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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_20190429_1
_database_code_depnum_ccdc_archive 'CCDC 1940148'
loop_
_audit_author_name
_audit_author_address
'Fan Tian'
;Wuhan Institute of Technology 
China
;
_audit_update_record             
;
2020-01-24 deposited with the CCDC.	2020-01-27 downloaded from the CCDC.
;
_audit_creation_date             2020-01-24
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            'chiral Ag18S'
_chemical_name_systematic        Ag18(μ8-S)(p-TBBT)16(PPh3)8
_chemical_formula_moiety         'C320 H360 Ag18 P8 S17, 29.675[CH4O]'
_chemical_formula_sum            'C349.68 H478.70 Ag18 O29.68 P8 S17'
_chemical_formula_weight         7891.48
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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      tetragonal
_space_group_IT_number           130
_space_group_name_H-M_alt        'P 4/n c c'
_space_group_name_Hall           '-P 4a 2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y+1/2, x, z'
'-x+1/2, -y+1/2, z'
'y, -x+1/2, z'
'x+1/2, -y, -z+1/2'
'-x, y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y, -x, -z+1/2'
'-x, -y, -z'
'y-1/2, -x, -z'
'x-1/2, y-1/2, -z'
'-y, x-1/2, -z'
'-x-1/2, y, z-1/2'
'x, -y-1/2, z-1/2'
'-y-1/2, -x-1/2, z-1/2'
'y, x, z-1/2'

_cell_length_a                   26.69470(10)
_cell_length_b                   26.69470(10)
_cell_length_c                   50.0946(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     35697.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    96272
_cell_measurement_temperature    100
_cell_measurement_theta_max      73.8470
_cell_measurement_theta_min      3.3260
_shelx_estimated_absorpt_T_max   0.451
_shelx_estimated_absorpt_T_min   0.254
_exptl_absorpt_coefficient_mu    9.456
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull reddish black'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             16209
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_av_unetI/netI     0.0232
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       61
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            202082
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.007
_diffrn_reflns_theta_min         2.341
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     43.00  69.00   0.50    0.60    --    0.00  38.00-150.00   52
  2  ω    -16.00  29.00   0.50    0.60    --    0.00 -82.00  30.00   90
  3  ω    -14.00  12.00   0.50    0.60    --    0.00 -82.00-150.00   52
  4  ω      9.00  83.00   0.50    0.60    --    0.00  38.00-120.00  148
  5  ω    -32.00  19.00   0.50    0.60    --    0.00 -82.00-180.00  102
  6  ω      7.00 114.00   0.50    3.00    --   94.60 -77.00 120.00  214
  7  ω      5.00 114.00   0.50    3.00    --   94.60 -45.00 -60.00  218
  8  ω     49.00  87.00   0.50    3.00    --   94.60 -30.00-180.00   76
  9  ω      7.00  44.00   0.50    3.00    --   94.60 -30.00-180.00   74
 10  ω    154.00 183.00   0.50    3.00    --   94.60  77.00   0.00   58
 11  ω     12.00 117.00   0.50    3.00    --   94.60 -61.00 120.00  210
 12  ω    114.00 158.00   0.50    3.00    --   94.60  30.00 -90.00   88
 13  ω     85.00 183.00   0.50    3.00    --   94.60  15.00-150.00  196
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15399
_reflns_number_total             18035
_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 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         1.332
_refine_diff_density_min         -1.750
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     858
_refine_ls_number_reflns         18035
_refine_ls_number_restraints     49
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0552
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0839P)²+91.1623P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1533
_refine_ls_wR_factor_ref         0.1599
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups
2. Restrained distances
 C39S-C38S
 1.6 with sigma of 0.02
 C39S-C36S
 1.6 with sigma of 0.02
 C5S-C8S \\sim C5S-C12S
 with sigma of 0.02
 C10S-C8S \\sim C11S-C12S
 with sigma of 0.02
 C15S-C8S \\sim C14S-C12S
 with sigma of 0.02
 C8S-C9S \\sim C12S-C13S
 with sigma of 0.02
 C5S-C10S \\sim C5S-C11S
 with sigma of 0.04
 C5S-C15S \\sim C5S-C14S
 with sigma of 0.04
 C5S-C9S \\sim C5S-C13S
 with sigma of 0.04
 C10S-C15S \\sim C11S-C14S
 with sigma of 0.04
 C10S-C9S \\sim C11S-C13S
 with sigma of 0.04
 C15S-C9S \\sim C14S-C13S
 with sigma of 0.04
 C27S-C28S \\sim C27S-C43S
 with sigma of 0.02
 C33S-C32S \\sim C44S-C45S
 with sigma of 0.02
 C33S-C28S \\sim C44S-C43S
 with sigma of 0.02
 C32S-C31S \\sim C45S-C40S
 with sigma of 0.02
 C31S-C30S \\sim C40S-C41S
 with sigma of 0.02
 C31S-C34S \\sim C40S-C39S
 with sigma of 0.02
 C30S-C29S \\sim C41S-C42S
 with sigma of 0.02
 C29S-C28S \\sim C42S-C43S
 with sigma of 0.02
 C27S-C33S \\sim C27S-C44S
 with sigma of 0.04
 C27S-C29S \\sim C27S-C42S
 with sigma of 0.04
 C33S-C31S \\sim C44S-C40S
 with sigma of 0.04
 C33S-C29S \\sim C44S-C42S
 with sigma of 0.04
 C32S-C30S \\sim C45S-C41S
 with sigma of 0.04
 C32S-C28S \\sim C45S-C43S
 with sigma of 0.04
 C32S-C34S \\sim C45S-C39S
 with sigma of 0.04
 C31S-C29S \\sim C40S-C42S
 with sigma of 0.04
 C30S-C28S \\sim C41S-C43S
 with sigma of 0.04
 C30S-C34S \\sim C41S-C39S
 with sigma of 0.04
 C7S-C2S \\sim C7T-C2S
 with sigma of 0.02
 C7S-C6S \\sim C7T-C6T
 with sigma of 0.02
 C2S-C3S \\sim C2S-C3T
 with sigma of 0.02
 C3S-C4S \\sim C3T-C4T
 with sigma of 0.02
 C4S-C5S \\sim C4T-C5T
 with sigma of 0.02
 C5S-C6S \\sim C5T-C6T
 with sigma of 0.02
 C5S-C8S \\sim C5T-C8S
 with sigma of 0.02
 C5S-C12S \\sim C5T-C12S
 with sigma of 0.02
 C7S-C5S \\sim C7T-C5T
 with sigma of 0.04
 C2S-C4S \\sim C2S-C4T
 with sigma of 0.04
 C2S-C6S \\sim C2S-C6T
 with sigma of 0.04
 C3S-C5S \\sim C3T-C5T
 with sigma of 0.04
 C4S-C6S \\sim C4T-C6T
 with sigma of 0.04
 C4S-C8S \\sim C4T-C8S
