Ag2 129.00(4) . . ?
N3 Ag3 Ag4 146.46(4) . . ?
N3 Ag3 S2 92.09(4) . . ?
N3 Ag3 S8 94.28(4) . . ?
Ag1 Ag4 Ag2 61.679(4) . . ?
Ag1 Ag4 Ag3 72.283(5) . . ?
Ag3 Ag4 Ag2 57.496(4) . . ?
S4 Ag4 Ag1 95.249(12) . . ?
S4 Ag4 Ag2 88.223(11) . . ?
S4 Ag4 Ag3 145.592(12) . . ?
S4 Ag4 S5 115.600(16) . . ?
S4 Ag4 S8 125.952(16) . . ?
S5 Ag4 Ag1 59.549(10) . . ?
S5 Ag4 Ag2 117.646(11) . . ?
S5 Ag4 Ag3 86.173(10) . . ?
S8 Ag4 Ag1 127.513(11) . . ?
S8 Ag4 Ag2 86.146(11) . . ?
S8 Ag4 Ag3 55.290(11) . . ?
S8 Ag4 S5 114.431(15) . . ?
C1 S1 Ag1 111.46(6) . . ?
Ag3 S2 Ag2 70.186(11) . . ?
C1 S2 Ag2 113.66(6) . . ?
C1 S2 Ag3 103.14(6) . . ?
Ag2 S3 Ag1 71.826(11) . . ?
C11 S3 Ag1 109.26(6) . . ?
C11 S3 Ag2 107.54(6) . . ?
C11 S4 Ag4 106.30(7) . . ?
Ag4 S5 Ag1 65.143(11) . . ?
C21 S5 Ag1 107.43(6) . . ?
C21 S5 Ag4 112.13(6) . . ?
C21 S6 Ag3 110.94(7) . . ?
C31 S7 Ag2 112.68(7) . . ?
Ag4 S8 Ag3 72.114(12) . . ?
C31 S8 Ag3 105.62(6) . . ?
C31 S8 Ag4 100.07(6) . . ?
S1 C1 S2 128.94(11) . . ?
C2 C1 S1 116.25(13) . . ?
C2 C1 S2 114.81(13) . . ?
C3 C2 C1 119.49(16) . . ?
C3 C2 C7B 118.6(13) . . ?
C7A C2 C1 119.4(3) . . ?
C7A C2 C3 121.1(3) . . ?
C7B C2 C1 120.1(13) . . ?
C2 C3 C8 120.95(17) . . ?
C2 C3 C4B 113.2(10) . . ?
C4A C3 C2 119.8(3) . . ?
C4A C3 C8 119.2(3) . . ?
C8 C3 C4B 124.9(11) . . ?
C3 C4A H4A 119.4 . . ?
C3 C4A C5A 121.2(4) . . ?
C5A C4A H4A 119.4 . . ?
C4A C5A C9A 120.9(4) . . ?
C6A C5A C4A 118.2(4) . . ?
C6A C5A C9A 120.9(4) . . ?
C5A C6A H6A 119.0 . . ?
C5A C6A C7A 122.0(4) . . ?
C7A C6A H6A 119.0 . . ?
C2 C7A C6A 117.6(5) . . ?
C2 C7A C10A 121.2(5) . . ?
C6A C7A C10A 121.1(5) . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5A C9A H9AA 109.5 . . ?
C5A C9A H9AB 109.5 . . ?
C5A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C7A C10A H10A 109.5 . . ?
C7A C10A H10B 109.5 . . ?
C7A C10A H10C 109.5 . . ?
H10A C10A H10B 109.5 . . ?
H10A C10A H10C 109.5 . . ?
H10B C10A H10C 109.5 . . ?
C3 C4B H4B 117.8 . . ?
C5B C4B C3 124(2) . . ?
C5B C4B H4B 117.8 . . ?
C4B C5B C6B 120(2) . . ?
C4B C5B C9B 118(2) . . ?
C6B C5B C9B 121.3(17) . . ?
C5B C6B H6B 119.0 . . ?
C5B C6B C7B 122(2) . . ?
C7B C6B H6B 119.0 . . ?
C2 C7B C10B 122(2) . . ?
C6B C7B C2 121(2) . . ?
C6B C7B C10B 116(3) . . ?
C5B C9B H9BA 109.5 . . ?
C5B C9B H9BB 109.5 . . ?
C5B C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C7B C10B H10D 109.5 . . ?
C7B C10B H10E 109.5 . . ?
C7B C10B H10F 109.5 . . ?
H10D C10B H10E 109.5 . . ?
H10D C10B H10F 109.5 . . ?
H10E C10B H10F 109.5 . . ?
S4 C11 S3 127.80(11) . . ?
C12 C11 S3 115.30(13) . . ?
C12 C11 S4 116.89(13) . . ?
C13 C12 C11 120.13(18) . . ?
C13 C12 C17 120.60(18) . . ?
C17 C12 C11 119.27(17) . . ?
C12 C13 C18 122.01(19) . . ?
C14 C13 C12 118.4(2) . . ?
C14 C13 C18 119.6(2) . . ?
C13 C14 H14 118.9 . . ?
C15 C14 C13 122.1(2) . . ?
C15 C14 H14 118.9 . . ?
C14 C15 C16 118.32(19) . . ?
C14 C15 C19 121.3(2) . . ?
C16 C15 C19 120.4(2) . . ?
C15 C16 H16 118.9 . . ?
C15 C16 C17 122.2(2) . . ?
C17 C16 H16 118.9 . . ?
C12 C17 C20 122.54(18) . . ?
C16 C17 C12 118.35(19) . . ?
C16 C17 C20 119.11(19) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
S6 C21 S5 129.38(11) . . ?
C22 C21 S5 114.68(13) . . ?
C22 C21 S6 115.93(13) . . ?
C23 C22 C21 119.64(16) . . ?
C23 C22 C27 121.19(17) . . ?
C27 C22 C21 119.15(16) . . ?
C22 C23 C28 121.47(17) . . ?
C24 C23 C22 118.23(17) . . ?
C24 C23 C28 120.30(17) . . ?
C23 C24 H24 119.1 . . ?
C25 C24 C23 121.88(18) . . ?
C25 C24 H24 119.1 . . ?
C24 C25 C29 121.2(2) . . ?
C26 C25 C24 118.34(18) . . ?
C26 C25 C29 120.4(2) . . ?
C25 C26 H26 118.9 . . ?
C27 C26 C25 122.17(18) . . ?
C27 C26 H26 118.9 . . ?
C22 C27 C30 121.08(17) . . ?
C26 C27 C22 118.19(18) . . ?
C26 C27 C30 120.73(18) . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C29 H29A 109.5 . . ?
C25 C29 H29B 109.5 . . ?
C25 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
S7 C31 S8 127.70(11) . . ?
C32 C31 S7 118.17(14) . . ?
C32 C31 S8 114.14(13) . . ?
C33 C32 C31 119.93(17) . . ?
C33 C32 C37 121.08(18) . . ?
C37 C32 C31 118.96(17) . . ?
C32 C33 C38 121.49(18) . . ?
C34 C33 C32 118.2(2) . . ?
C34 C33 C38 120.3(2) . . ?
C33 C34 H34 119.0 . . ?
C35 C34 C33 122.0(2) . . ?
C35 C34 H34 119.0 . . ?
C34 C35 C36 118.52(19) . . ?
C34 C35 C39 121.0(3) . . ?
C36 C35 C39 120.4(3) . . ?
C35 C36 H36 119.1 . . ?
C35 C36 C37 121.7(2) . . ?
C37 C36 H36 119.1 . . ?
C32 C37 C40 121.53(18) . . ?
C36 C37 C32 118.4(2) . . ?
C36 C37 C40 120.02(19) . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C35 C39 H39A 109.5 . . ?
C35 C39 H39B 109.5 . . ?
C35 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C41 N1 Ag1 125.00(13) . . ?
C41 N1 C45 117.67(17) . . ?
C45 N1 Ag1 117.32(13) . . ?
N1 C41 H41 118.5 . . ?
N1 C41 C42 123.0(2) . . ?
C42 C41 H41 118.5 . . ?
C41 C42 H42 120.6 . . ?
C43 C42 C41 118.7(2) . . ?
C43 C42 H42 120.6 . . ?
C42 C43 H43 120.4 . . ?
C42 C43 C44 119.15(19) . . ?
C44 C43 H43 120.4 . . ?
C43 C44 H44 120.8 . . ?
C43 C44 C45 118.4(2) . . ?
C45 C44 H44 120.8 . . ?
N1 C45 C44 123.1(2) . . ?
N1 C45 H45 118.5 . . ?
C44 C45 H45 118.5 . . ?
C46 N2 Ag2 122.44(13) . . ?
C50 N2 Ag2 120.34(13) . . ?
C50 N2 C46 116.99(17) . . ?
N2 C46 H46 118.5 . . ?
N2 C46 C47 123.04(19) . . ?
C47 C46 H46 118.5 . . ?
C46 C47 H47 120.6 . . ?
C48 C47 C46 118.8(2) . . ?
C48 C47 H47 120.6 . . ?
C47 C48 H48 120.6 . . ?
C49 C48 C47 118.87(19) . . ?
C49 C48 H48 120.6 . . ?
C48 C49 H49 120.8 . . ?
C48 C49 C50 118.46(19) . . ?
C50 C49 H49 120.8 . . ?
N2 C50 C49 123.84(19) . . ?
N2 C50 H50 118.1 . . ?
C49 C50 H50 118.1 . . ?
C51 N3 Ag3 124.20(13) . . ?
C51 N3 C55 117.16(17) . . ?
C55 N3 Ag3 118.21(12) . . ?
N3 C51 H51 118.2 . . ?
N3 C51 C52 123.57(19) . . ?
C52 C51 H51 118.2 . . ?
C51 C52 H52 120.8 . . ?
C53 C52 C51 118.40(19) . . ?
C53 C52 H52 120.8 . . ?
C52 C53 H53 120.6 . . ?
C54 C53 C52 118.73(18) . . ?
C54 C53 H53 120.6 . . ?
C53 C54 H54 120.6 . . ?
C53 C54 C55 118.90(19) . . ?
C55 C54 H54 120.6 . . ?
N3 C55 C54 123.23(18) . . ?
N3 C55 H55 118.4 . . ?
C54 C55 H55 118.4 . . ?
C60 N4 C56 115.6(9) . . ?
N4 C56 H56 117.2 . . ?
N4 C56 C57 125.5(10) . . ?
C57 C56 H56 117.2 . . ?
C56 C57 H57 120.9 . . ?
C58 C57 C56 118.2(10) . . ?
C58 C57 H57 120.9 . . ?
C57 C58 H58 121.2 . . ?
C57 C58 C59 117.6(10) . . ?
C59 C58 H58 121.2 . . ?
C58 C59 H59 118.6 . . ?
C58 C59 C60 122.8(10) . . ?
C60 C59 H59 118.6 . . ?
N4 C60 C59 119.5(10) . . ?
N4 C60 H60 120.2 . . ?
C59 C60 H60 120.2 . . ?

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 S2 8.41(14) . . . . ?
Ag1 S1 C1 C2 -172.34(11) . . . . ?
Ag1 S3 C11 S4 33.37(14) . . . . ?
Ag1 S3 C11 C12 -147.63(12) . . . . ?
Ag1 S5 C21 S6 38.20(14) . . . . ?
Ag1 S5 C21 C22 -140.49(12) . . . . ?
Ag1 N1 C41 C42 178.68(16) . . . . ?
Ag1 N1 C45 C44 -179.65(16) . . . . ?
Ag2 S2 C1 S1 -28.89(14) . . . . ?
Ag2 S2 C1 C2 151.85(11) . . . . ?
Ag2 S3 C11 S4 -42.97(14) . . . . ?
Ag2 S3 C11 C12 136.03(12) . . . . ?
Ag2 S7 C31 S8 -12.78(15) . . . . ?
Ag2 S7 C31 C32 166.98(12) . . . . ?
Ag2 N2 C46 C47 173.98(15) . . . . ?
Ag2 N2 C50 C49 -174.38(15) . . . . ?
Ag3 S2 C1 S1 44.99(13) . . . . ?
Ag3 S2 C1 C2 -134.27(12) . . . . ?
Ag3 S6 C21 S5 11.16(15) . . . . ?
Ag3 S6 C21 C22 -170.16(11) . . . . ?
Ag3 S8 C31 S7 39.89(14) . . . . ?
Ag3 S8 C31 C32 -139.88(12) . . . . ?
Ag3 N3 C51 C52 171.67(15) . . . . ?
Ag3 N3 C55 C54 -172.67(15) . . . . ?
Ag4 S4 C11 S3 -1.63(14) . . . . ?
Ag4 S4 C11 C12 179.38(12) . . . . ?
Ag4 S5 C21 S6 -31.44(15) . . . . ?
Ag4 S5 C21 C22 149.87(11) . . . . ?
Ag4 S8 C31 S7 -34.19(13) . . . . ?
Ag4 S8 C31 C32 146.04(12) . . . . ?
S1 C1 C2 C3 -80.4(2) . . . . ?
S1 C1 C2 C7A 100.9(3) . . . . ?
S1 C1 C2 C7B 84.2(12) . . . . ?
S2 C1 C2 C3 98.93(19) . . . . ?
S2 C1 C2 C7A -79.8(3) . . . . ?
S2 C1 C2 C7B -96.5(12) . . . . ?
S3 C11 C12 C13 73.5(2) . . . . ?
S3 C11 C12 C17 -106.52(17) . . . . ?
S4 C11 C12 C13 -107.43(18) . . . . ?
S4 C11 C12 C17 72.6(2) . . . . ?
S5 C21 C22 C23 -89.14(18) . . . . ?
S5 C21 C22 C27 92.49(18) . . . . ?
S6 C21 C22 C23 91.99(18) . . . . ?
S6 C21 C22 C27 -86.38(18) . . . . ?
S7 C31 C32 C33 96.2(2) . . . . ?
S7 C31 C32 C37 -85.9(2) . . . . ?
S8 C31 C32 C33 -84.0(2) . . . . ?
S8 C31 C32 C37 93.86(19) . . . . ?
C1 C2 C3 C4A 178.6(3) . . . . ?
C1 C2 C3 C8 -4.2(3) . . . . ?
C1 C2 C3 C4B 165.5(12) . . . . ?
C1 C2 C7A C6A -178.4(3) . . . . ?
C1 C2 C7A C10A -3.1(7) . . . . ?
C1 C2 C7B C6B -167.2(17) . . . . ?
C1 C2 C7B C10B 25(3) . . . . ?
C2 C3 C4A C5A -0.1(6) . . . . ?
C2 C3 C4B C5B 1(3) . . . . ?
C3 C2 C7A C6A 2.9(4) . . . . ?
C3 C2 C7A C10A 178.2(5) . . . . ?
C3 C2 C7B C6B -2(3) . . . . ?
C3 C2 C7B C10B -171(3) . . . . ?
C3 C4A C5A C6A 2.5(7) . . . . ?
C3 C4A C5A C9A -177.3(4) . . . . ?
C3 C4B C5B C6B -1(4) . . . . ?
C3 C4B C5B C9B -175(2) . . . . ?
C4A C5A C6A C7A -2.2(6) . . . . ?
C5A C6A C7A C2 -0.4(6) . . . . ?
C5A C6A C7A C10A -175.7(6) . . . . ?
C7A C2 C3 C4A -2.7(4) . . . . ?
C7A C2 C3 C8 174.5(3) . . . . ?
C8 C3 C4A C5A -177.3(3) . . . . ?
C8 C3 C4B C5B 170(2) . . . . ?
C9A C5A C6A C7A 177.5(4) . . . . ?
C4B C5B C6B C7B -1(4) . . . . ?
C5B C6B C7B C2 3(3) . . . . ?
C5B C6B C7B C10B 171(3) . . . . ?
C7B C2 C3 C8 -169.0(12) . . . . ?
C7B C2 C3 C4B 0.6(17) . . . . ?
C9B C5B C6B C7B 172(2) . . . . ?
C11 C12 C13 C14 179.15(18) . . . . ?
C11 C12 C13 C18 -0.8(3) . . . . ?
C11 C12 C17 C16 -179.25(17) . . . . ?
C11 C12 C17 C20 0.7(3) . . . . ?
C12 C13 C14 C15 0.5(3) . . . . ?
C13 C12 C17 C16 0.8(3) . . . . ?
C13 C12 C17 C20 -179.26(18) . . . . ?
C13 C14 C15 C16 0.0(3) . . . . ?
C13 C14 C15 C19 -178.5(2) . . . . ?
C14 C15 C16 C17 -0.1(3) . . . . ?
C15 C16 C17 C12 -0.3(3) . . . . ?
C15 C16 C17 C20 179.78(19) . . . . ?
C17 C12 C13 C14 -0.9(3) . . . . ?
C17 C12 C13 C18 179.2(2) . . . . ?
C18 C13 C14 C15 -179.6(2) . . . . ?
C19 C15 C16 C17 178.46(19) . . . . ?
C21 C22 C23 C24 -178.71(17) . . . . ?
C21 C22 C23 C28 0.9(3) . . . . ?
C21 C22 C27 C26 178.73(16) . . . . ?
C21 C22 C27 C30 -1.6(3) . . . . ?
C22 C23 C24 C25 -0.2(3) . . . . ?
C23 C22 C27 C26 0.4(3) . . . . ?
C23 C22 C27 C30 -179.92(17) . . . . ?
C23 C24 C25 C26 0.8(3) . . . . ?
C23 C24 C25 C29 -178.97(19) . . . . ?
C24 C25 C26 C27 -0.8(3) . . . . ?
C25 C26 C27 C22 0.2(3) . . . . ?
C25 C26 C27 C30 -179.50(18) . . . . ?
C27 C22 C23 C24 -0.4(3) . . . . ?
C27 C22 C23 C28 179.28(18) . . . . ?
C28 C23 C24 C25 -179.88(18) . . . . ?
C29 C25 C26 C27 178.98(19) . . . . ?
C31 C32 C33 C34 -178.87(19) . . . . ?
C31 C32 C33 C38 3.0(3) . . . . ?
C31 C32 C37 C36 -179.73(18) . . . . ?
C31 C32 C37 C40 -1.0(3) . . . . ?
C32 C33 C34 C35 -2.3(3) . . . . ?
C33 C32 C37 C36 -1.9(3) . . . . ?
C33 C32 C37 C40 176.9(2) . . . . ?
C33 C34 C35 C36 -0.2(3) . . . . ?
C33 C34 C35 C39 -179.8(2) . . . . ?
C34 C35 C36 C37 1.7(3) . . . . ?
C35 C36 C37 C32 -0.7(3) . . . . ?
C35 C36 C37 C40 -179.5(2) . . . . ?
C37 C32 C33 C34 3.3(3) . . . . ?
C37 C32 C33 C38 -174.7(2) . . . . ?
C38 C33 C34 C35 175.8(2) . . . . ?
C39 C35 C36 C37 -178.7(2) . . . . ?
N1 C41 C42 C43 0.7(3) . . . . ?
C41 N1 C45 C44 -0.8(3) . . . . ?
C41 C42 C43 C44 -0.6(3) . . . . ?
C42 C43 C44 C45 -0.2(3) . . . . ?
C43 C44 C45 N1 1.0(3) . . . . ?
C45 N1 C41 C42 -0.1(3) . . . . ?
N2 C46 C47 C48 0.4(3) . . . . ?
C46 N2 C50 C49 0.2(3) . . . . ?
C46 C47 C48 C49 0.0(3) . . . . ?
C47 C48 C49 C50 -0.2(3) . . . . ?
C48 C49 C50 N2 0.1(3) . . . . ?
C50 N2 C46 C47 -0.5(3) . . . . ?
N3 C51 C52 C53 0.8(3) . . . . ?
C51 N3 C55 C54 0.2(3) . . . . ?
C51 C52 C53 C54 -0.3(3) . . . . ?
C52 C53 C54 C55 -0.2(3) . . . . ?
C53 C54 C55 N3 0.3(3) . . . . ?
C55 N3 C51 C52 -0.7(3) . . . . ?
N4 C56 C57 C58 1.3(18) . . . . ?
C56 N4 C60 C59 3.1(16) . . . . ?
C56 C57 C58 C59 6.4(17) . . . . ?
C57 C58 C59 C60 -9.5(18) . . . . ?
C58 C59 C60 N4 4.6(18) . . . . ?
C60 N4 C56 C57 -6.1(17) . . . . ?

_olex2_date_sample_data_collection 2016-09-27
_olex2_date_sample_submission    1474408800
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.213
_oxdiff_exptl_absorpt_empirical_full_min 0.777
####################################################################### 
# 
# 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_glatthor40
_database_code_depnum_ccdc_archive 'CCDC 1813123'
_audit_update_record             
;
2017-12-22 deposited with the CCDC.
2018-03-12 downloaded from the CCDC.
;
_audit_creation_date             2017-07-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C48 H69 Ag3 S6)'
_chemical_formula_sum            'C96 H138 Ag6 S12'
_chemical_formula_weight         2324.00
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C100 H140 Ag6 S30'
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'
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           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.8463(2)
_cell_length_b                   15.5737(3)
_cell_length_c                   31.3910(3)
_cell_angle_alpha                90.7961(12)
_cell_angle_beta                 100.7434(10)
_cell_angle_gamma                110.6845(17)
_cell_volume                     6645.9(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    57567
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      75.6720
_cell_measurement_theta_min      3.0240
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.955
_exptl_absorpt_correction_T_max  0.816
_exptl_absorpt_correction_T_min  0.078
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.15e (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.161
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2376
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 1 0 0.0282
0 0 1 0.0219
0 0 -1 0.0219
1 0 0 0.1528
-1 0 0 0.1528
0 -1 0 0.0282

_exptl_crystal_size_max          0.364
_exptl_crystal_size_mid          0.056
_exptl_crystal_size_min          0.044
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.0047 1.0003 0.0092 -0.0184 -0.0493 0.0925
0.0026 -0.0056 0.9970 0.0396 -0.0304 -0.0036
-0.0026 0.0056 -0.9970 -0.0396 0.0304 0.0036
1.0009 -0.0048 0.0025 0.0675 0.0396 0.0819
-1.0009 0.0048 -0.0025 -0.0675 -0.0396 -0.0819
-0.0047 -1.0003 -0.0092 0.0184 0.0493 -0.0925

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0674
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            150620
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.127
_diffrn_reflns_theta_min         2.876
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3114
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -83.00 -33.00   1.00   12.50    --  -26.35 -57.00-180.00   50
  2  ω   -104.00 -25.00   1.00   12.50    --  -26.35 -19.00-120.00   79
  3  ω    -83.00 -11.00   1.00   12.50    --  -26.35 -77.00   0.00   72
  4  ω    -47.00   3.00   1.00   12.50    --  -26.35 -77.00-180.00   50
  5  ω    -93.00 -59.00   1.00   12.50    --  -26.35 -37.00 150.00   34
  6  ω    -55.00  -4.00   1.00   12.50    --  -26.35 -37.00 150.00   51
  7  ω    -90.00 -38.00   1.00   12.50    --  -26.35 -77.00 120.00   52
  8  ω    -73.00  49.00   1.00   12.50    --  -26.35   0.00  30.00  122
  9  ω    -94.00 -54.00   1.00   12.50    --  -26.35 -57.00  60.00   40
 10  ω    -28.00  47.00   1.00   12.50    --  -26.35  77.00  90.00   75
 11  ω    -15.00  11.00   1.00   12.50    --  -26.35 -19.00-120.00   26
 12  ω    -81.00  -2.00   1.00   12.50    --  -26.35 125.00   1.00   79
 13  ω    -29.00   0.00   1.00   12.50    --  -26.35 -57.00-180.00   29
 14  ω    -37.00   4.00   1.00   12.50    --  -26.35 -77.00-120.00   41
 15  ω    -94.00  -9.00   1.00   12.50    --  -26.35 -57.00   0.00   85
 16  ω    -29.00  -3.00   1.00   12.50    --  -26.35 -77.00 120.00   26
 17  ω    -94.00 -68.00   1.00   12.50    --  -26.35 145.00 168.00   26
 18  ω    -77.00 -24.00   1.00   12.50    --  -26.35 -57.00 -60.00   53
 19  ω    -85.00 -57.00   1.00   12.50    --  -26.35 -77.00-180.00   28
 20  ω    -48.00 -12.00   1.00   12.50    --  -26.35 -57.00  60.00   36
 21  ω   -110.00 -35.00   1.00   12.50    --  -26.35-178.00  90.00   75
 22  ω    -81.00  -3.00   1.00   12.50    --  -26.35 -77.00 -60.00   78
 23  ω    -39.00  -1.00   1.00   12.50    --  -26.35 -77.00  60.00   38
 24  ω    -99.00 -44.00   1.00   12.50    --  -26.35 -77.00  60.00   55
 25  ω    -87.00 -56.00   1.00   12.50    --  -26.35 -77.00-120.00   31
 26  ω    -49.00 -14.00   1.00   12.50    --  -26.35 145.00 168.00   35
 27  ω   -113.00 -86.00   1.00   12.50    --  -26.35   0.00  30.00   27
 28  ω    -91.00 -27.00   1.00   12.50    --  -26.35 -37.00  90.00   64
 29  ω     62.00 111.00   1.00   12.50    --   26.35-178.00  60.00   49
 30  ω     67.00 112.00   1.00   12.50    --   26.35-178.00  30.00   45
 31  ω      5.00  65.00   1.00   12.50    --   26.35 -99.00-180.00   60
 32  ω     38.00  92.00   1.00   50.00    --  111.00 -77.00  90.00   54
 33  ω    117.00 176.00   1.00   50.00    --  111.00  77.00 150.00   59
 34  ω     82.00 109.00   1.00   50.00    --  111.00  66.00-176.86   27
 35  ω     34.00 104.00   1.00   50.00    --  111.00 -94.00  30.00   70
 36  ω     42.00 138.00   1.00   50.00    --  111.00 -61.00-150.00   96
 37  ω     81.00 115.00   1.00   50.00    --  111.00  71.00 -81.61   34
 38  ω     82.00 109.00   1.00   50.00    --  111.00  68.00 -88.41   27
 39  ω     83.00 113.00   1.00   50.00    --  111.00  61.00 -60.00   30
 40  ω     83.00 121.00   1.00   50.00    --  111.00-125.00 -76.00   38
 41  ω     81.00 108.00   1.00   50.00    --  111.00  72.00-165.92   27
 42  ω    129.00 176.00   1.00   50.00    --  111.00  71.00-103.26   47
 43  ω     81.00 108.00   1.00   50.00    --  111.00  71.00-103.26   27
 44  ω    151.00 178.00   1.00   50.00    --  111.00  75.00  57.35   27
 45  ω     85.00 177.00   1.00   50.00    --  111.00  54.00  60.65   92
 46  ω     83.00 110.00   1.00   50.00    --  111.00  62.00   3.52   27
 47  ω    113.00 177.00   1.00   50.00    --  111.00  77.00   0.00   64
 48  ω     41.00 118.00   1.00   50.00    --  111.00-125.00-150.00   77
 49  ω     83.00 110.00   1.00   50.00    --  111.00  61.00   0.00   27
 50  ω     83.00 110.00   1.00   50.00    --  111.00  61.00-150.00   27
 51  ω     83.00 110.00   1.00   50.00    --  111.00  61.00  90.00   27
 52  ω     83.00 110.00   1.00   50.00    --  111.00  61.00-180.00   27
 53  ω     80.00 107.00   1.00   50.00    --  111.00  77.00   0.00   27
 54  ω    118.00 146.00   1.00   50.00    --  111.00  61.00 -60.00   28
 55  ω     83.00 111.00   1.00   50.00    --  111.00  61.00  30.00   28
 56  ω     87.00 114.00   1.00   50.00    --  111.00  45.00-120.00   27
 57  ω     87.00 114.00   1.00   50.00    --  111.00  45.00 150.00   27
 58  ω     80.00 106.00   1.00   50.00    --  111.00  77.00 150.00   26
 59  ω    125.00 174.00   1.00   50.00    --  111.00  75.00-131.53   49
 60  ω     83.00 110.00   1.00   50.00    --  111.00  61.00-120.00   27
 61  ω     80.00 107.00   1.00   50.00    --  111.00  75.00-131.53   27
 62  ω     83.00 110.00   1.00   50.00    --  111.00  61.00 -30.00   27
 63  ω     80.00 107.00   1.00   50.00    --  111.00  75.00  57.35   27
 64  ω     81.00 107.00   1.00   50.00    --  111.00  77.00-180.00   26
 65  ω     84.00 111.00   1.00   50.00    --  111.00  58.00 -40.47   27
 66  ω     83.00 110.00   1.00   50.00    --  111.00  61.00 120.00   27
 67  ω     49.00 121.00   1.00   50.00    --  111.00-125.00  30.00   72
 68  ω    145.00 173.00   1.00   50.00    --  111.00  61.00  97.59   28
 69  ω     85.00 112.00   1.00   50.00    --  111.00  55.00 -99.26   27
 70  ω     89.00 178.00   1.00   50.00    --  111.00  38.00 131.25   89
 71  ω     83.00 110.00   1.00   50.00    --  111.00  61.00 150.00   27
 72  ω     80.00 118.00   1.00   50.00    --  111.00  77.00  90.00   38
 73  ω    121.00 160.00   1.00   50.00    --  111.00  77.00-150.00   39
 74  ω     83.00 110.00   1.00   50.00    --  111.00  61.00  97.59   27
 75  ω    117.00 178.00   1.00   50.00    --  111.00  77.00  30.00   61
 76  ω     80.00 107.00   1.00   50.00    --  111.00  77.00  30.00   27
 77  ω     80.00 107.00   1.00   50.00    --  111.00  77.00-150.00   27
 78  ω     80.00 107.00   1.00   50.00    --  111.00  77.00 120.00   27
 79  ω     87.00 114.00   1.00   50.00    --  111.00  45.00   0.00   27
 80  ω     40.00 119.00   1.00   50.00    --  111.00-125.00 120.00   79
 81  ω     87.00 177.00   1.00   50.00    --  111.00  30.00 -90.00   90
 82  ω     81.00 178.00   1.00   50.00    --  111.00  71.00 -50.29   97
 83  ω     81.00 107.00   1.00   50.00    --  111.00  70.00  51.62   26
 84  ω    110.00 178.00   1.00   50.00    --  111.00  77.00-180.00   68
 85  ω     88.00 116.00   1.00   50.00    --  111.00  40.00-176.60   28
 86  ω     80.00 107.00   1.00   50.00    --  111.00  77.00-120.00   27
 87  ω    113.00 178.00   1.00   50.00    --  111.00  77.00 -30.00   65
 88  ω     80.00 107.00   1.00   50.00    --  111.00  77.00 -30.00   27
 89  ω     83.00 110.00   1.00   50.00    --  111.00  64.00-169.43   27
 90  ω     80.00 107.00   1.00   50.00    --  111.00  77.00  60.00   27
 91  ω     87.00 114.00   1.00   50.00    --  111.00  45.00  30.00   27
 92  ω     80.00 107.00   1.00   50.00    --  111.00 -94.00 -60.00   27
 93  ω     96.00 121.00   1.00   50.00    --  111.00-125.00-180.00   25
 94  ω     40.00  80.00   1.00   50.00    --  111.00-125.00-180.00   40
 95  ω    112.00 139.00   1.00   50.00    --  111.00 -77.00  90.00   27
 96  ω     80.00 107.00   1.00   50.00    --  111.00  76.00 124.11   27
 97  ω     86.00 115.00   1.00   50.00    --  111.00  48.00-174.27   29
 98  ω     84.00 156.00   1.00   50.00    --  111.00  58.00 -49.57   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0672256000
_diffrn_orient_matrix_UB_12      -0.0190887000
_diffrn_orient_matrix_UB_13      0.0393933000
_diffrn_orient_matrix_UB_21      0.0394151000
_diffrn_orient_matrix_UB_22      -0.0491607000
_diffrn_orient_matrix_UB_23      -0.0308464000
_diffrn_orient_matrix_UB_31      0.0822612000
_diffrn_orient_matrix_UB_32      0.0921079000
_diffrn_orient_matrix_UB_33      -0.0032872000
_diffrn_oxdiff_ac3_digest_frames 
;
01382d2d7271cf1a408d0596c8be2bbc960204108e5
;
_diffrn_oxdiff_ac3_digest_hkl    
;
01a40d92501f7e69c8191789cb3877cad0fc06
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                21922
_reflns_number_total             26172
_reflns_odcompleteness_completeness 99.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     36.60
_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 1.171.39.15e (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.15e (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.15e (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 (Sheldrick, 2015)'
_refine_diff_density_max         1.529
_refine_diff_density_min         -1.410
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1074
_refine_ls_number_reflns         26172
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0607
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0811P)²+36.4818P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1651
_refine_ls_wR_factor_ref         0.1718
_refine_special_details          
;
Disordered CS2 as solvent was squeezed using the Olex2 routine.