 with sigma of 0.04
 C4S-C12S \\sim C4T-C12S
 with sigma of 0.04
 C6S-C8S \\sim C6T-C8S
 with sigma of 0.04
 C6S-C12S \\sim C6T-C12S
 with sigma of 0.04
3. Rigid bond restraints
 C12S, C6S
 with sigma for 1-2 distances of 2.5 and sigma for 1-3 distances of 2.5
4. Uiso/Uaniso restraints and constraints
Uanis(C38S) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C27S) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C27P) = Uanis(C28P) = Uanis(C29P) = Uanis(C30P) = Uanis(C25P) =
Uanis(C26P)
Uanis(C37S) = Uanis(C36S) = Uanis(C39S) = Uanis(C38S) = Uanis(C34S) =
Uanis(C35S)
5. Others
 Sof(H27C)=Sof(H27D)=Sof(H36D)=Sof(H36E)=Sof(H36F)=Sof(H37D)=Sof(H37E)=
 Sof(H37F)=Sof(C39S)=Sof(C40S)=Sof(C41S)=Sof(H41S)=Sof(C42S)=Sof(H42S)=
 Sof(C43S)=Sof(C44S)=Sof(H44S)=Sof(C45S)=Sof(H45S)=1-FVAR(1)
 Sof(H27A)=Sof(H27B)=Sof(H36A)=Sof(H36B)=Sof(H36C)=Sof(H37A)=Sof(H37B)=
 Sof(H37C)=Sof(C33S)=Sof(H33S)=Sof(C32S)=Sof(H32S)=Sof(C31S)=Sof(C30S)=
 Sof(H30S)=Sof(C29S)=Sof(H29S)=Sof(C28S)=Sof(C34S)=FVAR(1)
 Fixed Sof: C7S(0.515) H7S(0.515) C3S(0.515) H3S(0.515) C4S(0.515) H4S(0.515)
 C5S(0.515) C6S(0.515) H6S(0.515) C8S(0.515) C9S(0.515) H9SA(0.515) H9SB(0.515)
 H9SC(0.515) C10S(0.515) H10A(0.515) H10B(0.515) H10C(0.515) C15S(0.515)
 H15A(0.515) H15B(0.515) H15C(0.515) C35S(0.45788) H35A(0.45788) H35B(0.45788)
 H35C(0.45788) C11S(0.485) H11A(0.485) H11B(0.485) H11C(0.485) C12S(0.485)
 C13S(0.485) H13A(0.485) H13B(0.485) H13C(0.485) C14S(0.485) H14A(0.485)
 H14B(0.485) H14C(0.485) C38S(0.54212) H38A(0.54212) H38B(0.54212)
 H38C(0.54212) C5T(0.485) C6T(0.485) H6T(0.485) C7T(0.485) H7T(0.485)
 C3T(0.485) H3T(0.485) C4T(0.485) H4T(0.485)
6.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C16S(H16A,H16B), C27S(H27A,H27B), C27S(H27C,H27D), C46S(H46A,
 H46B)
6.b Aromatic/amide H refined with riding coordinates:
 C2P(H2P), C3P(H3P), C4P(H4P), C5P(H5P), C6P(H6P), C7S(H7S), C3S(H3S),
 C4S(H4S), C6S(H6S), C8P(H8P), C9P(H9P), C10P(H10P), C11P(H11P), C12P(H12P),
 C14P(H14P), C15P(H15P), C16P(H16P), C17P(H17P), C18P(H18P), C18S(H18S),
 C19S(H19S), C21S(H21S), C22S(H22S), C20P(H20P), C21P(H21P), C22P(H22P),
 C23P(H23P), C24P(H24P), C28P(H28P), C29P(H29P), C30P(H30P), C26P(H26P),
 C27P(H27P), C36P(H36P), C35P(H35P), C34P(H34P), C33P(H33P), C32P(H32P),
 C49S(H49S), C48S(H48S), C52S(H52S), C51S(H51S), C33S(H33S), C32S(H32S),
 C30S(H30S), C29S(H29S), C41S(H41S), C42S(H42S), C44S(H44S), C45S(H45S),
 C6T(H6T), C7T(H7T), C3T(H3T), C4T(H4T)
6.c Fitted hexagon refined as free rotating group:
 C7S(C2S,C3S,C4S,C5S,C6S), C18S(C19S,C20S,C21S,C22S,C17S), C28P(C29P,C30P,C25P,
 C26P,C27P), C31P(C36P,C35P,C34P,C33P,C32P), C50S(C49S,C48S,C47S,C52S,C51S),
 C33S(C32S,C31S,C30S,C29S,C28S)
6.d Idealised Me refined as rotating group:
 C24S(H24A,H24B,H24C), C25S(H25A,H25B,H25C), C26S(H26A,H26B,H26C), C36S(H36A,
 H36B,H36C), C36S(H36D,H36E,H36F), C37S(H37A,H37B,H37C), C37S(H37D,H37E,H37F),
 C54S(H54A,H54B,H54C), C55S(H55A,H55B,H55C), C56S(H56A,H56B,H56C), C9S(H9SA,
 H9SB,H9SC), C10S(H10A,H10B,H10C), C15S(H15A,H15B,H15C), C35S(H35A,H35B,H35C),
 C11S(H11A,H11B,H11C), C13S(H13A,H13B,H13C), C14S(H14A,H14B,H14C), C38S(H38A,
 H38B,H38C)
;
_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
Ag1C Ag 0.17696(2) 0.19544(2) 0.12388(2) 0.05312(11) Uani 1 1 d . . . . .
Ag1M Ag 0.250000 0.250000 0.03282(2) 0.04048(14) Uani 1 4 d S T P . .
Ag1P Ag 0.11156(2) 0.14996(2) 0.06465(2) 0.06803(14) Uani 1 1 d . . . . .
Ag2C Ag 0.23566(2) 0.16283(2) 0.07631(2) 0.04757(10) Uani 1 1 d . . . . .
Ag2M Ag 0.250000 0.250000 0.16688(2) 0.04966(16) Uani 1 4 d S T P . .
Ag2P Ag 0.22152(2) 0.07908(2) 0.13742(2) 0.07459(15) Uani 1 1 d . . . . .
S0 S 0.250000 0.250000 0.10106(5) 0.0437(5) Uani 1 4 d S T P . .
S1T S 0.18812(5) 0.17606(5) 0.03325(2) 0.0489(3) Uani 1 1 d . . . . .
S2T S 0.14482(5) 0.11142(6) 0.11135(2) 0.0594(3) Uani 1 1 d . . . . .
S3 S 0.27249(5) 0.08117(5) 0.09024(2) 0.0511(3) Uani 1 1 d . . . . .
S3T S 0.15459(6) 0.24038(5) 0.16647(2) 0.0603(3) Uani 1 1 d . . . . .
P1 P 0.22663(8) 0.00112(7) 0.16292(3) 0.0773(5) Uani 1 1 d . . . . .
P5 P 0.05894(5) 0.09197(5) 0.03925(2) 0.0541(3) Uani 1 1 d . . . . .
C1P C 0.0026(2) 0.0681(2) 0.05571(10) 0.0592(13) Uani 1 1 d . . . . .
C1S C 0.1342(2) 0.1897(2) 0.18867(9) 0.0558(12) Uani 1 1 d . . . . .
H1SA H 0.102391 0.175779 0.181724 0.067 Uiso 1 1 calc R U . . .
H1SB H 0.159519 0.162631 0.188106 0.067 Uiso 1 1 calc R U . . .
C2P C -0.0135(2) 0.0189(2) 0.05328(10) 0.0588(13) Uani 1 1 d . . . . .
H2P H 0.004613 -0.003703 0.042247 0.071 Uiso 1 1 calc R U . . .
C3P C -0.0558(2) 0.0024(3) 0.06687(10) 0.0686(16) Uani 1 1 d . . . . .
H3P H -0.065890 -0.031647 0.065575 0.082 Uiso 1 1 calc R U . . .
C4P C -0.0828(3) 0.0351(3) 0.08206(13) 0.082(2) Uani 1 1 d . . . . .
H4P H -0.112084 0.023925 0.091078 0.099 Uiso 1 1 calc R U . . .
C5P C -0.0676(3) 0.0848(3) 0.08434(15) 0.091(2) Uani 1 1 d . . . . .
H5P H -0.086533 0.107381 0.094938 0.109 Uiso 1 1 calc R U . . .
C6P C -0.0250(3) 0.1015(3) 0.07130(13) 0.0766(18) Uani 1 1 d . . . . .
H6P H -0.014677 0.135411 0.072954 0.092 Uiso 1 1 calc R U . . .
C7P C 0.03608(19) 0.11413(19) 0.00723(9) 0.0507(11) Uani 1 1 d . . . . .
C7S C 0.1501(3) 0.2422(3) 0.23226(16) 0.077(8) Uani 0.515 1 d DG . P A 1
H7S H 0.176975 0.260596 0.224656 0.093 Uiso 0.515 1 calc R U P A 1
C2S C 0.1264(2) 0.20501(19) 0.21748(8) 0.0600(14) Uani 1 1 d DG . . . .
C3S C 0.0871(4) 0.1780(4) 0.22861(17) 0.089(7) Uani 0.515 1 d DG . P A 1
H3S H 0.070848 0.152636 0.218503 0.106 Uiso 0.515 1 calc R U P A 1
C4S C 0.0714(5) 0.1882(5) 0.25451(19) 0.099(7) Uani 0.515 1 d DG . P A 1
H4S H 0.044544 0.169739 0.262119 0.119 Uiso 0.515 1 calc R U P A 1
C5S C 0.0951(4) 0.2253(5) 0.26930(11) 0.067(3) Uani 0.515 1 d DG . P A 1
C6S C 0.1345(4) 0.2523(4) 0.25817(16) 0.061(3) Uani 0.515 1 d DG . P A 1
H6S H 0.150670 0.277700 0.268273 0.074 Uiso 0.515 1 calc R U P A 1
C8P C -0.0072(2) 0.0953(2) -0.00480(11) 0.0596(13) Uani 1 1 d . . . . .