Miller array info: C:\XcaliburData\glatthor40\struct\olex2_glatthor40\glatthor40.hkl:Iobs,SigIobs
Observation type: xray.intensity
Type of data: double, size=153503
Type of sigmas: double, size=153503
Number of Miller indices: 153503
Anomalous flag: False
Unit cell: (14.8463, 15.5737, 31.391, 90.7961, 100.743, 110.684)
Space group: P -1 (No. 2)
Systematic absences: 0
Centric reflections: 153503
Resolution range: 15.3622 0.791678

use_set_completion: True
solvent_radius: 1.20
shrink_truncation_radius: 1.20
van der Waals radii:
   Ag     C     H     S
 1.72  1.70  1.09  1.80

Total solvent accessible volume / cell = 2316.0 Ang^3 [34.8%]
Total electron count / cell = 712.7

gridding: (75,80,160)
Void #Grid points Vol/A^3 Vol/%  Centre of mass (frac)   Eigenvectors (frac)
   1       334549  2316.0  34.8  (-0.255,-0.946,-0.431)  1  ( 0.940,-0.306, 0.153)
                                                         2  ( 0.342, 0.848,-0.405)
                                                         3  (-0.006, 0.433, 0.902)

Void  Vol/Ang^3  #Electrons
   1     2316.0        712.7





Disorder over two sites of C(29) (68:32), C(44), C(45) (64:36), C(62), C(63), 
C(64) (65:35), C(72), C(73), C(74) (59:41), C(77) (76:24), C(91), 
C(92), C(93) (54:46).
;





_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(C28) = Uanis(C29A) = Uanis(C29B)
Uanis(C44A) = Uanis(C45A) = Uanis(C44B) = Uanis(C45B)
Uanis(C62A) = Uanis(C62B)
Uanis(C63A) = Uanis(C64A) = Uanis(C63B) = Uanis(C64B)
Uanis(C72A) = Uanis(C72B)
Uanis(C73A) = Uanis(C74A) = Uanis(C73B) = Uanis(C74B)
Uanis(C91A) = Uanis(C91B)
Uanis(C92B) = Uanis(C92A) = Uanis(C93A) = Uanis(C93B)
3. Others
 Sof(H27A)=Sof(C29B)=Sof(H29D)=Sof(H29E)=Sof(H29F)=1-FVAR(1)
 Sof(H27)=Sof(C29A)=Sof(H29A)=Sof(H29B)=Sof(H29C)=FVAR(1)
 Sof(H43A)=Sof(C44B)=Sof(H44D)=Sof(H44E)=Sof(H44F)=Sof(C45B)=Sof(H45D)=
 Sof(H45E)=Sof(H45F)=1-FVAR(2)
 Sof(H43)=Sof(C44A)=Sof(H44A)=Sof(H44B)=Sof(H44C)=Sof(C45A)=Sof(H45A)=
 Sof(H45B)=Sof(H45C)=FVAR(2)
 Sof(C62B)=Sof(H62B)=Sof(C63B)=Sof(H63D)=Sof(H63E)=Sof(H63F)=Sof(C64B)=
 Sof(H64D)=Sof(H64E)=Sof(H64F)=1-FVAR(3)
 Sof(C62A)=Sof(H62A)=Sof(C63A)=Sof(H63A)=Sof(H63B)=Sof(H63C)=Sof(C64A)=
 Sof(H64A)=Sof(H64B)=Sof(H64C)=FVAR(3)
 Sof(C72B)=Sof(H72B)=Sof(C73B)=Sof(H73D)=Sof(H73E)=Sof(H73F)=Sof(C74B)=
 Sof(H74D)=Sof(H74E)=Sof(H74F)=1-FVAR(4)
 Sof(C72A)=Sof(H72A)=Sof(C73A)=Sof(H73A)=Sof(H73B)=Sof(H73C)=Sof(C74A)=
 Sof(H74A)=Sof(H74B)=Sof(H74C)=FVAR(4)
 Sof(H75A)=Sof(C77B)=Sof(H77D)=Sof(H77E)=Sof(H77F)=1-FVAR(5)
 Sof(H75)=Sof(C77A)=Sof(H77A)=Sof(H77B)=Sof(H77C)=FVAR(5)
 Sof(C91B)=Sof(H91B)=Sof(C92B)=Sof(H92D)=Sof(H92E)=Sof(H92F)=Sof(C93B)=
 Sof(H93D)=Sof(H93E)=Sof(H93F)=1-FVAR(6)
 Sof(C91A)=Sof(H91A)=Sof(C92A)=Sof(H92A)=Sof(H92B)=Sof(H92C)=Sof(C93A)=
 Sof(H93A)=Sof(H93B)=Sof(H93C)=FVAR(6)
4.a Ternary CH refined with riding coordinates:
 C8(H8), C11(H11), C14(H14), C24(H24), C27(H27), C27(H27A), C30(H30), C40(H40),
  C43(H43), C43(H43A), C46(H46), C56(H56), C59(H59), C62A(H62A), C62B(H62B),
 C72A(H72A), C72B(H72B), C75(H75), C75(H75A), C78(H78), C88(H88), C91A(H91A),
 C91B(H91B), C94(H94)
4.b Me refined with riding coordinates:
 C29A(H29A,H29B,H29C), C29B(H29D,H29E,H29F), C44A(H44A,H44B,H44C), C45A(H45A,
 H45B,H45C), C44B(H44D,H44E,H44F), C45B(H45D,H45E,H45F), C63A(H63A,H63B,H63C),
 C64A(H64A,H64B,H64C), C63B(H63D,H63E,H63F), C64B(H64D,H64E,H64F), C73A(H73A,
 H73B,H73C), C74A(H74A,H74B,H74C), C73B(H73D,H73E,H73F), C74B(H74D,H74E,H74F),
 C77A(H77A,H77B,H77C), C77B(H77D,H77E,H77F), C92A(H92A,H92B,H92C), C93A(H93A,
 H93B,H93C), C92B(H92D,H92E,H92F), C93B(H93D,H93E,H93F)
4.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C20(H20), C22(H22), C36(H36), C38(H38), C52(H52), C54(H54),
 C68(H68), C70(H70), C84(H84), C86(H86)
4.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C25(H25A,H25B,H25C), C26(H26A,
 H26B,H26C), C28(H28A,H28B,H28C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C),
 C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C47(H47A,H47B,H47C), C48(H48A,H48B,
 H48C), C57(H57A,H57B,H57C), C58(H58A,H58B,H58C), C60(H60A,H60B,H60C), C61(H61A,
 H61B,H61C), C76(H76A,H76B,H76C), C79(H79A,H79B,H79C), C80(H80A,H80B,H80C),
 C89(H89A,H89B,H89C), C90(H90A,H90B,H90C), C95(H95A,H95B,H95C), C96(H96A,H96B,
 H96C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.42610(3) 0.44163(3) 0.05241(2) 0.03380(10) Uani 1 1 d . . . . .
Ag2 Ag 0.58787(3) 0.61594(3) 0.04659(2) 0.03399(11) Uani 1 1 d . . . . .
Ag3 Ag 0.62277(3) 0.45074(3) 0.01923(2) 0.03376(10) Uani 1 1 d . . . . .
S1 S 0.36490(11) 0.52887(12) 0.10094(5) 0.0382(3) Uani 1 1 d . . . . .
S2 S 0.54963(10) 0.32572(11) -0.04160(4) 0.0335(3) Uani 1 1 d . . . . .
S3 S 0.56908(10) 0.40116(12) 0.08870(4) 0.0348(3) Uani 1 1 d . . . . .
S4 S 0.66786(11) 0.60205(12) 0.12243(5) 0.0376(3) Uani 1 1 d . . . . .
S5 S 0.29603(9) 0.31368(11) 0.00234(5) 0.0318(3) Uani 1 1 d . . . . .
S6 S 0.80047(10) 0.54799(11) 0.02492(5) 0.0346(3) Uani 1 1 d . . . . .
C1 C 0.6079(4) 0.3687(5) -0.08343(18) 0.0380(15) Uani 1 1 d . . . . .
C2 C 0.6342(4) 0.2978(5) -0.10609(19) 0.0356(13) Uani 1 1 d . . . . .
C3 C 0.5670(4) 0.2392(5) -0.1417(2) 0.0390(14) Uani 1 1 d . . . . .
C4 C 0.5940(5) 0.1753(5) -0.1620(2) 0.0404(15) Uani 1 1 d . . . . .
H4 H 0.550063 0.137180 -0.185731 0.048 Uiso 1 1 calc R . . . .
C5 C 0.6837(5) 0.1662(5) -0.1484(2) 0.0369(13) Uani 1 1 d . . . . .
C6 C 0.7486(4) 0.2234(5) -0.1128(2) 0.0358(13) Uani 1 1 d . . . . .
H6 H 0.809405 0.217832 -0.103479 0.043 Uiso 1 1 calc R . . . .
C7 C 0.7258(4) 0.2889(5) -0.09056(18) 0.0345(13) Uani 1 1 d . . . . .
C8 C 0.4650(5) 0.2453(6) -0.1572(2) 0.0503(19) Uani 1 1 d . . . . .
H8 H 0.466351 0.303107 -0.143747 0.060 Uiso 1 1 calc R . . . .
C9 C 0.3872(5) 0.1672(8) -0.1418(3) 0.068(3) Uani 1 1 d . . . . .
H9A H 0.388726 0.109494 -0.152147 0.103 Uiso 1 1 calc GR . . . .
H9B H 0.323646 0.170020 -0.152958 0.103 Uiso 1 1 calc GR . . . .
H9C H 0.399744 0.172284 -0.110579 0.103 Uiso 1 1 calc GR . . . .
C10 C 0.4410(6) 0.2481(7) -0.2066(3) 0.065(2) Uani 1 1 d . . . . .
H10A H 0.492350 0.297868 -0.215281 0.097 Uiso 1 1 calc GR . . . .
H10B H 0.379685 0.257165 -0.214937 0.097 Uiso 1 1 calc GR . . . .
H10C H 0.436074 0.190912 -0.220597 0.097 Uiso 1 1 calc GR . . . .
C11 C 0.7118(5) 0.0957(5) -0.1720(2) 0.0461(16) Uani 1 1 d . . . . .
H11 H 0.768647 0.088221 -0.153124 0.055 Uiso 1 1 calc R . . . .
C12 C 0.6315(7) 0.0040(7) -0.1814(4) 0.077(3) Uani 1 1 d . . . . .
H12A H 0.617035 -0.020737 -0.154615 0.116 Uiso 1 1 calc GR . . . .
H12B H 0.651707 -0.036851 -0.197246 0.116 Uiso 1 1 calc GR . . . .
H12C H 0.573774 0.010166 -0.198610 0.116 Uiso 1 1 calc GR . . . .
C13 C 0.7431(7) 0.1343(7) -0.2134(3) 0.062(2) Uani 1 1 d . . . . .
H13A H 0.686269 0.133090 -0.234206 0.093 Uiso 1 1 calc GR . . . .
H13B H 0.773998 0.097586 -0.225282 0.093 Uiso 1 1 calc GR . . . .
H13C H 0.788634 0.196667 -0.206753 0.093 Uiso 1 1 calc GR . . . .
C14 C 0.7977(4) 0.3476(5) -0.0512(2) 0.0383(14) Uani 1 1 d . . . . .
H14 H 0.779119 0.400849 -0.046285 0.046 Uiso 1 1 calc R . . . .
C15 C 0.9036(4) 0.3839(6) -0.0567(2) 0.0483(18) Uani 1 1 d . . . . .
H15A H 0.925082 0.333275 -0.059883 0.072 Uiso 1 1 calc GR . . . .
H15B H 0.944405 0.424175 -0.031605 0.072 Uiso 1 1 calc GR . . . .
H15C H 0.908395 0.417382 -0.082192 0.072 Uiso 1 1 calc GR . . . .
C16 C 0.7885(5) 0.2931(6) -0.0109(2) 0.0509(18) Uani 1 1 d . . . . .
H16A H 0.722182 0.274407 -0.006508 0.076 Uiso 1 1 calc GR . . . .
H16B H 0.832697 0.331286 0.014139 0.076 Uiso 1 1 calc GR . . . .
H16C H 0.804733 0.239636 -0.015151 0.076 Uiso 1 1 calc GR . . . .
C17 C 0.6403(4) 0.4934(5) 0.12772(19) 0.0386(15) Uani 1 1 d . . . . .
C18 C 0.6787(4) 0.4622(5) 0.17028(18) 0.0342(13) Uani 1 1 d . . . . .
C19 C 0.7676(5) 0.4477(6) 0.1760(2) 0.0443(17) Uani 1 1 d . . . . .
C20 C 0.8037(5) 0.4223(6) 0.2160(2) 0.0497(18) Uani 1 1 d . . . . .
H20 H 0.863515 0.413630 0.220365 0.060 Uiso 1 1 calc R . . . .
C21 C 0.7521(5) 0.4094(6) 0.2499(2) 0.0449(16) Uani 1 1 d . . . . .
C22 C 0.6637(5) 0.4236(5) 0.2428(2) 0.0406(15) Uani 1 1 d . . . . .
H22 H 0.628862 0.415164 0.265140 0.049 Uiso 1 1 calc R . . . .
C23 C 0.6250(4) 0.4501(4) 0.20327(18) 0.0326(12) Uani 1 1 d . . . . .
C24 C 0.8257(6) 0.4581(8) 0.1399(2) 0.066(3) Uani 1 1 d . . . . .
H24 H 0.801094 0.493913 0.118477 0.080 Uiso 1 1 calc R . . . .
C25 C 0.8081(7) 0.3668(9) 0.1165(3) 0.080(3) Uani 1 1 d . . . . .
H25A H 0.831975 0.329656 0.136408 0.121 Uiso 1 1 calc GR . . . .
H25B H 0.842211 0.376762 0.092849 0.121 Uiso 1 1 calc GR . . . .
H25C H 0.738900 0.335734 0.105439 0.121 Uiso 1 1 calc GR . . . .
C26 C 0.9358(6) 0.5130(8) 0.1562(3) 0.068(3) Uani 1 1 d . . . . .
H26A H 0.944496 0.571053 0.170572 0.102 Uiso 1 1 calc GR . . . .
H26B H 0.968234 0.523465 0.132007 0.102 Uiso 1 1 calc GR . . . .
H26C H 0.963658 0.478743 0.176367 0.102 Uiso 1 1 calc GR . . . .
C27 C 0.7961(6) 0.3851(7) 0.2938(2) 0.057(2) Uani 1 1 d . . . . .
H27 H 0.750173 0.379707 0.313238 0.068 Uiso 0.68(2) 1 calc R . P A 1
H27A H 0.733403 0.358931 0.303294 0.068 Uiso 0.32(2) 1 calc R . P A 2
C28 C 0.8130(8) 0.2991(7) 0.2918(3) 0.069(2) Uani 1 1 d . . . . .
H28A H 0.757287 0.253132 0.273459 0.103 Uiso 1 1 calc GR . . . .
H28B H 0.822314 0.279066 0.320567 0.103 Uiso 1 1 calc GR . . . .
H28C H 0.870730 0.308031 0.280140 0.103 Uiso 1 1 calc GR . . . .
C29A C 0.8967(13) 0.4673(10) 0.3142(4) 0.069(2) Uani 0.68(2) 1 d . . P A 1
H29A H 0.884963 0.524034 0.315398 0.103 Uiso 0.68(2) 1 calc R . P A 1
H29B H 0.921558 0.455214 0.343026 0.103 Uiso 0.68(2) 1 calc R . P A 1
H29C H 0.943937 0.472181 0.296347 0.103 Uiso 0.68(2) 1 calc R . P A 1
C29B C 0.838(3) 0.452(2) 0.3263(9) 0.069(2) Uani 0.32(2) 1 d . . P A 2
H29D H 0.814826 0.501524 0.320025 0.103 Uiso 0.32(2) 1 calc R . P A 2
H29E H 0.820491 0.427841 0.352901 0.103 Uiso 0.32(2) 1 calc R . P A 2
H29F H 0.907962 0.473833 0.329413 0.103 Uiso 0.32(2) 1 calc R . P A 2
C30 C 0.5255(4) 0.4616(5) 0.1970(2) 0.0402(15) Uani 1 1 d . . . . .
H30 H 0.520994 0.498881 0.172349 0.048 Uiso 1 1 calc R . . . .
C31 C 0.5126(6) 0.5101(7) 0.2354(3) 0.059(2) Uani 1 1 d . . . . .
H31A H 0.510461 0.472404 0.259443 0.088 Uiso 1 1 calc GR . . . .
H31B H 0.452186 0.521335 0.228271 0.088 Uiso 1 1 calc GR . . . .
H31C H 0.566683 0.567639 0.243293 0.088 Uiso 1 1 calc GR . . . .
C32 C 0.4404(5) 0.3676(7) 0.1852(3) 0.063(2) Uani 1 1 d . . . . .
H32A H 0.454129 0.332425 0.163605 0.094 Uiso 1 1 calc GR . . . .
H32B H 0.380283 0.377140 0.173933 0.094 Uiso 1 1 calc GR . . . .
H32C H 0.433837 0.334670 0.210783 0.094 Uiso 1 1 calc GR . . . .
C33 C 0.8021(4) 0.6500(5) 0.01278(17) 0.0325(12) Uani 1 1 d . . . . .
C34 C 0.9002(4) 0.7283(4) 0.01497(18) 0.0301(12) Uani 1 1 d . . . . .
C35 C 0.9391(4) 0.7475(5) -0.02198(19) 0.0330(13) Uani 1 1 d . . . . .
C36 C 1.0256(4) 0.8222(5) -0.0198(2) 0.0357(13) Uani 1 1 d . . . . .
H36 H 1.052467 0.834587 -0.044561 0.043 Uiso 1 1 calc R . . . .
C37 C 1.0738(4) 0.8794(5) 0.0185(2) 0.0377(14) Uani 1 1 d . . . . .
C38 C 1.0340(4) 0.8581(5) 0.0556(2) 0.0365(13) Uani 1 1 d . . . . .
H38 H 1.066172 0.894885 0.081442 0.044 Uiso 1 1 calc R . . . .
C39 C 0.9474(4) 0.7833(5) 0.0550(2) 0.0362(13) Uani 1 1 d . . . . .
C40 C 0.8886(4) 0.6867(5) -0.0650(2) 0.0376(14) Uani 1 1 d . . . . .
H40 H 0.831369 0.635925 -0.059518 0.045 Uiso 1 1 calc R . . . .
C41 C 0.8515(6) 0.7412(6) -0.0989(2) 0.058(2) Uani 1 1 d . . . . .
H41A H 0.811624 0.768749 -0.087369 0.087 Uiso 1 1 calc GR . . . .
H41B H 0.812954 0.700806 -0.124361 0.087 Uiso 1 1 calc GR . . . .
H41C H 0.906452 0.788652 -0.106624 0.087 Uiso 1 1 calc GR . . . .
C42 C 0.9550(6) 0.6455(6) -0.0808(3) 0.0534(19) Uani 1 1 d . . . . .
H42A H 1.009016 0.693548 -0.088776 0.080 Uiso 1 1 calc GR . . . .
H42B H 0.918813 0.602482 -0.105607 0.080 Uiso 1 1 calc GR . . . .
H42C H 0.979798 0.614256 -0.057997 0.080 Uiso 1 1 calc GR . . . .
C43 C 1.1657(5) 0.9648(5) 0.0194(2) 0.0406(15) Uani 1 1 d . . . . .
H43 H 1.215436 0.946688 0.009184 0.049 Uiso 0.640(17) 1 calc R . P B 1
H43A H 1.197688 0.958306 -0.004477 0.049 Uiso 0.360(17) 1 calc R . P B 2
C44A C 1.1426(10) 1.0342(11) -0.0090(7) 0.066(3) Uani 0.640(17) 1 d . . P B 1
H44A H 1.201519 1.087032 -0.007858 0.099 Uiso 0.640(17) 1 calc R . P B 1
H44B H 1.117053 1.007213 -0.038472 0.099 Uiso 0.640(17) 1 calc R . P B 1
H44C H 1.094589 1.052756 0.001138 0.099 Uiso 0.640(17) 1 calc R . P B 1
C45A C 1.2130(11) 1.0223(11) 0.0669(6) 0.066(3) Uani 0.640(17) 1 d . . P B 1
H45A H 1.230383 0.983025 0.087542 0.099 Uiso 0.640(17) 1 calc R . P B 1
H45B H 1.270782 1.074137 0.065023 0.099 Uiso 0.640(17) 1 calc R . P B 1
H45C H 1.165803 1.043573 0.076063 0.099 Uiso 0.640(17) 1 calc R . P B 1
C44B C 1.1400(19) 1.0465(19) 0.0161(12) 0.066(3) Uani 0.360(17) 1 d . . P B 2
H44D H 1.198251 1.099720 0.016726 0.099 Uiso 0.360(17) 1 calc R . P B 2
H44E H 1.093978 1.040573 -0.010635 0.099 Uiso 0.360(17) 1 calc R . P B 2
H44F H 1.110891 1.053323 0.040221 0.099 Uiso 0.360(17) 1 calc R . P B 2
C45B C 1.2399(19) 0.987(2) 0.0632(10) 0.066(3) Uani 0.360(17) 1 d . . P B 2
H45D H 1.262446 0.937302 0.068909 0.099 Uiso 0.360(17) 1 calc R . P B 2
H45E H 1.294877 1.042531 0.061919 0.099 Uiso 0.360(17) 1 calc R . P B 2
H45F H 1.208542 0.996741 0.086067 0.099 Uiso 0.360(17) 1 calc R . P B 2
C46 C 0.9060(5) 0.7658(5) 0.0964(2) 0.0404(15) Uani 1 1 d . . . . .
H46 H 0.853497 0.704863 0.091268 0.048 Uiso 1 1 calc R . . . .
C47 C 0.9833(5) 0.7612(6) 0.1348(2) 0.0481(17) Uani 1 1 d . . . . .
H47A H 1.016524 0.723156 0.126029 0.072 Uiso 1 1 calc GR . . . .
H47B H 0.952054 0.735309 0.158237 0.072 Uiso 1 1 calc GR . . . .
H47C H 1.030134 0.822080 0.144361 0.072 Uiso 1 1 calc GR . . . .
C48 C 0.8600(6) 0.8328(7) 0.1054(3) 0.062(2) Uani 1 1 d . . . . .
H48A H 0.908325 0.894071 0.109074 0.093 Uiso 1 1 calc GR . . . .
H48B H 0.834596 0.819489 0.131550 0.093 Uiso 1 1 calc GR . . . .
H48C H 0.807248 0.828145 0.081506 0.093 Uiso 1 1 calc GR . . . .
Ag4 Ag 0.96431(3) 0.87412(4) 0.45398(2) 0.03944(12) Uani 1 1 d . . . . .
Ag5 Ag 0.91194(4) 1.03657(4) 0.44224(2) 0.04405(12) Uani 1 1 d . . . . .
Ag6 Ag 1.14085(4) 1.04472(4) 0.47709(2) 0.04082(12) Uani 1 1 d . . . . .
S7 S 0.98809(10) 0.87393(12) 0.37759(5) 0.0352(3) Uani 1 1 d . . . . .
S8 S 1.05526(11) 1.07677(12) 0.40549(5) 0.0367(3) Uani 1 1 d . . . . .
S9 S 0.79594(10) 0.81528(12) 0.47013(5) 0.0350(3) Uani 1 1 d . . . . .
S10 S 0.74609(13) 0.93467(15) 0.40140(5) 0.0477(4) Uani 1 1 d . . . . .
S11 S 1.07715(10) 0.82982(11) 0.51055(4) 0.0336(3) Uani 1 1 d . . . . .
S12 S 1.24935(11) 0.95215(11) 0.47468(5) 0.0359(3) Uani 1 1 d . . . . .
C49 C 1.0332(4) 0.9846(5) 0.36953(19) 0.0361(14) Uani 1 1 d . . . . .
C50 C 1.0604(5) 1.0115(5) 0.32671(19) 0.0386(14) Uani 1 1 d . . . . .
C51 C 0.9890(5) 1.0212(5) 0.2922(2) 0.0376(14) Uani 1 1 d . . . . .
C52 C 1.0164(5) 1.0516(5) 0.2542(2) 0.0466(16) Uani 1 1 d . . . . .
H52 H 0.968711 1.055421 0.231198 0.056 Uiso 1 1 calc R . . . .
C53 C 1.1114(6) 1.0766(6) 0.2487(2) 0.058(2) Uani 1 1 d . . . . .
C54 C 1.1806(6) 1.0626(8) 0.2823(2) 0.073(3) Uani 1 1 d . . . . .
H54 H 1.244539 1.075644 0.278451 0.088 Uiso 1 1 calc R . . . .
C55 C 1.1558(5) 1.0298(6) 0.3210(2) 0.053(2) Uani 1 1 d . . . . .
C56 C 0.8840(5) 1.0011(5) 0.2967(2) 0.0429(15) Uani 1 1 d . . . . .
H56 H 0.872943 0.964146 0.321522 0.051 Uiso 1 1 calc R . . . .
C57 C 0.8654(8) 1.0890(7) 0.3061(3) 0.072(3) Uani 1 1 d . . . . .
H57A H 0.915046 1.125910 0.330083 0.109 Uiso 1 1 calc GR . . . .
H57B H 0.801833 1.073271 0.313422 0.109 Uiso 1 1 calc GR . . . .
H57C H 0.867540 1.123019 0.280845 0.109 Uiso 1 1 calc GR . . . .
C58 C 0.8087(5) 0.9447(6) 0.2563(2) 0.0491(17) Uani 1 1 d . . . . .
H58A H 0.815185 0.980696 0.231667 0.074 Uiso 1 1 calc GR . . . .
H58B H 0.743447 0.928802 0.261615 0.074 Uiso 1 1 calc GR . . . .
H58C H 0.820726 0.889470 0.250369 0.074 Uiso 1 1 calc GR . . . .
C59 C 1.1357(7) 1.1137(8) 0.2055(3) 0.080(3) Uani 1 1 d . . . . .
H59 H 1.092700 1.148360 0.196295 0.096 Uiso 1 1 calc R . . . .
C60 C 1.1070(7) 1.0373(7) 0.1711(3) 0.065(2) Uani 1 1 d . . . . .
H60A H 1.144550 0.998785 0.179158 0.098 Uiso 1 1 calc GR . . . .
H60B H 1.119712 1.062150 0.144088 0.098 Uiso 1 1 calc GR . . . .
H60C H 1.038209 1.001411 0.167765 0.098 Uiso 1 1 calc GR . . . .
C61 C 1.2368(7) 1.1798(8) 0.2090(3) 0.075(3) Uani 1 1 d . . . . .
H61A H 1.247192 1.232588 0.228156 0.112 Uiso 1 1 calc GR . . . .
H61B H 1.246385 1.198931 0.180740 0.112 Uiso 1 1 calc GR . . . .
H61C H 1.282624 1.151073 0.220446 0.112 Uiso 1 1 calc GR . . . .
C62A C 1.2360(15) 1.010(2) 0.3555(7) 0.049(5) Uani 0.65(4) 1 d . . P C 1
H62A H 1.202006 0.979298 0.378005 0.058 Uiso 0.65(4) 1 calc R . P C 1
C63A C 1.2832(14) 0.950(2) 0.3411(6) 0.070(5) Uani 0.65(4) 1 d . . P C 1
H63A H 1.233625 0.892847 0.327505 0.105 Uiso 0.65(4) 1 calc R . P C 1
H63B H 1.322410 0.979314 0.320630 0.105 Uiso 0.65(4) 1 calc R . P C 1
H63C H 1.324470 0.937556 0.365797 0.105 Uiso 0.65(4) 1 calc R . P C 1
C64A C 1.3094(13) 1.103(2) 0.3774(7) 0.070(5) Uani 0.65(4) 1 d . . P C 1
H64A H 1.274689 1.139226 0.386117 0.105 Uiso 0.65(4) 1 calc R . P C 1
H64B H 1.350986 1.092439 0.402644 0.105 Uiso 0.65(4) 1 calc R . P C 1
H64C H 1.348927 1.134197 0.357477 0.105 Uiso 0.65(4) 1 calc R . P C 1
C62B C 1.234(3) 1.041(4) 0.3630(15) 0.049(5) Uani 0.35(4) 1 d . . P C 2
H62B H 1.203145 1.012520 0.386900 0.058 Uiso 0.35(4) 1 calc R . P C 2
C63B C 1.299(3) 0.985(4) 0.3481(13) 0.070(5) Uani 0.35(4) 1 d . . P C 2
H63D H 1.257285 0.922523 0.338977 0.105 Uiso 0.35(4) 1 calc R . P C 2
H63E H 1.327125 1.013710 0.324361 0.105 Uiso 0.35(4) 1 calc R . P C 2
H63F H 1.350193 0.987421 0.372124 0.105 Uiso 0.35(4) 1 calc R . P C 2
C64B C 1.305(3) 1.140(4) 0.3770(13) 0.070(5) Uani 0.35(4) 1 d . . P C 2
H64D H 1.351351 1.140837 0.403078 0.105 Uiso 0.35(4) 1 calc R . P C 2
H64E H 1.340538 1.163178 0.354262 0.105 Uiso 0.35(4) 1 calc R . P C 2
H64F H 1.269208 1.177869 0.382243 0.105 Uiso 0.35(4) 1 calc R . P C 2
C65 C 0.7229(4) 0.8392(6) 0.4260(2) 0.0425(17) Uani 1 1 d . . . . .
C66 C 0.6272(5) 0.7589(6) 0.4101(2) 0.0461(17) Uani 1 1 d . . . . .
C67 C 0.5459(5) 0.7518(7) 0.4276(3) 0.062(2) Uani 1 1 d . . . . .
C68 C 0.4604(5) 0.6748(8) 0.4133(3) 0.076(3) Uani 1 1 d . . . . .
H68 H 0.404568 0.669975 0.423948 0.091 Uiso 1 1 calc R . . . .
C69 C 0.4552(5) 0.6063(7) 0.3844(3) 0.065(2) Uani 1 1 d . . . . .
C70 C 0.5376(5) 0.6160(6) 0.3668(3) 0.054(2) Uani 1 1 d . . . . .
H70 H 0.534160 0.570727 0.346238 0.065 Uiso 1 1 calc R . . . .
C71 C 0.6238(5) 0.6907(6) 0.3790(2) 0.0466(17) Uani 1 1 d . . . . .