H8P H -0.026616 0.070539 0.004100 0.072 Uiso 1 1 calc R U . . .
C9P C -0.0220(2) 0.1125(3) -0.02969(12) 0.0696(16) Uani 1 1 d . . . . .
H9P H -0.050906 0.098805 -0.038009 0.083 Uiso 1 1 calc R U . . .
C10P C 0.0048(2) 0.1494(3) -0.04238(12) 0.0689(16) Uani 1 1 d . . . . .
H10P H -0.005730 0.161415 -0.059326 0.083 Uiso 1 1 calc R U . . .
C11P C 0.0474(2) 0.1692(2) -0.03049(11) 0.0595(13) Uani 1 1 d . . . . .
H11P H 0.065592 0.195029 -0.039193 0.071 Uiso 1 1 calc R U . . .
C12P C 0.0636(2) 0.1512(2) -0.00580(10) 0.0538(12) Uani 1 1 d . . . . .
H12P H 0.093190 0.164245 0.002115 0.065 Uiso 1 1 calc R U . . .
C13P C 0.0928(2) 0.0350(2) 0.03053(10) 0.0534(12) Uani 1 1 d . . . . .
C14P C 0.1003(2) 0.0190(2) 0.00441(10) 0.0568(12) Uani 1 1 d . . . . .
H14P H 0.085996 0.037572 -0.009884 0.068 Uiso 1 1 calc R U . . .
C15P C 0.1281(2) -0.0232(2) -0.00110(12) 0.0639(14) Uani 1 1 d . . . . .
H15P H 0.133042 -0.033481 -0.019063 0.077 Uiso 1 1 calc R U . . .
C16P C 0.1488(2) -0.0505(2) 0.01947(14) 0.0713(16) Uani 1 1 d . . . . .
H16P H 0.168207 -0.079565 0.015761 0.086 Uiso 1 1 calc R U . . .
C16S C 0.0842(2) 0.1113(3) 0.12964(12) 0.0699(16) Uani 1 1 d . . . . .
H16A H 0.086827 0.133963 0.145241 0.084 Uiso 1 1 calc R U . . .
H16B H 0.057670 0.124682 0.117783 0.084 Uiso 1 1 calc R U . . .
C17P C 0.1410(2) -0.0351(3) 0.04600(13) 0.0738(17) Uani 1 1 d . . . . .
H17P H 0.154821 -0.054025 0.060277 0.089 Uiso 1 1 calc R U . . .
C18P C 0.1139(2) 0.0069(2) 0.05130(11) 0.0642(14) Uani 1 1 d . . . . .
H18P H 0.109178 0.017198 0.069268 0.077 Uiso 1 1 calc R U . . .
C18S C 0.07902(18) 0.04480(16) 0.16528(6) 0.080(2) Uani 1 1 d G . . . .
H18S H 0.096763 0.066595 0.176915 0.096 Uiso 1 1 calc R U . . .
C19S C 0.0631(2) -0.00177(18) 0.17434(6) 0.090(2) Uani 1 1 d G . . . .
H19S H 0.069958 -0.011802 0.192168 0.108 Uiso 1 1 calc R U . . .
C20S C 0.0371(2) -0.03366(14) 0.15733(8) 0.091(2) Uani 1 1 d G . . . .
C21S C 0.0271(2) -0.01899(16) 0.13125(7) 0.094(3) Uani 1 1 d G . . . .
H21S H 0.009335 -0.040783 0.119616 0.112 Uiso 1 1 calc R U . . .
C22S C 0.04300(19) 0.02758(17) 0.12219(6) 0.085(2) Uani 1 1 d G . . . .
H22S H 0.036139 0.037613 0.104363 0.102 Uiso 1 1 calc R U . . .
C17S C 0.06897(18) 0.05948(14) 0.13920(7) 0.0706(17) Uani 1 1 d G . . . .
C19P C 0.2007(4) -0.0537(3) 0.14635(13) 0.096(3) Uani 1 1 d . . . . .
C20P C 0.2211(5) -0.1016(4) 0.1496(2) 0.122(3) Uani 1 1 d . . . . .
H20P H 0.249080 -0.107284 0.160915 0.147 Uiso 1 1 calc R U . . .
C21P C 0.1981(6) -0.1417(4) 0.1352(3) 0.145(5) Uani 1 1 d . . . . .
H21P H 0.210935 -0.174825 0.136720 0.173 Uiso 1 1 calc R U . . .
C22P C 0.1572(5) -0.1324(6) 0.1189(2) 0.138(5) Uani 1 1 d . . . . .
H22P H 0.142019 -0.159398 0.109620 0.165 Uiso 1 1 calc R U . . .
C23P C 0.1387(4) -0.0864(5) 0.11601(16) 0.119(4) Uani 1 1 d . . . . .
H23P H 0.110885 -0.081245 0.104468 0.143 Uiso 1 1 calc R U . . .
C23S C 0.0177(4) -0.0853(4) 0.16791(15) 0.115(3) Uani 1 1 d . . . . .
C24P C 0.1590(3) -0.0461(3) 0.12944(13) 0.095(3) Uani 1 1 d . . . . .
H24P H 0.145082 -0.013547 0.127352 0.114 Uiso 1 1 calc R U . . .
C24S C -0.0317(4) -0.0760(4) 0.18234(19) 0.148(5) Uani 1 1 d . . . . .
H24A H -0.025994 -0.053700 0.197560 0.222 Uiso 1 1 calc R U . . .
H24B H -0.045269 -0.107983 0.188711 0.222 Uiso 1 1 calc R U . . .
H24C H -0.055582 -0.060483 0.170012 0.222 Uiso 1 1 calc R U . . .
C25S C 0.0086(4) -0.1235(4) 0.14510(18) 0.130(4) Uani 1 1 d . . . . .
H25A H -0.018958 -0.111798 0.133801 0.195 Uiso 1 1 calc R U . . .
H25B H -0.000058 -0.156174 0.152773 0.195 Uiso 1 1 calc R U . . .
H25C H 0.039081 -0.126780 0.134329 0.195 Uiso 1 1 calc R U . . .
C26S C 0.0558(5) -0.1079(4) 0.1872(2) 0.163(6) Uani 1 1 d . . . . .
H26A H 0.087219 -0.114542 0.177686 0.245 Uiso 1 1 calc R U . . .
H26B H 0.042617 -0.139287 0.194473 0.245 Uiso 1 1 calc R U . . .
H26C H 0.062118 -0.084295 0.201808 0.245 Uiso 1 1 calc R U . . .
C27S C 0.2331(3) 0.0395(3) 0.07015(18) 0.102(3) Uani 1 1 d D U . . .
H27A H 0.202553 0.032202 0.080681 0.122 Uiso 0.510(8) 1 calc R U P B 1
H27B H 0.222292 0.058495 0.054186 0.122 Uiso 0.510(8) 1 calc R U P B 1
H27C H 0.202634 0.030210 0.080297 0.122 Uiso 0.490(8) 1 calc R U P B 2
H27D H 0.222597 0.056698 0.053563 0.122 Uiso 0.490(8) 1 calc R U P B 2
C28P C 0.3893(2) -0.0428(3) 0.18229(13) 0.1358(16) Uani 1 1 d G . . . .
H28P H 0.423077 -0.051752 0.185975 0.163 Uiso 1 1 calc R U . . .
C29P C 0.3741(2) -0.0349(3) 0.15610(11) 0.1358(16) Uani 1 1 d G . . . .
H29P H 0.397355 -0.038442 0.141886 0.163 Uiso 1 1 calc R U . . .
C30P C 0.3247(3) -0.0218(3) 0.15070(10) 0.1358(16) Uani 1 1 d G . . . .
H30P H 0.314252 -0.016375 0.132800 0.163 Uiso 1 1 calc R U . . .
C25P C 0.2906(2) -0.0166(3) 0.17149(13) 0.1358(16) Uani 1 1 d G . . . .
C26P C 0.3059(2) -0.0245(3) 0.19768(11) 0.1358(16) Uani 1 1 d G . . . .
H26P H 0.282590 -0.020928 0.211891 0.163 Uiso 1 1 calc R U . . .
C27P C 0.3553(3) -0.0376(3) 0.20308(10) 0.1358(16) Uani 1 1 d G . . . .
H27P H 0.365693 -0.042995 0.220978 0.163 Uiso 1 1 calc R U . . .