C72A C 0.5495(15) 0.8348(18) 0.4563(7) 0.047(5) Uani 0.59(3) 1 d . . P D 1
H72A H 0.610002 0.886713 0.455253 0.056 Uiso 0.59(3) 1 calc R . P D 1
C73A C 0.5557(15) 0.8055(17) 0.5024(7) 0.064(4) Uani 0.59(3) 1 d . . P D 1
H73A H 0.610600 0.785784 0.510023 0.097 Uiso 0.59(3) 1 calc R . P D 1
H73B H 0.564244 0.856568 0.522210 0.097 Uiso 0.59(3) 1 calc R . P D 1
H73C H 0.496157 0.755553 0.504090 0.097 Uiso 0.59(3) 1 calc R . P D 1
C74A C 0.4620(16) 0.8665(18) 0.4435(7) 0.064(4) Uani 0.59(3) 1 d . . P D 1
H74A H 0.458804 0.884833 0.414326 0.097 Uiso 0.59(3) 1 calc R . P D 1
H74B H 0.402185 0.816780 0.444998 0.097 Uiso 0.59(3) 1 calc R . P D 1
H74C H 0.470272 0.917796 0.463118 0.097 Uiso 0.59(3) 1 calc R . P D 1
C72B C 0.548(2) 0.806(3) 0.4684(10) 0.047(5) Uani 0.41(3) 1 d . . P D 2
H72B H 0.608918 0.859567 0.472047 0.056 Uiso 0.41(3) 1 calc R . P D 2
C73B C 0.552(2) 0.767(3) 0.5134(9) 0.064(4) Uani 0.41(3) 1 d . . P D 2
H73D H 0.602582 0.742188 0.518701 0.097 Uiso 0.41(3) 1 calc R . P D 2
H73E H 0.565170 0.816141 0.535508 0.097 Uiso 0.41(3) 1 calc R . P D 2
H73F H 0.489487 0.720057 0.514044 0.097 Uiso 0.41(3) 1 calc R . P D 2
C74B C 0.468(2) 0.847(2) 0.4585(10) 0.064(4) Uani 0.41(3) 1 d . . P D 2
H74D H 0.468231 0.881385 0.484074 0.097 Uiso 0.41(3) 1 calc R . P D 2
H74E H 0.480318 0.886783 0.435516 0.097 Uiso 0.41(3) 1 calc R . P D 2
H74F H 0.405153 0.798122 0.449551 0.097 Uiso 0.41(3) 1 calc R . P D 2
C75 C 0.3619(7) 0.5246(10) 0.3701(4) 0.088(4) Uani 1 1 d . . . . .
H75 H 0.309377 0.544408 0.376106 0.106 Uiso 0.760(18) 1 calc R . P E 1
H75A H 0.363074 0.501978 0.341034 0.106 Uiso 0.240(18) 1 calc R . P E 2
C76 C 0.3618(8) 0.4474(10) 0.3993(6) 0.117(6) Uani 1 1 d . . . . .
H76A H 0.413651 0.426418 0.395668 0.175 Uiso 1 1 calc GR . . . .
H76B H 0.299714 0.397277 0.391475 0.175 Uiso 1 1 calc GR . . . .
H76C H 0.372029 0.469850 0.429094 0.175 Uiso 1 1 calc GR . . . .
C77A C 0.3375(11) 0.5006(13) 0.3172(5) 0.099(6) Uani 0.760(18) 1 d . . P E 1
H77A H 0.277573 0.448128 0.308833 0.148 Uiso 0.760(18) 1 calc R . P E 1
H77B H 0.330352 0.552559 0.302843 0.148 Uiso 0.760(18) 1 calc R . P E 1
H77C H 0.390441 0.487055 0.308840 0.148 Uiso 0.760(18) 1 calc R . P E 1
C77B C 0.2731(15) 0.5179(14) 0.3693(9) 0.028(6) Uani 0.240(18) 1 d . . P E 2
H77D H 0.229248 0.456502 0.358537 0.041 Uiso 0.240(18) 1 calc R . P E 2
H77E H 0.266017 0.531065 0.398234 0.041 Uiso 0.240(18) 1 calc R . P E 2
H77F H 0.257438 0.561081 0.350637 0.041 Uiso 0.240(18) 1 calc R . P E 2
C78 C 0.7105(5) 0.7036(6) 0.3572(2) 0.0470(17) Uani 1 1 d . . . . .
H78 H 0.769370 0.745906 0.376874 0.056 Uiso 1 1 calc R . . . .
C79 C 0.6975(7) 0.7499(7) 0.3153(3) 0.059(2) Uani 1 1 d . . . . .
H79A H 0.641925 0.709137 0.294732 0.089 Uiso 1 1 calc GR . . . .
H79B H 0.755631 0.764046 0.303370 0.089 Uiso 1 1 calc GR . . . .
H79C H 0.686884 0.805743 0.321411 0.089 Uiso 1 1 calc GR . . . .
C80 C 0.7290(6) 0.6168(6) 0.3486(2) 0.054(2) Uani 1 1 d . . . . .
H80A H 0.739112 0.589478 0.375424 0.081 Uiso 1 1 calc GR . . . .
H80B H 0.786508 0.631147 0.336169 0.081 Uiso 1 1 calc GR . . . .
H80C H 0.673334 0.574360 0.328659 0.081 Uiso 1 1 calc GR . . . .
C81 C 1.1867(4) 0.8555(5) 0.49254(18) 0.0336(13) Uani 1 1 d . . . . .
C82 C 1.2207(4) 0.7754(4) 0.49574(19) 0.0307(12) Uani 1 1 d . . . . .
C83 C 1.1889(5) 0.7091(5) 0.46036(19) 0.0369(13) Uani 1 1 d . . . . .
C84 C 1.2134(6) 0.6300(5) 0.4659(2) 0.0464(16) Uani 1 1 d . . . . .
H84 H 1.191579 0.584460 0.442875 0.056 Uiso 1 1 calc R . . . .
C85 C 1.2696(6) 0.6174(5) 0.5047(2) 0.0504(18) Uani 1 1 d . . . . .
C86 C 1.3021(5) 0.6877(5) 0.5380(2) 0.0448(16) Uani 1 1 d . . . . .
H86 H 1.341545 0.681858 0.563687 0.054 Uiso 1 1 calc R . . . .
C87 C 1.2786(4) 0.7660(5) 0.53471(19) 0.0344(13) Uani 1 1 d . . . . .
C88 C 1.1266(5) 0.7172(5) 0.4176(2) 0.0428(15) Uani 1 1 d . . . . .
H88 H 1.126880 0.780226 0.418368 0.051 Uiso 1 1 calc R . . . .
C89 C 1.0220(6) 0.6541(7) 0.4125(3) 0.069(3) Uani 1 1 d . . . . .
H89A H 1.017765 0.591427 0.408602 0.103 Uiso 1 1 calc GR . . . .
H89B H 0.982857 0.667946 0.387503 0.103 Uiso 1 1 calc GR . . . .
H89C H 0.998039 0.662300 0.438018 0.103 Uiso 1 1 calc GR . . . .
C90 C 1.1689(8) 0.7040(8) 0.3784(2) 0.075(3) Uani 1 1 d . . . . .
H90A H 1.235307 0.746965 0.382046 0.112 Uiso 1 1 calc GR . . . .
H90B H 1.129796 0.714498 0.352444 0.112 Uiso 1 1 calc GR . . . .
H90C H 1.168338 0.642301 0.375983 0.112 Uiso 1 1 calc GR . . . .
C91A C 1.3038(14) 0.535(2) 0.5105(9) 0.050(5) Uani 0.538(13) 1 d . . P F 1
H91A H 1.279554 0.497757 0.482404 0.061 Uiso 0.538(13) 1 calc R . P F 1
C92A C 1.4126(14) 0.5578(13) 0.5210(6) 0.062(3) Uani 0.538(13) 1 d . . P F 1
H92A H 1.441834 0.594510 0.499377 0.093 Uiso 0.538(13) 1 calc R . P F 1
H92B H 1.439552 0.591666 0.549077 0.093 Uiso 0.538(13) 1 calc R . P F 1
H92C H 1.426182 0.501930 0.521315 0.093 Uiso 0.538(13) 1 calc R . P F 1
C93A C 1.2501(15) 0.4784(12) 0.5414(6) 0.062(3) Uani 0.538(13) 1 d . . P F 1
H93A H 1.181163 0.466889 0.532340 0.093 Uiso 0.538(13) 1 calc R . P F 1
H93B H 1.260436 0.420949 0.542141 0.093 Uiso 0.538(13) 1 calc R . P F 1
H93C H 1.273807 0.510685 0.569903 0.093 Uiso 0.538(13) 1 calc R . P F 1
C91B C 1.2632(17) 0.519(3) 0.5100(12) 0.050(5) Uani 0.462(13) 1 d . . P F 2
H91B H 1.249775 0.488178 0.480840 0.061 Uiso 0.462(13) 1 calc R . P F 2
C92B C 1.3722(17) 0.5235(15) 0.5352(7) 0.062(3) Uani 0.462(13) 1 d . . P F 2
H92D H 1.421236 0.561291 0.520462 0.093 Uiso 0.462(13) 1 calc R . P F 2
H92E H 1.385214 0.549480 0.564645 0.093 Uiso 0.462(13) 1 calc R . P F 2
H92F H 1.373844 0.462486 0.535315 0.093 Uiso 0.462(13) 1 calc R . P F 2
C93B C 1.1890(17) 0.4593(14) 0.5343(7) 0.062(3) Uani 0.462(13) 1 d . . P F 2
H93D H 1.193325 0.399278 0.535030 0.093 Uiso 0.462(13) 1 calc R . P F 2
H93E H 1.202361 0.486655 0.563437 0.093 Uiso 0.462(13) 1 calc R . P F 2
H93F H 1.124102 0.453974 0.519761 0.093 Uiso 0.462(13) 1 calc R . P F 2
C94 C 1.3131(5) 0.8389(5) 0.5734(2) 0.0367(13) Uani 1 1 d . . . . .
H94 H 1.290896 0.889159 0.564157 0.044 Uiso 1 1 calc R . . . .
C95 C 1.4248(5) 0.8791(6) 0.5863(2) 0.0469(17) Uani 1 1 d . . . . .
H95A H 1.449371 0.830450 0.592912 0.070 Uiso 1 1 calc GR . . . .
H95B H 1.444420 0.922333 0.611417 0.070 Uiso 1 1 calc GR . . . .
H95C H 1.451201 0.909964 0.562610 0.070 Uiso 1 1 calc GR . . . .
C96 C 1.2678(5) 0.8015(6) 0.6121(2) 0.0461(17) Uani 1 1 d . . . . .
H96A H 1.197539 0.782954 0.604035 0.069 Uiso 1 1 calc GR . . . .
H96B H 1.292406 0.848636 0.635866 0.069 Uiso 1 1 calc GR . . . .
H96C H 1.284758 0.749446 0.620837 0.069 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 2.9567(6) . ?
Ag1 Ag2 3.1711(6) 2_665 ?
Ag1 Ag3 3.2365(6) . ?
Ag1 Ag3 2.9576(6) 2_665 ?
Ag1 S1 2.5146(17) . ?
Ag1 S3 2.5029(15) . ?
Ag1 S5 2.4965(15) . ?
Ag2 Ag3 3.2193(6) 2_665 ?
Ag2 Ag3 2.9448(7) . ?
Ag2 S2 2.4924(15) 2_665 ?
Ag2 S4 2.5032(15) . ?
Ag2 S5 2.4963(14) 2_665 ?
Ag3 S2 2.4991(15) . ?
Ag3 S3 2.4996(14) . ?
Ag3 S6 2.5060(14) . ?
S1 C1 1.632(8) 2_665 ?
S2 C1 1.721(6) . ?
S3 C17 1.754(7) . ?
S4 C17 1.614(8) . ?
S5 C33 1.732(6) 2_665 ?
S6 C33 1.632(7) . ?
C1 C2 1.505(10) . ?
C2 C3 1.411(9) . ?
C2 C7 1.412(8) . ?
C3 C4 1.385(10) . ?
C3 C8 1.539(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.377(9) . ?
C5 C6 1.391(9) . ?
C5 C11 1.532(10) . ?
C6 H6 0.9300 . ?
C6 C7 1.398(9) . ?
C7 C14 1.513(8) . ?
C8 H8 0.9800 . ?
C8 C9 1.510(13) . ?
C8 C10 1.531(10) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11 0.9800 . ?
C11 C12 1.484(12) . ?
C11 C13 1.522(11) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14 0.9800 . ?
C14 C15 1.516(8) . ?
C14 C16 1.534(10) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.508(8) . ?
C18 C19 1.396(9) . ?
C18 C23 1.397(8) . ?
C19 C20 1.392(9) . ?
C19 C24 1.522(9) . ?
C20 H20 0.9300 . ?
C20 C21 1.400(10) . ?
C21 C22 1.384(10) . ?
C21 C27 1.525(9) . ?
C22 H22 0.9300 . ?
C22 C23 1.400(9) . ?
C23 C30 1.528(9) . ?
C24 H24 0.9800 . ?
C24 C25 1.506(15) . ?
C24 C26 1.535(12) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27 0.9800 . ?
C27 H27A 0.9800 . ?
C27 C28 1.450(13) . ?
C27 C29A 1.596(18) . ?
C27 C29B 1.34(3) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29A H29A 0.9600 . ?
C29A H29B 0.9600 . ?
C29A H29C 0.9600 . ?
C29B H29D 0.9600 . ?
C29B H29E 0.9600 . ?
C29B H29F 0.9600 . ?
C30 H30 0.9800 . ?
C30 C31 1.492(11) . ?
C30 C32 1.543(11) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.523(8) . ?
C34 C35 1.380(8) . ?
C34 C39 1.422(9) . ?
C35 C36 1.385(9) . ?
C35 C40 1.538(9) . ?
C36 H36 0.9300 . ?
C36 C37 1.396(10) . ?
C37 C38 1.394(9) . ?
C37 C43 1.528(9) . ?
C38 H38 0.9300 . ?
C38 C39 1.394(9) . ?
C39 C46 1.529(9) . ?
C40 H40 0.9800 . ?
C40 C41 1.515(9) . ?
C40 C42 1.500(10) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43 0.9800 . ?
C43 H43A 0.9800 . ?
C43 C44A 1.500(17) . ?
C43 C45A 1.627(18) . ?
C43 C44B 1.45(3) . ?
C43 C45B 1.54(3) . ?
C44A H44A 0.9600 . ?
C44A H44B 0.9600 . ?
C44A H44C 0.9600 . ?
C45A H45A 0.9600 . ?
C45A H45B 0.9600 . ?
C45A H45C 0.9600 . ?
C44B H44D 0.9600 . ?
C44B H44E 0.9600 . ?
C44B H44F 0.9600 . ?
C45B H45D 0.9600 . ?
C45B H45E 0.9600 . ?
C45B H45F 0.9600 . ?
C46 H46 0.9800 . ?
C46 C47 1.523(9) . ?
C46 C48 1.483(12) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
Ag4 Ag5 2.9068(8) . ?
Ag4 Ag6 2.9619(7) . ?
Ag4 Ag6 3.3608(7) 2_776 ?
Ag4 S7 2.4883(15) . ?
Ag4 S9 2.4924(14) . ?
Ag4 S11 2.4853(14) . ?
Ag5 Ag6 3.3268(7) . ?
Ag5 Ag6 2.9594(7) 2_776 ?
Ag5 S8 2.4988(16) . ?
Ag5 S10 2.4962(19) . ?
Ag5 S11 2.4777(17) 2_776 ?
Ag6 S8 2.5159(15) . ?
Ag6 S9 2.5007(16) 2_776 ?
Ag6 S12 2.5223(16) . ?
S7 C49 1.656(7) . ?
S8 C49 1.711(7) . ?
S9 C65 1.725(7) . ?
S10 C65 1.642(9) . ?
S11 C81 1.736(6) . ?
S12 C81 1.635(7) . ?
C49 C50 1.498(8) . ?
C50 C51 1.417(9) . ?
C50 C55 1.390(10) . ?
C51 C52 1.371(9) . ?
C51 C56 1.511(9) . ?
C52 H52 0.9300 . ?
C52 C53 1.369(11) . ?
C53 C54 1.406(12) . ?
C53 C59 1.535(10) . ?
C54 H54 0.9300 . ?
C54 C55 1.388(10) . ?
C55 C62A 1.57(2) . ?
C55 C62B 1.55(5) . ?
C56 H56 0.9800 . ?
C56 C57 1.524(11) . ?