C31P C 0.19441(19) 0.00198(17) 0.19516(6) 0.082(2) Uani 1 1 d G . . . .
C36P C 0.18733(19) 0.04816(15) 0.20741(8) 0.081(2) Uani 1 1 d G . . . .
H36P H 0.199154 0.077841 0.199065 0.097 Uiso 1 1 calc R U . . .
C35P C 0.1629(2) 0.05090(19) 0.23189(8) 0.107(3) Uani 1 1 d G . . . .
H35P H 0.158090 0.082464 0.240260 0.128 Uiso 1 1 calc R U . . .
C34P C 0.1456(2) 0.0075(3) 0.24410(7) 0.129(4) Uani 1 1 d G . . . .
H34P H 0.128957 0.009352 0.260827 0.155 Uiso 1 1 calc R U . . .
C33P C 0.1527(3) -0.0387(2) 0.23185(9) 0.132(4) Uani 1 1 d G . . . .
H33P H 0.140888 -0.068385 0.240199 0.158 Uiso 1 1 calc R U . . .
C32P C 0.1771(2) -0.04145(15) 0.20738(8) 0.110(3) Uani 1 1 d G . . . .
H32P H 0.181952 -0.073010 0.199004 0.132 Uiso 1 1 calc R U . . .
C36S C 0.2743(3) -0.1859(3) 0.0306(2) 0.118(2) Uani 1 1 d D . . . .
H36A H 0.288801 -0.217685 0.024586 0.178 Uiso 0.510(8) 1 calc R U P B 1
H36B H 0.240641 -0.182112 0.022978 0.178 Uiso 0.510(8) 1 calc R U P B 1
H36C H 0.272173 -0.185623 0.050084 0.178 Uiso 0.510(8) 1 calc R U P B 1
H36D H 0.247419 -0.206219 0.038327 0.178 Uiso 0.490(8) 1 calc R U P B 2
H36E H 0.294051 -0.206467 0.018251 0.178 Uiso 0.490(8) 1 calc R U P B 2
H36F H 0.259661 -0.157599 0.020813 0.178 Uiso 0.490(8) 1 calc R U P B 2
C37S C 0.3610(3) -0.1602(3) 0.0377(2) 0.118(2) Uani 1 1 d . . . . .
H37A H 0.352056 -0.171952 0.055603 0.178 Uiso 0.510(8) 1 calc R U P B 1
H37B H 0.383938 -0.131682 0.039128 0.178 Uiso 0.510(8) 1 calc R U P B 1
H37C H 0.377320 -0.187357 0.027819 0.178 Uiso 0.510(8) 1 calc R U P B 1
H37D H 0.359608 -0.186017 0.023801 0.178 Uiso 0.490(8) 1 calc R U P B 2
H37E H 0.390764 -0.165395 0.048784 0.178 Uiso 0.490(8) 1 calc R U P B 2
H37F H 0.362644 -0.127051 0.029330 0.178 Uiso 0.490(8) 1 calc R U P B 2
C46S C 0.20922(19) 0.12543(18) 0.01076(9) 0.0473(10) Uani 1 1 d . . . . .
H46A H 0.246217 0.123389 0.011545 0.057 Uiso 1 1 calc R U . . .
H46B H 0.195699 0.093210 0.017382 0.057 Uiso 1 1 calc R U . . .
C50S C 0.16376(13) 0.14057(11) -0.07143(4) 0.0501(11) Uani 1 1 d G . . . .
C49S C 0.17224(13) 0.18341(9) -0.05631(5) 0.0481(10) Uani 1 1 d G . . . .
H49S H 0.167927 0.215564 -0.064103 0.058 Uiso 1 1 calc R U . . .
C48S C 0.18703(12) 0.17919(9) -0.02980(5) 0.0445(10) Uani 1 1 d G . . . .
H48S H 0.192827 0.208471 -0.019476 0.053 Uiso 1 1 calc R U . . .
C47S C 0.19334(12) 0.13214(11) -0.01841(4) 0.0436(10) Uani 1 1 d G . . . .
C52S C 0.18486(13) 0.08930(8) -0.03352(5) 0.0500(11) Uani 1 1 d G . . . .
H52S H 0.189179 0.057141 -0.025727 0.060 Uiso 1 1 calc R U . . .
C51S C 0.17007(14) 0.09351(9) -0.06003(5) 0.0560(13) Uani 1 1 d G . . . .
H51S H 0.164279 0.064233 -0.070355 0.067 Uiso 1 1 calc R U . . .
C53S C 0.1457(2) 0.1468(2) -0.10082(9) 0.0572(13) Uani 1 1 d . . . . .
C54S C 0.1334(3) 0.0966(3) -0.11398(11) 0.083(2) Uani 1 1 d . . . . .
H54A H 0.163307 0.075386 -0.114011 0.124 Uiso 1 1 calc R U . . .
H54B H 0.122371 0.102378 -0.132391 0.124 Uiso 1 1 calc R U . . .
H54C H 0.106581 0.079998 -0.103974 0.124 Uiso 1 1 calc R U . . .
C55S C 0.1874(2) 0.1709(3) -0.11746(10) 0.0670(16) Uani 1 1 d . . . . .
H55A H 0.197168 0.202860 -0.109333 0.101 Uiso 1 1 calc R U . . .
H55B H 0.175209 0.176913 -0.135648 0.101 Uiso 1 1 calc R U . . .
H55C H 0.216382 0.148481 -0.118052 0.101 Uiso 1 1 calc R U . . .
C56S C 0.0986(2) 0.1809(3) -0.10165(10) 0.0695(16) Uani 1 1 d . . . . .
H56A H 0.071117 0.164719 -0.091976 0.104 Uiso 1 1 calc R U . . .
H56B H 0.088639 0.186475 -0.120242 0.104 Uiso 1 1 calc R U . . .
H56C H 0.106342 0.213171 -0.093239 0.104 Uiso 1 1 calc R U . . .
C8S C 0.0787(5) 0.2397(6) 0.2990(2) 0.081(4) Uani 0.515 1 d D . P A 1
C9S C 0.0208(5) 0.2540(6) 0.2979(3) 0.091(4) Uani 0.515 1 d D . P A 1
H9SA H 0.017178 0.289196 0.292681 0.136 Uiso 0.515 1 calc R U P A 1
H9SB H 0.005749 0.249011 0.315592 0.136 Uiso 0.515 1 calc R U P A 1
H9SC H 0.003705 0.232645 0.284878 0.136 Uiso 0.515 1 calc R U P A 1
C10S C 0.0825(10) 0.1925(10) 0.3157(5) 0.119(12) Uani 0.515 1 d D . P A 1
H10A H 0.053589 0.170892 0.312084 0.179 Uiso 0.515 1 calc R U P A 1
H10B H 0.082889 0.201455 0.334701 0.179 Uiso 0.515 1 calc R U P A 1
H10C H 0.113401 0.174603 0.311218 0.179 Uiso 0.515 1 calc R U P A 1
C15S C 0.1070(10) 0.2835(9) 0.3103(4) 0.133(12) Uani 0.515 1 d D . P A 1
H15A H 0.143031 0.278376 0.307586 0.199 Uiso 0.515 1 calc R U P A 1
H15B H 0.100000 0.286449 0.329409 0.199 Uiso 0.515 1 calc R U P A 1
H15C H 0.096538 0.314254 0.301167 0.199 Uiso 0.515 1 calc R U P A 1
C33S C 0.2563(4) -0.0543(3) 0.07452(12) 0.054(3) Uani 0.510(8) 1 d DG . P B 1
H33S H 0.245856 -0.056027 0.092631 0.065 Uiso 0.510(8) 1 calc R U P B 1
C32S C 0.2742(3) -0.0969(2) 0.06174(15) 0.058(3) Uani 0.510(8) 1 d DG . P B 1
H32S H 0.275997 -0.127767 0.071125 0.069 Uiso 0.510(8) 1 calc R U P B 1
C31S C 0.2894(3) -0.0943(2) 0.03524(15) 0.049(3) Uani 0.510(8) 1 d DG . P B 1
C30S C 0.2867(3) -0.0492(3) 0.02151(11) 0.049(2) Uani 0.510(8) 1 d DG . P B 1