C56 C58 1.542(10) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59 0.9800 . ?
C59 C60 1.484(14) . ?
C59 C61 1.473(12) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62A H62A 0.9800 . ?
C62A C63A 1.47(3) . ?
C62A C64A 1.52(3) . ?
C63A H63A 0.9600 . ?
C63A H63B 0.9600 . ?
C63A H63C 0.9600 . ?
C64A H64A 0.9600 . ?
C64A H64B 0.9600 . ?
C64A H64C 0.9600 . ?
C62B H62B 0.9800 . ?
C62B C63B 1.62(6) . ?
C62B C64B 1.54(6) . ?
C63B H63D 0.9600 . ?
C63B H63E 0.9600 . ?
C63B H63F 0.9600 . ?
C64B H64D 0.9600 . ?
C64B H64E 0.9600 . ?
C64B H64F 0.9600 . ?
C65 C66 1.514(10) . ?
C66 C67 1.387(10) . ?
C66 C71 1.415(10) . ?
C67 C68 1.397(12) . ?
C67 C72A 1.54(3) . ?
C67 C72B 1.52(4) . ?
C68 H68 0.9300 . ?
C68 C69 1.362(13) . ?
C69 C70 1.396(11) . ?
C69 C75 1.499(13) . ?
C70 H70 0.9300 . ?
C70 C71 1.374(11) . ?
C71 C78 1.521(10) . ?
C72A H72A 0.9800 . ?
C72A C73A 1.52(2) . ?
C72A C74A 1.54(3) . ?
C73A H73A 0.9600 . ?
C73A H73B 0.9600 . ?
C73A H73C 0.9600 . ?
C74A H74A 0.9600 . ?
C74A H74B 0.9600 . ?
C74A H74C 0.9600 . ?
C72B H72B 0.9800 . ?
C72B C73B 1.54(3) . ?
C72B C74B 1.51(5) . ?
C73B H73D 0.9600 . ?
C73B H73E 0.9600 . ?
C73B H73F 0.9600 . ?
C74B H74D 0.9600 . ?
C74B H74E 0.9600 . ?
C74B H74F 0.9600 . ?
C75 H75 0.9800 . ?
C75 H75A 0.9800 . ?
C75 C76 1.52(2) . ?
C75 C77A 1.643(17) . ?
C75 C77B 1.28(2) . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C77A H77A 0.9600 . ?
C77A H77B 0.9600 . ?
C77A H77C 0.9600 . ?
C77B H77D 0.9600 . ?
C77B H77E 0.9600 . ?
C77B H77F 0.9600 . ?
C78 H78 0.9800 . ?
C78 C79 1.521(11) . ?
C78 C80 1.503(11) . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 C82 1.500(9) . ?
C82 C83 1.397(9) . ?
C82 C87 1.399(8) . ?
C83 C84 1.406(10) . ?
C83 C88 1.517(8) . ?
C84 H84 0.9300 . ?
C84 C85 1.401(10) . ?
C85 C86 1.390(10) . ?
C85 C91A 1.54(3) . ?
C85 C91B 1.51(4) . ?
C86 H86 0.9300 . ?
C86 C87 1.382(10) . ?
C87 C94 1.532(9) . ?
C88 H88 0.9800 . ?
C88 C89 1.493(11) . ?
C88 C90 1.523(11) . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
C91A H91A 0.9800 . ?
C91A C92A 1.49(2) . ?
C91A C93A 1.47(4) . ?
C92A H92A 0.9600 . ?
C92A H92B 0.9600 . ?
C92A H92C 0.9600 . ?
C93A H93A 0.9600 . ?
C93A H93B 0.9600 . ?
C93A H93C 0.9600 . ?
C91B H91B 0.9800 . ?
C91B C92B 1.64(3) . ?
C91B C93B 1.51(4) . ?
C92B H92D 0.9600 . ?
C92B H92E 0.9600 . ?
C92B H92F 0.9600 . ?
C93B H93D 0.9600 . ?
C93B H93E 0.9600 . ?
C93B H93F 0.9600 . ?
C94 H94 0.9800 . ?
C94 C95 1.522(9) . ?
C94 C96 1.521(9) . ?
C95 H95A 0.9600 . ?
C95 H95B 0.9600 . ?
C95 H95C 0.9600 . ?
C96 H96A 0.9600 . ?
C96 H96B 0.9600 . ?
C96 H96C 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 89.428(17) . 2_665 ?
Ag2 Ag1 Ag3 56.566(14) . . ?
Ag2 Ag1 Ag3 60.311(13) 2_665 . ?
Ag2 Ag1 Ag3 65.957(15) . 2_665 ?
Ag3 Ag1 Ag2 57.309(14) 2_665 2_665 ?
Ag3 Ag1 Ag3 90.716(16) 2_665 . ?
S1 Ag1 Ag2 142.69(4) . 2_665 ?
S1 Ag1 Ag2 88.61(4) . . ?
S1 Ag1 Ag3 88.23(4) . 2_665 ?
S1 Ag1 Ag3 141.75(4) . . ?
S3 Ag1 Ag2 80.70(4) . . ?
S3 Ag1 Ag2 101.11(4) . 2_665 ?
S3 Ag1 Ag3 49.64(3) . . ?
S3 Ag1 Ag3 138.91(4) . 2_665 ?
S3 Ag1 S1 115.28(5) . . ?
S5 Ag1 Ag2 138.48(4) . . ?
S5 Ag1 Ag2 50.57(3) . 2_665 ?
S5 Ag1 Ag3 101.98(4) . . ?
S5 Ag1 Ag3 80.81(4) . 2_665 ?
S5 Ag1 S1 115.53(5) . . ?
S5 Ag1 S3 113.78(5) . . ?
Ag1 Ag2 Ag1 90.572(17) . 2_665 ?
Ag1 Ag2 Ag3 57.036(13) . 2_665 ?
Ag1 Ag2 Ag3 60.854(13) 2_665 2_665 ?
Ag3 Ag2 Ag1 57.702(14) . 2_665 ?
Ag3 Ag2 Ag1 66.518(16) . . ?
Ag3 Ag2 Ag3 91.287(17) . 2_665 ?
S2 Ag2 Ag1 80.53(4) 2_665 . ?
S2 Ag2 Ag1 101.94(3) 2_665 2_665 ?
S2 Ag2 Ag3 49.93(4) 2_665 2_665 ?
S2 Ag2 Ag3 139.59(4) 2_665 . ?
S2 Ag2 S4 114.84(5) 2_665 . ?
S2 Ag2 S5 114.27(5) 2_665 2_665 ?
S4 Ag2 Ag1 142.41(4) . 2_665 ?
S4 Ag2 Ag1 88.14(4) . . ?
S4 Ag2 Ag3 87.76(4) . . ?
S4 Ag2 Ag3 141.86(4) . 2_665 ?
S5 Ag2 Ag1 139.59(4) 2_665 . ?
S5 Ag2 Ag1 50.57(3) 2_665 2_665 ?
S5 Ag2 Ag3 102.46(3) 2_665 2_665 ?
S5 Ag2 Ag3 81.07(4) 2_665 . ?
S5 Ag2 S4 115.00(5) 2_665 . ?
Ag1 Ag3 Ag1 89.287(16) 2_665 . ?
Ag1 Ag3 Ag2 57.004(13) 2_665 2_665 ?
Ag2 Ag3 Ag1 58.839(13) 2_665 . ?
Ag2 Ag3 Ag1 56.917(14) . . ?
Ag2 Ag3 Ag1 64.992(16) . 2_665 ?
Ag2 Ag3 Ag2 88.714(17) . 2_665 ?
S2 Ag3 Ag1 100.03(3) . . ?
S2 Ag3 Ag1 80.41(4) . 2_665 ?
S2 Ag3 Ag2 49.75(3) . 2_665 ?
S2 Ag3 Ag2 136.92(4) . . ?
S2 Ag3 S3 113.03(5) . . ?
S2 Ag3 S6 115.93(5) . . ?
S3 Ag3 Ag1 137.61(4) . 2_665 ?
S3 Ag3 Ag1 49.73(3) . . ?
S3 Ag3 Ag2 80.99(4) . . ?
S3 Ag3 Ag2 99.90(3) . 2_665 ?
S3 Ag3 S6 116.83(5) . . ?
S6 Ag3 Ag1 88.28(4) . 2_665 ?
S6 Ag3 Ag1 142.96(4) . . ?
S6 Ag3 Ag2 88.96(4) . . ?
S6 Ag3 Ag2 142.32(4) . 2_665 ?
C1 S1 Ag1 104.8(2) 2_665 . ?
Ag2 S2 Ag3 80.33(5) 2_665 . ?
C1 S2 Ag2 106.3(2) . 2_665 ?
C1 S2 Ag3 105.4(2) . . ?
Ag3 S3 Ag1 80.63(4) . . ?
C17 S3 Ag1 105.5(2) . . ?
C17 S3 Ag3 105.0(2) . . ?
C17 S4 Ag2 106.6(2) . . ?
Ag2 S5 Ag1 78.86(4) 2_665 . ?
C33 S5 Ag1 106.0(2) 2_665 . ?
C33 S5 Ag2 105.9(2) 2_665 2_665 ?
C33 S6 Ag3 105.6(2) . . ?
S1 C1 S2 129.3(4) 2_665 . ?
C2 C1 S1 118.6(4) . 2_665 ?
C2 C1 S2 112.1(5) . . ?
C3 C2 C1 120.3(5) . . ?
C3 C2 C7 120.4(6) . . ?
C7 C2 C1 119.2(5) . . ?
C2 C3 C8 120.5(6) . . ?
C4 C3 C2 118.8(6) . . ?
C4 C3 C8 120.7(6) . . ?
C3 C4 H4 118.8 . . ?
C5 C4 C3 122.3(6) . . ?
C5 C4 H4 118.8 . . ?
C4 C5 C6 118.3(6) . . ?
C4 C5 C11 121.0(6) . . ?
C6 C5 C11 120.7(6) . . ?
C5 C6 H6 118.8 . . ?
C5 C6 C7 122.4(6) . . ?
C7 C6 H6 118.8 . . ?
C2 C7 C14 121.8(6) . . ?
C6 C7 C2 117.8(5) . . ?
C6 C7 C14 120.5(5) . . ?
C3 C8 H8 107.7 . . ?
C9 C8 C3 110.4(7) . . ?
C9 C8 H8 107.7 . . ?
C9 C8 C10 111.6(7) . . ?
C10 C8 C3 111.5(6) . . ?
C10 C8 H8 107.7 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C5 C11 H11 108.0 . . ?
C12 C11 C5 112.7(7) . . ?
C12 C11 H11 108.0 . . ?
C12 C11 C13 111.4(8) . . ?
C13 C11 C5 108.5(6) . . ?
C13 C11 H11 108.0 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C7 C14 H14 107.6 . . ?
C7 C14 C15 113.8(5) . . ?
C7 C14 C16 109.7(6) . . ?
C15 C14 H14 107.6 . . ?
C15 C14 C16 110.2(6) . . ?
C16 C14 H14 107.6 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
S4 C17 S3 127.8(4) . . ?
C18 C17 S3 112.7(5) . . ?
C18 C17 S4 119.5(5) . . ?
C19 C18 C17 119.3(5) . . ?
C19 C18 C23 121.7(5) . . ?
C23 C18 C17 118.9(5) . . ?
C18 C19 C24 122.4(6) . . ?
C20 C19 C18 118.5(6) . . ?
C20 C19 C24 119.1(6) . . ?
C19 C20 H20 119.2 . . ?
C19 C20 C21 121.5(6) . . ?
C21 C20 H20 119.2 . . ?
C20 C21 C27 119.8(6) . . ?
C22 C21 C20 118.3(6) . . ?
C22 C21 C27 121.9(7) . . ?
C21 C22 H22 118.9 . . ?
C21 C22 C23 122.2(6) . . ?
C23 C22 H22 118.9 . . ?
C18 C23 C22 117.8(6) . . ?
C18 C23 C30 122.5(5) . . ?
C22 C23 C30 119.7(5) . . ?
C19 C24 H24 106.7 . . ?
C19 C24 C26 112.4(7) . . ?
C25 C24 C19 112.2(8) . . ?
C25 C24 H24 106.7 . . ?
C25 C24 C26 111.6(7) . . ?
C26 C24 H24 106.7 . . ?
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 . . ?
C21 C27 H27 107.9 . . ?
C21 C27 H27A 95.3 . . ?
C21 C27 C29A 109.0(8) . . ?
C28 C27 C21 113.9(7) . . ?
C28 C27 H27 107.9 . . ?
C28 C27 H27A 95.3 . . ?
C28 C27 C29A 109.9(9) . . ?
C29A C27 H27 107.9 . . ?
C29B C27 C21 118.2(14) . . ?
C29B C27 H27A 95.3 . . ?
C29B C27 C28 125.3(14) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29A H29A 109.5 . . ?
C27 C29A H29B 109.5 . . ?
C27 C29A H29C 109.5 . . ?
H29A C29A H29B 109.5 . . ?
H29A C29A H29C 109.5 . . ?
H29B C29A H29C 109.5 . . ?
C27 C29B H29D 109.5 . . ?
C27 C29B H29E 109.5 . . ?
C27 C29B H29F 109.5 . . ?
H29D C29B H29E 109.5 . . ?
H29D C29B H29F 109.5 . . ?
H29E C29B H29F 109.5 . . ?
C23 C30 H30 107.5 . . ?
C23 C30 C32 110.9(6) . . ?
C31 C30 C23 113.6(5) . . ?
C31 C30 H30 107.5 . . ?
C31 C30 C32 109.6(6) . . ?
C32 C30 H30 107.5 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
S6 C33 S5 128.7(4) . 2_665 ?
C34 C33 S5 111.7(5) . 2_665 ?
C34 C33 S6 119.5(4) . . ?
C35 C34 C33 120.0(5) . . ?
C35 C34 C39 121.3(6) . . ?
C39 C34 C33 118.6(5) . . ?
C34 C35 C36 119.0(6) . . ?
C34 C35 C40 121.1(5) . . ?
C36 C35 C40 119.9(6) . . ?
C35 C36 H36 119.1 . . ?
C35 C36 C37 121.9(6) . . ?
C37 C36 H36 119.1 . . ?
C36 C37 C43 120.9(6) . . ?
C38 C37 C36 118.2(6) . . ?
C38 C37 C43 120.8(6) . . ?
C37 C38 H38 119.1 . . ?
C37 C38 C39 121.9(6) . . ?
C39 C38 H38 119.1 . . ?
C34 C39 C46 123.1(5) . . ?
C38 C39 C34 117.7(6) . . ?
C38 C39 C46 119.2(6) . . ?
C35 C40 H40 107.7 . . ?
C41 C40 C35 110.2(6) . . ?
C41 C40 H40 107.7 . . ?
C42 C40 C35 111.8(5) . . ?
C42 C40 H40 107.7 . . ?
C42 C40 C41 111.6(6) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C37 C43 H43 109.3 . . ?
C37 C43 H43A 110.3 . . ?
C37 C43 C45A 114.2(7) . . ?
C37 C43 C45B 113.5(11) . . ?
C44A C43 C37 111.2(7) . . ?
C44A C43 H43 109.3 . . ?
C44A C43 C45A 103.3(10) . . ?
C45A C43 H43 109.3 . . ?
C44B C43 C37 110.2(11) . . ?
C44B C43 H43A 110.3 . . ?
C44B C43 C45B 101.9(16) . . ?
C45B C43 H43A 110.3 . . ?
C43 C44A H44A 109.5 . . ?
C43 C44A H44B 109.5 . . ?
C43 C44A H44C 109.5 . . ?
H44A C44A H44B 109.5 . . ?
H44A C44A H44C 109.5 . . ?
H44B C44A H44C 109.5 . . ?
C43 C45A H45A 109.5 . . ?
C43 C45A H45B 109.5 . . ?
C43 C45A H45C 109.5 . . ?
H45A C45A H45B 109.5 . . ?
H45A C45A H45C 109.5 . . ?
H45B C45A H45C 109.5 . . ?
C43 C44B H44D 109.5 . . ?
C43 C44B H44E 109.5 . . ?