H30S H 0.297061 -0.047422 0.003400 0.058 Uiso 0.510(8) 1 calc R U P B 1
C29S C 0.2688(4) -0.0066(2) 0.03429(14) 0.048(3) Uani 0.510(8) 1 d DG . P B 1
H29S H 0.266921 0.024319 0.024905 0.057 Uiso 0.510(8) 1 calc R U P B 1
C28S C 0.2536(4) -0.0091(3) 0.06079(15) 0.046(4) Uani 0.510(8) 1 d DG . P B 1
C34S C 0.3078(7) -0.1420(6) 0.0211(5) 0.118(2) Uani 0.510(8) 1 d D . P B 1
C35S C 0.3150(8) -0.1347(7) -0.0095(5) 0.118(2) Uani 0.4579 1 d . . P B 1
H35A H 0.319972 -0.167403 -0.017963 0.178 Uiso 0.4579 1 calc R U P B 1
H35B H 0.344408 -0.113566 -0.012676 0.178 Uiso 0.4579 1 calc R U P B 1
H35C H 0.285219 -0.118588 -0.016988 0.178 Uiso 0.4579 1 calc R U P B 1
C11S C 0.0959(11) 0.2118(9) 0.3189(5) 0.082(7) Uani 0.485 1 d D . P A 2
H11A H 0.060906 0.211962 0.312979 0.123 Uiso 0.485 1 calc R U P A 2
H11B H 0.097715 0.222782 0.337526 0.123 Uiso 0.485 1 calc R U P A 2
H11C H 0.109505 0.177830 0.317344 0.123 Uiso 0.485 1 calc R U P A 2
C12S C 0.1263(5) 0.2473(5) 0.30147(19) 0.059(3) Uani 0.485 1 d D . P A 2
C13S C 0.0983(11) 0.3000(8) 0.3022(4) 0.093(7) Uani 0.485 1 d D . P A 2
H13A H 0.118974 0.325338 0.293391 0.140 Uiso 0.485 1 calc R U P A 2
H13B H 0.092529 0.309821 0.320843 0.140 Uiso 0.485 1 calc R U P A 2
H13C H 0.066067 0.297156 0.292983 0.140 Uiso 0.485 1 calc R U P A 2
C14S C 0.1783(5) 0.2531(5) 0.31281(18) 0.067(3) Uani 0.485 1 d D . P A 2
H14A H 0.197665 0.222561 0.309363 0.101 Uiso 0.485 1 calc R U P A 2
H14B H 0.176171 0.258759 0.332107 0.101 Uiso 0.485 1 calc R U P A 2
H14C H 0.194952 0.281704 0.304342 0.101 Uiso 0.485 1 calc R U P A 2
C38S C 0.3132(7) -0.1923(6) 0.0842(4) 0.118(2) Uani 0.5421 1 d D U P B 2
H38A H 0.281996 -0.185410 0.093804 0.178 Uiso 0.5421 1 calc R U P B 2
H38B H 0.341698 -0.180300 0.094803 0.178 Uiso 0.5421 1 calc R U P B 2
H38C H 0.316515 -0.228426 0.081284 0.178 Uiso 0.5421 1 calc R U P B 2
C39S C 0.3125(6) -0.1636(5) 0.0557(4) 0.118(2) Uani 0.490(8) 1 d D . P B 2
C40S C 0.2986(5) -0.1078(4) 0.0589(2) 0.063(4) Uani 0.490(8) 1 d D . P B 2
C41S C 0.2986(6) -0.0754(5) 0.0368(3) 0.078(6) Uani 0.490(8) 1 d D . P B 2
H41S H 0.310712 -0.086899 0.020080 0.093 Uiso 0.490(8) 1 calc R U P B 2
C42S C 0.2809(6) -0.0264(5) 0.0394(2) 0.066(4) Uani 0.490(8) 1 d D . P B 2
H42S H 0.281216 -0.005322 0.024113 0.079 Uiso 0.490(8) 1 calc R U P B 2
C43S C 0.2629(9) -0.0069(5) 0.0634(3) 0.070(6) Uani 0.490(8) 1 d D . P B 2
C44S C 0.2645(5) -0.0397(4) 0.0851(2) 0.058(3) Uani 0.490(8) 1 d D . P B 2
H44S H 0.253974 -0.027612 0.102005 0.070 Uiso 0.490(8) 1 calc R U P B 2
C45S C 0.2805(4) -0.0890(4) 0.0833(2) 0.058(3) Uani 0.490(8) 1 d D . P B 2
H45S H 0.279362 -0.110125 0.098534 0.070 Uiso 0.490(8) 1 calc R U P B 2
C5T C 0.1276(5) 0.2321(4) 0.27260(19) 0.052(3) Uani 0.485 1 d D . P A 2
C6T C 0.1608(5) 0.2542(5) 0.2548(2) 0.057(3) Uani 0.485 1 d D . P A 2
H6T H 0.184934 0.277732 0.260935 0.069 Uiso 0.485 1 calc R U P A 2
C7T C 0.1584(8) 0.2416(6) 0.2275(3) 0.064(5) Uani 0.485 1 d D . P A 2
H7T H 0.179695 0.258788 0.215394 0.076 Uiso 0.485 1 calc R U P A 2
C3T C 0.0961(8) 0.1829(7) 0.2357(3) 0.075(5) Uani 0.485 1 d D . P A 2
H3T H 0.073849 0.157521 0.229619 0.090 Uiso 0.485 1 calc R U P A 2
C4T C 0.0954(7) 0.1944(6) 0.2621(2) 0.077(5) Uani 0.485 1 d D . P A 2
H4T H 0.073080 0.177221 0.273642 0.092 Uiso 0.485 1 calc R U P A 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
Ag1C Ag1C 3.4418(6) 2 ?
Ag1C Ag2C 2.9819(5) . ?
Ag1C Ag2C 3.0338(5) 4 ?
Ag1C Ag2M 3.2502(6) . ?
Ag1C S0 2.6888(11) . ?
Ag1C S2T 2.4822(15) . ?
Ag1C S3T 2.5194(13) . ?
Ag1M Ag2C 3.2107(5) . ?
Ag1M Ag2C 3.2107(5) 2 ?
Ag1M Ag2C 3.2107(5) 3 ?
Ag1M Ag2C 3.2107(5) 4 ?
Ag1M S1T 2.5738(13) . ?
Ag1M S1T 2.5738(13) 4 ?
Ag1M S1T 2.5738(13) 2 ?
Ag1M S1T 2.5738(13) 3 ?
Ag1P S1T 2.6714(13) . ?
Ag1P S2T 2.7054(14) . ?
Ag1P S3 2.5665(14) 4 ?
Ag1P P5 2.4472(14) . ?
Ag2C Ag2C 3.3353(5) 4 ?
Ag2C Ag2C 3.3352(5) 2 ?
Ag2C S0 2.6644(11) . ?
Ag2C S1T 2.5275(12) . ?
Ag2C S3 2.4910(13) . ?
Ag2M S3T 2.5600(16) 3 ?
Ag2M S3T 2.5600(16) 2 ?
Ag2M S3T 2.5599(16) . ?
Ag2M S3T 2.5600(16) 4 ?
Ag2P S2T 2.5773(15) . ?
Ag2P S3 2.7278(14) . ?
Ag2P S3T 2.6862(16) 2 ?
Ag2P P1 2.4459(17) . ?
S1T C46S 1.848(5) . ?
S2T C16S 1.861(6) . ?
S3 C27S 1.832(7) . ?
S3T C1S 1.834(5) . ?
P1 C19P 1.819(8) . ?
P1 C25P 1.823(5) . ?
P1 C31P 1.830(4) . ?
P5 C1P 1.830(6) . ?
P5 C7P 1.815(5) . ?
P5 C13P 1.822(6) . ?
C1P C2P 1.388(8) . ?
C1P C6P 1.394(8) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C1S C2S 1.514(6) . ?
C2P H2P 0.9500 . ?
C2P C3P 1.391(8) . ?
C3P H3P 0.9500 . ?
C3P C4P 1.364(10) . ?
C4P H4P 0.9500 . ?
C4P C5P 1.392(10) . ?
C5P H5P 0.9500 . ?
C5P C6P 1.385(9) . ?
C6P H6P 0.9500 . ?
C7P C8P 1.398(7) . ?
C7P C12P 1.395(7) . ?
C7S H7S 0.9500 . ?
C7S C2S 1.3900 . ?
C7S C6S 1.3900 . ?
C2S C3S 1.3900 . ?
C2S C7T 1.391(14) . ?
C2S C3T 1.356(13) . ?
C3S H3S 0.9500 . ?
C3S C4S 1.3900 . ?
C4S H4S 0.9500 . ?