C43 C44B H44F 109.5 . . ?
H44D C44B H44E 109.5 . . ?
H44D C44B H44F 109.5 . . ?
H44E C44B H44F 109.5 . . ?
C43 C45B H45D 109.5 . . ?
C43 C45B H45E 109.5 . . ?
C43 C45B H45F 109.5 . . ?
H45D C45B H45E 109.5 . . ?
H45D C45B H45F 109.5 . . ?
H45E C45B H45F 109.5 . . ?
C39 C46 H46 106.8 . . ?
C47 C46 C39 111.2(5) . . ?
C47 C46 H46 106.8 . . ?
C48 C46 C39 111.9(6) . . ?
C48 C46 H46 106.8 . . ?
C48 C46 C47 113.0(6) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
Ag5 Ag4 Ag6 69.058(19) . . ?
Ag5 Ag4 Ag6 55.784(16) . 2_776 ?
Ag6 Ag4 Ag6 88.89(2) . 2_776 ?
S7 Ag4 Ag5 89.63(4) . . ?
S7 Ag4 Ag6 143.26(4) . 2_776 ?
S7 Ag4 Ag6 89.52(4) . . ?
S7 Ag4 S9 120.69(5) . . ?
S9 Ag4 Ag5 79.66(4) . . ?
S9 Ag4 Ag6 136.37(4) . . ?
S9 Ag4 Ag6 47.80(4) . 2_776 ?
S11 Ag4 Ag5 134.71(4) . . ?
S11 Ag4 Ag6 96.48(4) . 2_776 ?
S11 Ag4 Ag6 76.17(4) . . ?
S11 Ag4 S7 118.68(5) . . ?
S11 Ag4 S9 109.09(5) . . ?
Ag4 Ag5 Ag6 56.252(15) . . ?
Ag4 Ag5 Ag6 69.899(18) . 2_776 ?
Ag6 Ag5 Ag6 89.585(19) 2_776 . ?
S8 Ag5 Ag4 79.27(4) . . ?
S8 Ag5 Ag6 48.66(4) . . ?
S8 Ag5 Ag6 137.73(4) . 2_776 ?
S10 Ag5 Ag4 88.57(5) . . ?
S10 Ag5 Ag6 88.76(5) . 2_776 ?
S10 Ag5 Ag6 142.81(5) . . ?
S10 Ag5 S8 119.29(6) . . ?
S11 Ag5 Ag4 136.26(4) 2_776 . ?
S11 Ag5 Ag6 97.50(4) 2_776 . ?
S11 Ag5 Ag6 76.33(4) 2_776 2_776 ?
S11 Ag5 S8 110.76(6) 2_776 . ?
S11 Ag5 S10 118.09(6) 2_776 . ?
Ag4 Ag6 Ag4 91.11(2) . 2_776 ?
Ag4 Ag6 Ag5 54.690(16) . . ?
Ag5 Ag6 Ag4 54.315(15) 2_776 2_776 ?
Ag5 Ag6 Ag4 61.698(14) . 2_776 ?
Ag5 Ag6 Ag4 70.784(18) 2_776 . ?
Ag5 Ag6 Ag5 90.415(19) 2_776 . ?
S8 Ag6 Ag4 100.38(4) . 2_776 ?
S8 Ag6 Ag4 77.94(4) . . ?
S8 Ag6 Ag5 48.22(4) . . ?
S8 Ag6 Ag5 138.12(4) . 2_776 ?
S8 Ag6 S12 117.35(5) . . ?
S9 Ag6 Ag4 138.36(4) 2_776 . ?
S9 Ag6 Ag4 47.59(3) 2_776 2_776 ?
S9 Ag6 Ag5 99.28(4) 2_776 . ?
S9 Ag6 Ag5 78.51(4) 2_776 2_776 ?
S9 Ag6 S8 110.20(6) 2_776 . ?
S9 Ag6 S12 118.07(5) 2_776 . ?
S12 Ag6 Ag4 89.97(4) . . ?
S12 Ag6 Ag4 141.59(4) . 2_776 ?
S12 Ag6 Ag5 141.96(4) . . ?
S12 Ag6 Ag5 90.23(4) . 2_776 ?
C49 S7 Ag4 104.0(2) . . ?
Ag5 S8 Ag6 83.12(5) . . ?
C49 S8 Ag5 106.6(2) . . ?
C49 S8 Ag6 106.3(2) . . ?
Ag4 S9 Ag6 84.61(5) . 2_776 ?
C65 S9 Ag4 104.6(2) . . ?
C65 S9 Ag6 105.9(3) . 2_776 ?
C65 S10 Ag5 104.0(2) . . ?
Ag5 S11 Ag4 87.41(5) 2_776 . ?
C81 S11 Ag4 106.5(2) . . ?
C81 S11 Ag5 108.8(2) . 2_776 ?
C81 S12 Ag6 101.8(2) . . ?
S7 C49 S8 127.4(4) . . ?
C50 C49 S7 119.1(5) . . ?
C50 C49 S8 113.5(5) . . ?
C51 C50 C49 119.7(6) . . ?
C55 C50 C49 120.5(6) . . ?
C55 C50 C51 119.8(6) . . ?
C50 C51 C56 121.8(6) . . ?
C52 C51 C50 119.1(6) . . ?
C52 C51 C56 119.1(6) . . ?
C51 C52 H52 118.8 . . ?
C53 C52 C51 122.4(7) . . ?
C53 C52 H52 118.8 . . ?
C52 C53 C54 117.8(7) . . ?
C52 C53 C59 118.6(7) . . ?
C54 C53 C59 123.5(8) . . ?
C53 C54 H54 119.2 . . ?
C55 C54 C53 121.7(8) . . ?
C55 C54 H54 119.2 . . ?
C50 C55 C62A 123.0(10) . . ?
C50 C55 C62B 116.0(17) . . ?
C54 C55 C50 118.8(7) . . ?
C54 C55 C62A 118.1(10) . . ?
C54 C55 C62B 123(2) . . ?
C51 C56 H56 107.5 . . ?
C51 C56 C57 111.9(7) . . ?
C51 C56 C58 112.5(6) . . ?
C57 C56 H56 107.5 . . ?
C57 C56 C58 109.7(6) . . ?
C58 C56 H56 107.5 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C53 C59 H59 105.7 . . ?
C60 C59 C53 110.9(8) . . ?
C60 C59 H59 105.7 . . ?
C61 C59 C53 114.6(7) . . ?
C61 C59 H59 105.7 . . ?
C61 C59 C60 113.4(9) . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C59 C61 H61A 109.5 . . ?
C59 C61 H61B 109.5 . . ?
C59 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C55 C62A H62A 105.7 . . ?
C63A C62A C55 117.8(15) . . ?
C63A C62A H62A 105.7 . . ?
C63A C62A C64A 113.0(17) . . ?
C64A C62A C55 107.9(17) . . ?
C64A C62A H62A 105.7 . . ?
C62A C63A H63A 109.5 . . ?
C62A C63A H63B 109.5 . . ?
C62A C63A H63C 109.5 . . ?
H63A C63A H63B 109.5 . . ?
H63A C63A H63C 109.5 . . ?
H63B C63A H63C 109.5 . . ?
C62A C64A H64A 109.5 . . ?
C62A C64A H64B 109.5 . . ?
C62A C64A H64C 109.5 . . ?
H64A C64A H64B 109.5 . . ?
H64A C64A H64C 109.5 . . ?
H64B C64A H64C 109.5 . . ?
C55 C62B H62B 111.2 . . ?
C55 C62B C63B 102(2) . . ?
C63B C62B H62B 111.2 . . ?
C64B C62B C55 115(4) . . ?
C64B C62B H62B 111.2 . . ?
C64B C62B C63B 106(3) . . ?
C62B C63B H63D 109.5 . . ?
C62B C63B H63E 109.5 . . ?
C62B C63B H63F 109.5 . . ?
H63D C63B H63E 109.5 . . ?
H63D C63B H63F 109.5 . . ?
H63E C63B H63F 109.5 . . ?
C62B C64B H64D 109.5 . . ?
C62B C64B H64E 109.5 . . ?
C62B C64B H64F 109.5 . . ?
H64D C64B H64E 109.5 . . ?
H64D C64B H64F 109.5 . . ?
H64E C64B H64F 109.5 . . ?
S10 C65 S9 127.9(4) . . ?
C66 C65 S9 112.1(6) . . ?
C66 C65 S10 120.0(5) . . ?
C67 C66 C65 119.4(7) . . ?
C67 C66 C71 121.4(7) . . ?
C71 C66 C65 119.2(6) . . ?
C66 C67 C68 117.5(8) . . ?
C66 C67 C72A 118.7(10) . . ?
C66 C67 C72B 125.6(14) . . ?
C68 C67 C72A 123.1(10) . . ?
C68 C67 C72B 115.1(14) . . ?
C67 C68 H68 118.6 . . ?
C69 C68 C67 122.8(7) . . ?
C69 C68 H68 118.6 . . ?
C68 C69 C70 118.4(8) . . ?
C68 C69 C75 120.9(8) . . ?
C70 C69 C75 120.7(8) . . ?
C69 C70 H70 119.1 . . ?
C71 C70 C69 121.8(7) . . ?
C71 C70 H70 119.1 . . ?
C66 C71 C78 120.6(7) . . ?
C70 C71 C66 118.1(7) . . ?
C70 C71 C78 121.1(7) . . ?
C67 C72A H72A 108.5 . . ?
C73A C72A C67 105.7(16) . . ?
C73A C72A H72A 108.5 . . ?
C73A C72A C74A 110.2(17) . . ?
C74A C72A C67 115.4(16) . . ?
C74A C72A H72A 108.5 . . ?
C72A C73A H73A 109.5 . . ?
C72A C73A H73B 109.5 . . ?
C72A C73A H73C 109.5 . . ?
H73A C73A H73B 109.5 . . ?
H73A C73A H73C 109.5 . . ?
H73B C73A H73C 109.5 . . ?
C72A C74A H74A 109.5 . . ?
C72A C74A H74B 109.5 . . ?
C72A C74A H74C 109.5 . . ?
H74A C74A H74B 109.5 . . ?
H74A C74A H74C 109.5 . . ?
H74B C74A H74C 109.5 . . ?
C67 C72B H72B 104.0 . . ?
C67 C72B C73B 123(3) . . ?
C73B C72B H72B 104.0 . . ?
C74B C72B C67 109(2) . . ?
C74B C72B H72B 104.0 . . ?
C74B C72B C73B 112(3) . . ?
C72B C73B H73D 109.5 . . ?
C72B C73B H73E 109.5 . . ?
C72B C73B H73F 109.5 . . ?
H73D C73B H73E 109.5 . . ?
H73D C73B H73F 109.5 . . ?
H73E C73B H73F 109.5 . . ?
C72B C74B H74D 109.5 . . ?
C72B C74B H74E 109.5 . . ?
C72B C74B H74F 109.5 . . ?
H74D C74B H74E 109.5 . . ?
H74D C74B H74F 109.5 . . ?
H74E C74B H74F 109.5 . . ?
C69 C75 H75 105.5 . . ?
C69 C75 H75A 106.4 . . ?
C69 C75 C76 110.0(10) . . ?
C69 C75 C77A 111.0(10) . . ?
C76 C75 H75 105.5 . . ?
C76 C75 H75A 106.4 . . ?
C76 C75 C77A 118.4(12) . . ?
C77A C75 H75 105.5 . . ?
C77B C75 C69 129.1(15) . . ?
C77B C75 H75A 106.4 . . ?
C77B C75 C76 96.8(14) . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C75 C77A H77A 109.5 . . ?
C75 C77A H77B 109.5 . . ?
C75 C77A H77C 109.5 . . ?
H77A C77A H77B 109.5 . . ?
H77A C77A H77C 109.5 . . ?
H77B C77A H77C 109.5 . . ?
C75 C77B H77D 109.5 . . ?
C75 C77B H77E 109.5 . . ?
C75 C77B H77F 109.5 . . ?
H77D C77B H77E 109.5 . . ?
H77D C77B H77F 109.5 . . ?
H77E C77B H77F 109.5 . . ?
C71 C78 H78 107.2 . . ?
C71 C78 C79 109.8(6) . . ?
C79 C78 H78 107.2 . . ?
C80 C78 C71 114.5(7) . . ?
C80 C78 H78 107.2 . . ?
C80 C78 C79 110.4(6) . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C78 C80 H80A 109.5 . . ?
C78 C80 H80B 109.5 . . ?
C78 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
S12 C81 S11 127.2(4) . . ?
C82 C81 S11 110.8(4) . . ?
C82 C81 S12 122.0(4) . . ?
C83 C82 C81 118.8(5) . . ?
C83 C82 C87 121.6(6) . . ?
C87 C82 C81 119.5(5) . . ?
C82 C83 C84 117.6(6) . . ?
C82 C83 C88 123.0(6) . . ?
C84 C83 C88 119.3(6) . . ?
C83 C84 H84 118.8 . . ?
C85 C84 C83 122.4(7) . . ?
C85 C84 H84 118.8 . . ?
C84 C85 C91A 123.4(12) . . ?
C84 C85 C91B 114.8(14) . . ?
C86 C85 C84 117.0(7) . . ?
C86 C85 C91A 119.3(12) . . ?
C86 C85 C91B 125.7(14) . . ?
C85 C86 H86 118.5 . . ?
C87 C86 C85 123.0(6) . . ?
C87 C86 H86 118.5 . . ?
C82 C87 C94 121.4(6) . . ?
C86 C87 C82 118.3(6) . . ?
C86 C87 C94 120.3(6) . . ?
C83 C88 H88 106.9 . . ?
C83 C88 C90 112.8(6) . . ?
C89 C88 C83 111.8(6) . . ?
C89 C88 H88 106.9 . . ?
C89 C88 C90 111.3(7) . . ?
C90 C88 H88 106.9 . . ?
C88 C89 H89A 109.5 . . ?
C88 C89 H89B 109.5 . . ?
C88 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C88 C90 H90A 109.5 . . ?
C88 C90 H90B 109.5 . . ?
C88 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C85 C91A H91A 106.2 . . ?
C92A C91A C85 116(2) . . ?
C92A C91A H91A 106.2 . . ?
C93A C91A C85 106.7(16) . . ?
C93A C91A H91A 106.2 . . ?
C93A C91A C92A 115(2) . . ?
C91A C92A H92A 109.5 . . ?
C91A C92A H92B 109.5 . . ?
C91A C92A H92C 109.5 . . ?
H92A C92A H92B 109.5 . . ?
H92A C92A H92C 109.5 . . ?
H92B C92A H92C 109.5 . . ?
C91A C93A H93A 109.5 . . ?
C91A C93A H93B 109.5 . . ?
C91A C93A H93C 109.5 . . ?
H93A C93A H93B 109.5 . . ?
H93A C93A H93C 109.5 . . ?
H93B C93A H93C 109.5 . . ?
C85 C91B H91B 107.7 . . ?
C85 C91B C92B 107(2) . . ?
C92B C91B H91B 107.7 . . ?
C93B C91B C85 119(2) . . ?
C93B C91B H91B 107.7 . . ?
C93B C91B C92B 107(2) . . ?
C91B C92B H92D 109.5 . . ?
C91B C92B H92E 109.5 . . ?
C91B C92B H92F 109.5 . . ?
H92D C92B H92E 109.5 . . ?
H92D C92B H92F 109.5 . . ?
H92E C92B H92F 109.5 . . ?
C91B C93B H93D 109.5 . . ?
C91B C93B H93E 109.5 . . ?
C91B C93B H93F 109.5 . . ?
H93D C93B H93E 109.5 . . ?
H93D C93B H93F 109.5 . . ?
H93E C93B H93F 109.5 . . ?
C87 C94 H94 107.4 . . ?
C95 C94 C87 111.2(5) . . ?
C95 C94 H94 107.4 . . ?
C96 C94 C87 112.0(6) . . ?
C96 C94 H94 107.4 . . ?
C96 C94 C95 111.1(5) . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C94 C96 H96A 109.5 . . ?
C94 C96 H96B 109.5 . . ?