C4S C5S 1.3900 . ?
C5S C6S 1.3900 . ?
C5S C8S 1.598(12) . ?
C6S H6S 0.9500 . ?
C8P H8P 0.9500 . ?
C8P C9P 1.386(8) . ?
C9P H9P 0.9500 . ?
C9P C10P 1.374(8) . ?
C10P H10P 0.9500 . ?
C10P C11P 1.386(8) . ?
C11P H11P 0.9500 . ?
C11P C12P 1.395(7) . ?
C12P H12P 0.9500 . ?
C13P C14P 1.391(7) . ?
C13P C18P 1.401(7) . ?
C14P H14P 0.9500 . ?
C14P C15P 1.379(8) . ?
C15P H15P 0.9500 . ?
C15P C16P 1.378(9) . ?
C16P H16P 0.9500 . ?
C16P C17P 1.407(9) . ?
C16S H16A 0.9900 . ?
C16S H16B 0.9900 . ?
C16S C17S 1.520(7) . ?
C17P H17P 0.9500 . ?
C17P C18P 1.360(9) . ?
C18P H18P 0.9500 . ?
C18S H18S 0.9500 . ?
C18S C19S 1.3900 . ?
C18S C17S 1.3900 . ?
C19S H19S 0.9500 . ?
C19S C20S 1.3900 . ?
C20S C21S 1.3900 . ?
C20S C23S 1.565(8) . ?
C21S H21S 0.9500 . ?
C21S C22S 1.3900 . ?
C22S H22S 0.9500 . ?
C22S C17S 1.3900 . ?
C19P C20P 1.400(13) . ?
C19P C24P 1.414(12) . ?
C20P H20P 0.9500 . ?
C20P C21P 1.430(15) . ?
C21P H21P 0.9500 . ?
C21P C22P 1.385(18) . ?
C22P H22P 0.9500 . ?
C22P C23P 1.331(17) . ?
C23P H23P 0.9500 . ?
C23P C24P 1.381(11) . ?
C23S C24S 1.525(15) . ?
C23S C25S 1.551(13) . ?
C23S C26S 1.527(14) . ?
C24P H24P 0.9500 . ?
C24S H24A 0.9800 . ?
C24S H24B 0.9800 . ?
C24S H24C 0.9800 . ?
C25S H25A 0.9800 . ?
C25S H25B 0.9800 . ?
C25S H25C 0.9800 . ?
C26S H26A 0.9800 . ?
C26S H26B 0.9800 . ?
C26S H26C 0.9800 . ?
C27S H27A 0.9900 . ?
C27S H27B 0.9900 . ?
C27S H27C 0.9900 . ?
C27S H27D 0.9900 . ?
C27S C28S 1.484(9) . ?
C27S C43S 1.509(14) . ?
C28P H28P 0.9500 . ?
C28P C29P 1.3900 . ?
C28P C27P 1.3900 . ?
C29P H29P 0.9500 . ?
C29P C30P 1.3900 . ?
C30P H30P 0.9500 . ?
C30P C25P 1.3900 . ?
C25P C26P 1.3900 . ?
C26P H26P 0.9500 . ?
C26P C27P 1.3900 . ?
C27P H27P 0.9500 . ?
C31P C36P 1.3900 . ?
C31P C32P 1.3900 . ?
C36P H36P 0.9500 . ?
C36P C35P 1.3900 . ?
C35P H35P 0.9500 . ?
C35P C34P 1.3900 . ?
C34P H34P 0.9500 . ?
C34P C33P 1.3900 . ?
C33P H33P 0.9500 . ?
C33P C32P 1.3900 . ?
C32P H32P 0.9500 . ?
C36S H36A 0.9800 . ?
C36S H36B 0.9800 . ?
C36S H36C 0.9800 . ?
C36S H36D 0.9800 . ?
C36S H36E 0.9800 . ?
C36S H36F 0.9800 . ?
C36S C34S 1.548(19) . ?
C36S C39S 1.725(15) . ?
C37S H37A 0.9800 . ?
C37S H37B 0.9800 . ?
C37S H37C 0.9800 . ?
C37S H37D 0.9800 . ?
C37S H37E 0.9800 . ?
C37S H37F 0.9800 . ?
C37S C34S 1.72(2) . ?
C37S C39S 1.58(2) . ?
C46S H46A 0.9900 . ?
C46S H46B 0.9900 . ?
C46S C47S 1.532(5) . ?
C50S C49S 1.3900 . ?
C50S C51S 1.3900 . ?
C50S C53S 1.559(5) . ?
C49S H49S 0.9500 . ?
C49S C48S 1.3900 . ?
C48S H48S 0.9500 . ?
C48S C47S 1.3900 . ?
C47S C52S 1.3900 . ?
C52S H52S 0.9500 . ?
C52S C51S 1.3900 . ?
C51S H51S 0.9500 . ?
C53S C54S 1.528(8) . ?
C53S C55S 1.533(8) . ?
C53S C56S 1.552(9) . ?
C54S H54A 0.9800 . ?
C54S H54B 0.9800 . ?
C54S H54C 0.9800 . ?
C55S H55A 0.9800 . ?
C55S H55B 0.9800 . ?
C55S H55C 0.9800 . ?
C56S H56A 0.9800 . ?
C56S H56B 0.9800 . ?
C56S H56C 0.9800 . ?
C8S C9S 1.594(17) . ?
C8S C10S 1.516(19) . ?
C8S C15S 1.50(2) . ?
C9S H9SA 0.9800 . ?
C9S H9SB 0.9800 . ?
C9S H9SC 0.9800 . ?
C10S H10A 0.9800 . ?
C10S H10B 0.9800 . ?
C10S H10C 0.9800 . ?
C15S H15A 0.9800 . ?
C15S H15B 0.9800 . ?
C15S H15C 0.9800 . ?
C33S H33S 0.9500 . ?
C33S C32S 1.3900 . ?
C33S C28S 1.3900 . ?
C32S H32S 0.9500 . ?
C32S C31S 1.3900 . ?
C31S C30S 1.3900 . ?
C31S C34S 1.537(14) . ?
C30S H30S 0.9500 . ?
C30S C29S 1.3900 . ?
C29S H29S 0.9500 . ?
C29S C28S 1.3900 . ?
C34S C35S 1.55(3) . ?
C35S H35A 0.9800 . ?
C35S H35B 0.9800 . ?
C35S H35C 0.9800 . ?
C11S H11A 0.9800 . ?
C11S H11B 0.9800 . ?
C11S H11C 0.9800 . ?
C11S C12S 1.523(19) . ?
C12S C13S 1.59(2) . ?
C12S C14S 1.507(16) . ?
C12S C5T 1.503(13) . ?
C13S H13A 0.9800 . ?
C13S H13B 0.9800 . ?
C13S H13C 0.9800 . ?
C14S H14A 0.9800 . ?
C14S H14B 0.9800 . ?
C14S H14C 0.9800 . ?
C38S H38A 0.9800 . ?
C38S H38B 0.9800 . ?
C38S H38C 0.9800 . ?
C38S C39S 1.621(16) . ?
C39S C40S 1.545(16) . ?
C40S C41S 1.403(14) . ?
C40S C45S 1.404(12) . ?
C41S H41S 0.9500 . ?
C41S C42S 1.398(14) . ?
C42S H42S 0.9500 . ?
C42S C43S 1.397(14) . ?
C43S C44S 1.395(14) . ?
C44S H44S 0.9500 . ?
C44S C45S 1.388(12) . ?
C45S H45S 0.9500 . ?
C5T C6T 1.390(12) . ?
C5T C4T 1.426(13) . ?
C6T H6T 0.9500 . ?
C6T C7T 1.409(15) . ?
C7T H7T 0.9500 . ?
C3T H3T 0.9500 . ?
C3T C4T 1.355(13) . ?
C4T H4T 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ag2C Ag1C Ag1C 55.811(11) . 2 ?
Ag2C Ag1C Ag1C 102.123(9) 4 2 ?
Ag2C Ag1C Ag2C 67.337(13) . 4 ?
Ag2C Ag1C Ag2M 110.196(15) . . ?
Ag2C Ag1C Ag2M 108.878(16) 4 . ?
Ag2M Ag1C Ag1C 58.030(6) . 2 ?
S0 Ag1C Ag1C 50.206(18) . 2 ?
S0 Ag1C Ag2C 55.10(3) . 4 ?
S0 Ag1C Ag2C 55.76(4) . . ?
S0 Ag1C Ag2M 66.67(5) . . ?
S2T Ag1C Ag1C 102.27(4) . 2 ?
S2T Ag1C Ag2C 73.48(3) . . ?
S2T Ag1C Ag2C 107.83(3) . 4 ?
S2T Ag1C Ag2M 141.25(4) . . ?
S2T Ag1C S0 129.24(5) . . ?
S2T Ag1C S3T 124.23(5) . . ?
S3T Ag1C Ag1C 107.63(4) . 2 ?
S3T Ag1C Ag2C 110.31(3) . 4 ?
S3T Ag1C Ag2C 160.10(4) . . ?
S3T Ag1C Ag2M 50.77(4) . . ?
S3T Ag1C S0 105.90(5) . . ?
Ag2C Ag1M Ag2C 62.584(11) . 2 ?
Ag2C Ag1M Ag2C 62.586(11) . 4 ?
Ag2C Ag1M Ag2C 62.586(11) 3 2 ?
Ag2C Ag1M Ag2C 94.54(2) . 3 ?
Ag2C Ag1M Ag2C 62.586(11) 3 4 ?
Ag2C Ag1M Ag2C 94.54(2) 2 4 ?
S1T Ag1M Ag2C 111.60(3) 2 3 ?
S1T Ag1M Ag2C 67.70(3) . 4 ?
S1T Ag1M Ag2C 50.35(3) 3 3 ?
S1T Ag1M Ag2C 50.36(3) . . ?
S1T Ag1M Ag2C 50.35(3) 4 4 ?
S1T Ag1M Ag2C 111.59(3) . 2 ?
S1T Ag1M Ag2C 128.81(3) . 3 ?
S1T Ag1M Ag2C 111.60(3) 4 . ?
S1T Ag1M Ag2C 111.60(3) 3 4 ?
S1T Ag1M Ag2C 128.81(3) 4 2 ?
S1T Ag1M Ag2C 128.81(3) 2 4 ?
S1T Ag1M Ag2C 50.35(3) 2 2 ?
S1T Ag1M Ag2C 67.70(3) 4 3 ?
S1T Ag1M Ag2C 67.70(3) 2 . ?
S1T Ag1M Ag2C 67.70(3) 3 2 ?
S1T Ag1M Ag2C 128.80(3) 3 . ?
S1T Ag1M S1T 89.997(1) . 4 ?
S1T Ag1M S1T 179.04(5) 4 2 ?
S1T Ag1M S1T 89.996(1) 3 2 ?
S1T Ag1M S1T 89.996(1) 3 4 ?
S1T Ag1M S1T 89.995(1) . 2 ?
S1T Ag1M S1T 179.04(5) . 3 ?
S1T Ag1P S2T 110.93(4) . . ?
S3 Ag1P S1T 108.99(4) 4 . ?
S3 Ag1P S2T 88.77(4) 4 . ?
P5 Ag1P S1T 107.34(4) . . ?
P5 Ag1P S2T 113.42(5) . . ?
P5 Ag1P S3 126.05(5) . 4 ?
Ag1C Ag2C Ag1C 69.793(14) . 2 ?
Ag1C Ag2C Ag1M 111.751(14) 2 . ?
Ag1C Ag2C Ag1M 113.159(15) . . ?
Ag1C Ag2C Ag2C 55.592(11) 2 2 ?
Ag1C Ag2C Ag2C 104.619(9) 2 4 ?
Ag1C Ag2C Ag2C 57.073(11) . 4 ?
Ag1C Ag2C Ag2C 104.880(9) . 2 ?
Ag1M Ag2C Ag2C 58.708(6) . 4 ?
Ag1M Ag2C Ag2C 58.709(6) . 2 ?
Ag2C Ag2C Ag2C 90.0 2 4 ?
S0 Ag2C Ag1C 56.54(3) . . ?
S0 Ag2C Ag1C 55.86(3) . 2 ?
S0 Ag2C Ag1M 70.46(5) . . ?
S0 Ag2C Ag2C 51.255(19) . 2 ?
S0 Ag2C Ag2C 51.254(19) . 4 ?
S1T Ag2C Ag1C 163.21(3) . 2 ?
S1T Ag2C Ag1C 112.17(3) . . ?
S1T Ag2C Ag1M 51.64(3) . . ?
S1T Ag2C Ag2C 109.05(3) . 2 ?
S1T Ag2C Ag2C 66.03(3) . 4 ?
S1T Ag2C S0 110.31(5) . . ?
S3 Ag2C Ag1C 103.84(3) . . ?
S3 Ag2C Ag1C 69.48(3) . 2 ?
S3 Ag2C Ag1M 141.00(3) . . ?
S3 Ag2C Ag2C 100.91(3) . 2 ?
S3 Ag2C Ag2C 160.24(3) . 4 ?
S3 Ag2C S0 125.25(4) . . ?
S3 Ag2C S1T 124.03(4) . . ?
Ag1C Ag2M Ag1C 63.939(12) 2 3 ?
Ag1C Ag2M Ag1C 96.97(2) . 3 ?
Ag1C Ag2M Ag1C 63.940(12) 4 3 ?
Ag1C Ag2M Ag1C 63.942(12) . 4 ?
Ag1C Ag2M Ag1C 96.97(2) 2 4 ?
Ag1C Ag2M Ag1C 63.941(12) . 2 ?
S3T Ag2M Ag1C 49.67(3) . . ?
S3T Ag2M Ag1C 66.99(3) . 4 ?
S3T Ag2M Ag1C 49.67(3) 3 3 ?
S3T Ag2M Ag1C 129.53(3) 3 . ?
S3T Ag2M Ag1C 49.67(3) 4 4 ?
S3T Ag2M Ag1C 112.35(4) 4 . ?
S3T Ag2M Ag1C 112.35(4) 2 3 ?
S3T Ag2M Ag1C 66.99(3) 2 . ?
S3T Ag2M Ag1C 112.35(4) 3 4 ?
S3T Ag2M Ag1C 112.35(4) . 2 ?
S3T Ag2M Ag1C 129.53(3) . 3 ?
S3T Ag2M Ag1C 66.99(3) 3 2 ?
S3T Ag2M Ag1C 66.99(3) 4 3 ?
S3T Ag2M Ag1C 129.53(3) 4 2 ?
S3T Ag2M Ag1C 49.67(3) 2 2 ?
S3T Ag2M Ag1C 129.53(3) 2 4 ?
S3T Ag2M S3T 89.996(1) . 4 ?
S3T Ag2M S3T 179.08(6) 4 2 ?
S3T Ag2M S3T 89.996(1) 3 2 ?
S3T Ag2M S3T 89.996(1) 3 4 ?
S3T Ag2M S3T 179.08(6) . 3 ?
S3T Ag2M S3T 89.996(1) . 2 ?
S2T Ag2P S3 87.16(4) . . ?
S2T Ag2P S3T 108.91(5) . 2 ?
S3T Ag2P S3 105.38(4) 2 . ?
P1 Ag2P S2T 126.45(6) . . ?
P1 Ag2P S3 116.24(6) . . ?
P1 Ag2P S3T 109.53(5) . 2 ?
Ag1C S0 Ag1C 129.68(9) 2 4 ?
Ag1C S0 Ag1C 79.59(4) 3 4 ?
Ag1C S0 Ag1C 79.59(4) . 4 ?
Ag1C S0 Ag1C 129.68(9) . 3 ?
Ag1C S0 Ag1C 79.59(4) 2 3 ?
Ag1C S0 Ag1C 79.59(4) . 2 ?
Ag2C S0 Ag1C 138.881(13) 3 2 ?
Ag2C S0 Ag1C 140.816(13) 3 . ?
Ag2C S0 Ag1C 138.881(13) 2 . ?
Ag2C S0 Ag1C 67.699(11) 2 2 ?
Ag2C S0 Ag1C 67.699(11) 4 4 ?
Ag2C S0 Ag1C 67.700(11) . . ?
Ag2C S0 Ag1C 140.816(13) 4 2 ?
Ag2C S0 Ag1C 140.812(13) . 3 ?
Ag2C S0 Ag1C 138.884(13) . 4 ?
Ag2C S0 Ag1C 138.883(13) 4 3 ?
Ag2C S0 Ag1C 69.039(11) 3 4 ?
Ag2C S0 Ag1C 67.699(11) 3 3 ?
Ag2C S0 Ag1C 69.041(11) . 2 ?
Ag2C S0 Ag1C 69.039(11) 2 3 ?