C94 C96 H96C 109.5 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 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 S3 C17 S4 -42.3(5) . . . . ?
Ag1 S3 C17 C18 138.4(4) . . . . ?
Ag2 S2 C1 S1 41.3(4) 2_665 . . 2_665 ?
Ag2 S2 C1 C2 -137.7(3) 2_665 . . . ?
Ag2 S4 C17 S3 0.3(5) . . . . ?
Ag2 S4 C17 C18 179.5(4) . . . . ?
Ag3 S2 C1 S1 -42.9(4) . . . 2_665 ?
Ag3 S2 C1 C2 138.1(4) . . . . ?
Ag3 S3 C17 S4 41.9(5) . . . . ?
Ag3 S3 C17 C18 -137.3(4) . . . . ?
Ag3 S6 C33 S5 -1.5(5) . . . 2_665 ?
Ag3 S6 C33 C34 177.4(4) . . . . ?
S1 C1 C2 C3 -89.9(7) 2_665 . . . ?
S1 C1 C2 C7 91.9(6) 2_665 . . . ?
S2 C1 C2 C3 89.3(6) . . . . ?
S2 C1 C2 C7 -89.0(6) . . . . ?
S3 C17 C18 C19 87.3(7) . . . . ?
S3 C17 C18 C23 -93.8(7) . . . . ?
S4 C17 C18 C19 -92.1(8) . . . . ?
S4 C17 C18 C23 86.8(7) . . . . ?
S5 C33 C34 C35 -86.8(6) 2_665 . . . ?
S5 C33 C34 C39 89.9(6) 2_665 . . . ?
S6 C33 C34 C35 94.2(6) . . . . ?
S6 C33 C34 C39 -89.1(6) . . . . ?
C1 C2 C3 C4 179.4(6) . . . . ?
C1 C2 C3 C8 -1.5(10) . . . . ?
C1 C2 C7 C6 -178.9(6) . . . . ?
C1 C2 C7 C14 1.1(9) . . . . ?
C2 C3 C4 C5 0.8(11) . . . . ?
C2 C3 C8 C9 -102.9(8) . . . . ?
C2 C3 C8 C10 132.4(8) . . . . ?
C2 C7 C14 C15 -137.3(7) . . . . ?
C2 C7 C14 C16 98.8(7) . . . . ?
C3 C2 C7 C6 2.8(9) . . . . ?
C3 C2 C7 C14 -177.2(6) . . . . ?
C3 C4 C5 C6 0.2(10) . . . . ?
C3 C4 C5 C11 -179.2(7) . . . . ?
C4 C3 C8 C9 76.2(8) . . . . ?
C4 C3 C8 C10 -48.5(11) . . . . ?
C4 C5 C6 C7 0.3(10) . . . . ?
C4 C5 C11 C12 -45.6(10) . . . . ?
C4 C5 C11 C13 78.3(8) . . . . ?
C5 C6 C7 C2 -1.8(10) . . . . ?
C5 C6 C7 C14 178.2(6) . . . . ?
C6 C5 C11 C12 135.0(8) . . . . ?
C6 C5 C11 C13 -101.1(8) . . . . ?
C6 C7 C14 C15 42.8(9) . . . . ?
C6 C7 C14 C16 -81.2(7) . . . . ?
C7 C2 C3 C4 -2.3(10) . . . . ?
C7 C2 C3 C8 176.8(7) . . . . ?
C8 C3 C4 C5 -178.3(7) . . . . ?
C11 C5 C6 C7 179.7(6) . . . . ?
C17 C18 C19 C20 177.7(7) . . . . ?
C17 C18 C19 C24 -2.8(12) . . . . ?
C17 C18 C23 C22 -178.3(6) . . . . ?
C17 C18 C23 C30 3.8(10) . . . . ?
C18 C19 C20 C21 1.2(13) . . . . ?
C18 C19 C24 C25 -98.8(9) . . . . ?
C18 C19 C24 C26 134.5(8) . . . . ?
C18 C23 C30 C31 -139.3(7) . . . . ?
C18 C23 C30 C32 96.8(8) . . . . ?
C19 C18 C23 C22 0.6(10) . . . . ?
C19 C18 C23 C30 -177.3(7) . . . . ?
C19 C20 C21 C22 -0.7(13) . . . . ?
C19 C20 C21 C27 -177.7(8) . . . . ?
C20 C19 C24 C25 80.7(10) . . . . ?
C20 C19 C24 C26 -46.0(12) . . . . ?
C20 C21 C22 C23 0.0(12) . . . . ?
C20 C21 C27 C28 -60.9(11) . . . . ?
C20 C21 C27 C29A 62.3(12) . . . . ?
C20 C21 C27 C29B 102(2) . . . . ?
C21 C22 C23 C18 0.0(11) . . . . ?
C21 C22 C23 C30 178.0(7) . . . . ?
C22 C21 C27 C28 122.2(9) . . . . ?
C22 C21 C27 C29A -114.6(10) . . . . ?
C22 C21 C27 C29B -75(2) . . . . ?
C22 C23 C30 C31 42.8(9) . . . . ?
C22 C23 C30 C32 -81.1(8) . . . . ?
C23 C18 C19 C20 -1.2(12) . . . . ?
C23 C18 C19 C24 178.3(8) . . . . ?
C24 C19 C20 C21 -178.3(8) . . . . ?
C27 C21 C22 C23 176.9(7) . . . . ?
C33 C34 C35 C36 176.4(6) . . . . ?
C33 C34 C35 C40 -4.4(9) . . . . ?
C33 C34 C39 C38 -176.0(6) . . . . ?
C33 C34 C39 C46 2.0(9) . . . . ?
C34 C35 C36 C37 -1.1(9) . . . . ?
C34 C35 C40 C41 114.6(7) . . . . ?
C34 C35 C40 C42 -120.6(7) . . . . ?
C34 C39 C46 C47 128.8(7) . . . . ?
C34 C39 C46 C48 -103.8(8) . . . . ?
C35 C34 C39 C38 0.6(9) . . . . ?
C35 C34 C39 C46 178.7(6) . . . . ?
C35 C36 C37 C38 1.9(9) . . . . ?
C35 C36 C37 C43 -176.2(6) . . . . ?
C36 C35 C40 C41 -66.3(8) . . . . ?
C36 C35 C40 C42 58.5(8) . . . . ?
C36 C37 C38 C39 -1.4(10) . . . . ?
C36 C37 C43 C44A 64.6(12) . . . . ?
C36 C37 C43 C45A -179.0(9) . . . . ?
C36 C37 C43 C44B 99.1(17) . . . . ?
C36 C37 C43 C45B -147.3(16) . . . . ?
C37 C38 C39 C34 0.2(10) . . . . ?
C37 C38 C39 C46 -177.9(6) . . . . ?
C38 C37 C43 C44A -113.4(11) . . . . ?
C38 C37 C43 C45A 3.0(11) . . . . ?
C38 C37 C43 C44B -78.9(17) . . . . ?
C38 C37 C43 C45B 34.7(17) . . . . ?
C38 C39 C46 C47 -53.2(9) . . . . ?
C38 C39 C46 C48 74.2(8) . . . . ?
C39 C34 C35 C36 -0.2(9) . . . . ?
C39 C34 C35 C40 179.0(6) . . . . ?
C40 C35 C36 C37 179.8(6) . . . . ?
C43 C37 C38 C39 176.6(6) . . . . ?
Ag4 S7 C49 S8 -1.3(4) . . . . ?
Ag4 S7 C49 C50 177.9(4) . . . . ?
Ag4 S9 C65 S10 -44.3(5) . . . . ?
Ag4 S9 C65 C66 135.8(4) . . . . ?
Ag4 S11 C81 S12 49.5(4) . . . . ?
Ag4 S11 C81 C82 -131.2(4) . . . . ?
Ag5 S8 C49 S7 -41.9(4) . . . . ?
Ag5 S8 C49 C50 138.9(4) . . . . ?
Ag5 S10 C65 S9 0.4(5) . . . . ?
Ag5 S10 C65 C66 -179.7(4) . . . . ?
Ag5 S11 C81 S12 -43.5(4) 2_776 . . . ?
Ag5 S11 C81 C82 135.8(4) 2_776 . . . ?
Ag6 S8 C49 S7 45.7(4) . . . . ?
Ag6 S8 C49 C50 -133.6(4) . . . . ?
Ag6 S9 C65 S10 44.2(5) 2_776 . . . ?
Ag6 S9 C65 C66 -135.7(4) 2_776 . . . ?
Ag6 S12 C81 S11 -2.8(4) . . . . ?
Ag6 S12 C81 C82 178.0(4) . . . . ?
S7 C49 C50 C51 89.3(7) . . . . ?
S7 C49 C50 C55 -92.7(8) . . . . ?
S8 C49 C50 C51 -91.3(7) . . . . ?
S8 C49 C50 C55 86.6(8) . . . . ?
S9 C65 C66 C67 89.3(8) . . . . ?
S9 C65 C66 C71 -88.2(7) . . . . ?
S10 C65 C66 C67 -90.7(9) . . . . ?
S10 C65 C66 C71 91.8(8) . . . . ?
S11 C81 C82 C83 89.4(6) . . . . ?
S11 C81 C82 C87 -87.0(6) . . . . ?
S12 C81 C82 C83 -91.3(7) . . . . ?
S12 C81 C82 C87 92.3(6) . . . . ?
C49 C50 C51 C52 175.8(7) . . . . ?
C49 C50 C51 C56 -2.7(11) . . . . ?
C49 C50 C55 C54 -174.2(8) . . . . ?
C49 C50 C55 C62A 9.0(18) . . . . ?
C49 C50 C55 C62B -12(3) . . . . ?
C50 C51 C52 C53 -2.7(12) . . . . ?
C50 C51 C56 C57 100.3(8) . . . . ?
C50 C51 C56 C58 -135.7(7) . . . . ?
C50 C55 C62A C63A 123.2(19) . . . . ?
C50 C55 C62A C64A -107.4(16) . . . . ?
C50 C55 C62B C63B 138(3) . . . . ?
C50 C55 C62B C64B -107(3) . . . . ?
C51 C50 C55 C54 3.7(13) . . . . ?
C51 C50 C55 C62A -173.1(14) . . . . ?
C51 C50 C55 C62B 166(2) . . . . ?
C51 C52 C53 C54 5.6(14) . . . . ?
C51 C52 C53 C59 -177.4(9) . . . . ?
C52 C51 C56 C57 -78.2(9) . . . . ?
C52 C51 C56 C58 45.7(9) . . . . ?
C52 C53 C54 C55 -3.9(16) . . . . ?
C52 C53 C59 C60 -79.7(13) . . . . ?
C52 C53 C59 C61 150.4(10) . . . . ?
C53 C54 C55 C50 -0.7(16) . . . . ?
C53 C54 C55 C62A 176.2(15) . . . . ?
C53 C54 C55 C62B -161(2) . . . . ?
C54 C53 C59 C60 97.2(11) . . . . ?
C54 C53 C59 C61 -32.8(17) . . . . ?
C54 C55 C62A C63A -54(2) . . . . ?
C54 C55 C62A C64A 75.8(17) . . . . ?
C54 C55 C62B C63B -60(4) . . . . ?
C54 C55 C62B C64B 54(3) . . . . ?
C55 C50 C51 C52 -2.1(11) . . . . ?
C55 C50 C51 C56 179.3(7) . . . . ?
C56 C51 C52 C53 175.9(8) . . . . ?
C59 C53 C54 C55 179.3(10) . . . . ?
C65 C66 C67 C68 -177.5(9) . . . . ?
C65 C66 C67 C72A 11.3(16) . . . . ?
C65 C66 C67 C72B -14(2) . . . . ?
C65 C66 C71 C70 176.6(7) . . . . ?
C65 C66 C71 C78 -8.0(11) . . . . ?
C66 C67 C68 C69 2.1(17) . . . . ?
C66 C67 C72A C73A -109.4(14) . . . . ?
C66 C67 C72A C74A 128.6(13) . . . . ?
C66 C67 C72B C73B -96(3) . . . . ?
C66 C67 C72B C74B 131(2) . . . . ?
C66 C71 C78 C79 -91.4(8) . . . . ?
C66 C71 C78 C80 143.7(7) . . . . ?
C67 C66 C71 C70 -0.8(12) . . . . ?
C67 C66 C71 C78 174.6(8) . . . . ?
C67 C68 C69 C70 -3.2(17) . . . . ?
C67 C68 C69 C75 179.6(12) . . . . ?
C68 C67 C72A C73A 79.9(18) . . . . ?
C68 C67 C72A C74A -42.1(19) . . . . ?
C68 C67 C72B C73B 68(3) . . . . ?
C68 C67 C72B C74B -65(3) . . . . ?
C68 C69 C70 C71 2.2(15) . . . . ?
C68 C69 C75 C76 -92.2(14) . . . . ?
C68 C69 C75 C77A 134.8(13) . . . . ?
C68 C69 C75 C77B 25(3) . . . . ?
C69 C70 C71 C66 -0.2(13) . . . . ?
C69 C70 C71 C78 -175.6(8) . . . . ?
C70 C69 C75 C76 90.6(12) . . . . ?
C70 C69 C75 C77A -42.3(17) . . . . ?
C70 C69 C75 C77B -152.2(19) . . . . ?
C70 C71 C78 C79 83.9(10) . . . . ?
C70 C71 C78 C80 -41.0(10) . . . . ?
C71 C66 C67 C68 0.0(14) . . . . ?
C71 C66 C67 C72A -171.3(12) . . . . ?
C71 C66 C67 C72B 163.8(18) . . . . ?
C72A C67 C68 C69 172.9(14) . . . . ?
C72B C67 C68 C69 -163.4(18) . . . . ?
C75 C69 C70 C71 179.4(10) . . . . ?
C81 C82 C83 C84 -173.5(6) . . . . ?
C81 C82 C83 C88 4.0(9) . . . . ?
C81 C82 C87 C86 174.7(6) . . . . ?
C81 C82 C87 C94 -3.6(9) . . . . ?
C82 C83 C84 C85 -1.5(11) . . . . ?
C82 C83 C88 C89 -105.0(8) . . . . ?
C82 C83 C88 C90 128.7(8) . . . . ?
C82 C87 C94 C95 -120.8(7) . . . . ?
C82 C87 C94 C96 114.2(7) . . . . ?
C83 C82 C87 C86 -1.5(9) . . . . ?
C83 C82 C87 C94 -179.9(6) . . . . ?
C83 C84 C85 C86 -1.0(12) . . . . ?
C83 C84 C85 C91A -175.4(13) . . . . ?
C83 C84 C85 C91B 162.4(13) . . . . ?
C84 C83 C88 C89 72.5(9) . . . . ?
C84 C83 C88 C90 -53.8(10) . . . . ?
C84 C85 C86 C87 2.4(12) . . . . ?
C84 C85 C91A C92A 118.8(19) . . . . ?
C84 C85 C91A C93A -112.0(18) . . . . ?
C84 C85 C91B C92B 144.3(16) . . . . ?
C84 C85 C91B C93B -94(3) . . . . ?
C85 C86 C87 C82 -1.1(11) . . . . ?
C85 C86 C87 C94 177.2(7) . . . . ?
C86 C85 C91A C92A -55(2) . . . . ?
C86 C85 C91A C93A 73.7(18) . . . . ?
C86 C85 C91B C92B -54(2) . . . . ?
C86 C85 C91B C93B 68(2) . . . . ?
C86 C87 C94 C95 60.9(9) . . . . ?
C86 C87 C94 C96 -64.2(8) . . . . ?
C87 C82 C83 C84 2.8(10) . . . . ?
C87 C82 C83 C88 -179.7(6) . . . . ?
C88 C83 C84 C85 -179.1(7) . . . . ?
C91A C85 C86 C87 177.0(13) . . . . ?
C91B C85 C86 C87 -159.0(13) . . . . ?

_smtbx_masks_special_details     ?
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 -0.255 -0.946 -0.431 2316.0 712.7 ?

_olex2_date_sample_data_collection 2017-06-29
_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.737
_oxdiff_exptl_absorpt_empirical_full_min 0.574