Ag2C S0 Ag1C 69.042(11) 4 . ?
Ag2C S0 Ag1C 140.813(13) 2 4 ?
Ag2C S0 Ag2C 124.54(9) 4 2 ?
Ag2C S0 Ag2C 77.49(4) . 2 ?
Ag2C S0 Ag2C 77.49(4) 4 3 ?
Ag2C S0 Ag2C 77.49(4) 3 2 ?
Ag2C S0 Ag2C 77.50(4) . 4 ?
Ag2C S0 Ag2C 124.54(9) . 3 ?
Ag1M S1T Ag1P 134.11(5) . . ?
Ag2C S1T Ag1M 78.00(4) . . ?
Ag2C S1T Ag1P 81.09(4) . . ?
C46S S1T Ag1M 111.12(17) . . ?
C46S S1T Ag1P 113.66(17) . . ?
C46S S1T Ag2C 105.37(15) . . ?
Ag1C S2T Ag1P 89.34(5) . . ?
Ag1C S2T Ag2P 84.26(4) . . ?
Ag2P S2T Ag1P 145.72(6) . . ?
C16S S2T Ag1C 100.2(2) . . ?
C16S S2T Ag1P 98.1(2) . . ?
C16S S2T Ag2P 116.2(2) . . ?
Ag1P S3 Ag2P 147.31(5) 2 . ?
Ag2C S3 Ag1P 84.37(4) . 2 ?
Ag2C S3 Ag2P 93.65(4) . . ?
C27S S3 Ag1P 112.4(3) . 2 ?
C27S S3 Ag2C 98.7(2) . . ?
C27S S3 Ag2P 100.2(3) . . ?
Ag1C S3T Ag2M 79.56(4) . . ?
Ag1C S3T Ag2P 84.22(4) . 4 ?
Ag2M S3T Ag2P 135.48(5) . 4 ?
C1S S3T Ag1C 103.46(17) . . ?
C1S S3T Ag2M 111.4(2) . . ?
C1S S3T Ag2P 112.6(2) . 4 ?
C19P P1 Ag2P 115.1(3) . . ?
C19P P1 C25P 104.8(4) . . ?
C19P P1 C31P 103.6(3) . . ?
C25P P1 Ag2P 113.3(3) . . ?
C25P P1 C31P 103.6(3) . . ?
C31P P1 Ag2P 115.09(18) . . ?
C1P P5 Ag1P 117.23(17) . . ?
C7P P5 Ag1P 116.50(17) . . ?
C7P P5 C1P 103.6(2) . . ?
C7P P5 C13P 103.1(2) . . ?
C13P P5 Ag1P 111.62(17) . . ?
C13P P5 C1P 103.0(3) . . ?
C2P C1P P5 122.9(4) . . ?
C2P C1P C6P 119.4(5) . . ?
C6P C1P P5 117.7(5) . . ?
S3T C1S H1SA 108.6 . . ?
S3T C1S H1SB 108.6 . . ?
H1SA C1S H1SB 107.5 . . ?
C2S C1S S3T 114.8(4) . . ?
C2S C1S H1SA 108.6 . . ?
C2S C1S H1SB 108.6 . . ?
C1P C2P H2P 119.7 . . ?
C1P C2P C3P 120.5(6) . . ?
C3P C2P H2P 119.7 . . ?
C2P C3P H3P 120.0 . . ?
C4P C3P C2P 120.0(6) . . ?
C4P C3P H3P 120.0 . . ?
C3P C4P H4P 120.0 . . ?
C3P C4P C5P 120.0(6) . . ?
C5P C4P H4P 120.0 . . ?
C4P C5P H5P 119.7 . . ?
C6P C5P C4P 120.6(7) . . ?
C6P C5P H5P 119.7 . . ?
C1P C6P H6P 120.3 . . ?
C5P C6P C1P 119.4(6) . . ?
C5P C6P H6P 120.3 . . ?
C8P C7P P5 122.8(4) . . ?
C12P C7P P5 117.9(4) . . ?
C12P C7P C8P 119.3(5) . . ?
C2S C7S H7S 120.0 . . ?
C2S C7S C6S 120.0 . . ?
C6S C7S H7S 120.0 . . ?
C7S C2S C1S 129.6(5) . . ?
C7S C2S C3S 120.0 . . ?
C3S C2S C1S 110.3(5) . . ?
C7T C2S C1S 116.7(9) . . ?
C3T C2S C1S 127.3(8) . . ?
C3T C2S C7T 115.4(11) . . ?
C2S C3S H3S 120.0 . . ?
C4S C3S C2S 120.0 . . ?
C4S C3S H3S 120.0 . . ?
C3S C4S H4S 120.0 . . ?
C3S C4S C5S 120.0 . . ?
C5S C4S H4S 120.0 . . ?
C4S C5S C6S 120.0 . . ?
C4S C5S C8S 122.8(10) . . ?
C6S C5S C8S 117.2(10) . . ?
C7S C6S H6S 120.0 . . ?
C5S C6S C7S 120.0 . . ?
C5S C6S H6S 120.0 . . ?
C7P C8P H8P 119.9 . . ?
C9P C8P C7P 120.2(5) . . ?
C9P C8P H8P 119.9 . . ?
C8P C9P H9P 119.8 . . ?
C10P C9P C8P 120.4(6) . . ?
C10P C9P H9P 119.8 . . ?
C9P C10P H10P 120.0 . . ?
C9P C10P C11P 120.1(5) . . ?
C11P C10P H10P 120.0 . . ?
C10P C11P H11P 119.9 . . ?
C10P C11P C12P 120.3(5) . . ?
C12P C11P H11P 119.9 . . ?
C7P C12P H12P 120.2 . . ?
C11P C12P C7P 119.7(5) . . ?
C11P C12P H12P 120.2 . . ?
C14P C13P P5 123.5(4) . . ?
C14P C13P C18P 118.5(5) . . ?
C18P C13P P5 117.9(4) . . ?
C13P C14P H14P 119.5 . . ?
C15P C14P C13P 121.1(5) . . ?
C15P C14P H14P 119.5 . . ?
C14P C15P H15P 120.0 . . ?
C16P C15P C14P 120.0(6) . . ?
C16P C15P H15P 120.0 . . ?
C15P C16P H16P 120.3 . . ?
C15P C16P C17P 119.4(6) . . ?
C17P C16P H16P 120.3 . . ?
S2T C16S H16A 109.0 . . ?
S2T C16S H16B 109.0 . . ?
H16A C16S H16B 107.8 . . ?
C17S C16S S2T 112.9(5) . . ?
C17S C16S H16A 109.0 . . ?
C17S C16S H16B 109.0 . . ?
C16P C17P H17P 119.9 . . ?
C18P C17P C16P 120.3(6) . . ?
C18P C17P H17P 119.9 . . ?
C13P C18P H18P 119.6 . . ?
C17P C18P C13P 120.7(6) . . ?
C17P C18P H18P 119.6 . . ?
C19S C18S H18S 120.0 . . ?
C19S C18S C17S 120.0 . . ?
C17S C18S H18S 120.0 . . ?
C18S C19S H19S 120.0 . . ?
C20S C19S C18S 120.0 . . ?
C20S C19S H19S 120.0 . . ?
C19S C20S C23S 119.8(4) . . ?
C21S C20S C19S 120.0 . . ?
C21S C20S C23S 120.2(4) . . ?
C20S C21S H21S 120.0 . . ?
C22S C21S C20S 120.0 . . ?
C22S C21S H21S 120.0 . . ?
C21S C22S H22S 120.0 . . ?
C21S C22S C17S 120.0 . . ?
C17S C22S H22S 120.0 . . ?
C18S C17S C16S 120.1(3) . . ?
C22S C17S C16S 119.8(3) . . ?
C22S C17S C18S 120.0 . . ?
C20P C19P P1 122.3(8) . . ?
C20P C19P C24P 120.4(8) . . ?
C24P C19P P1 117.2(7) . . ?
C19P C20P H20P 121.3 . . ?
C19P C20P C21P 117.3(12) . . ?
C21P C20P H20P 121.3 . . ?
C20P C21P H21P 120.0 . . ?
C22P C21P C20P 120.0(12) . . ?
C22P C21P H21P 120.0 . . ?
C21P C22P H22P 119.2 . . ?
C23P C22P C21P 121.7(11) . . ?
C23P C22P H22P 119.2 . . ?
C22P C23P H23P 119.4 . . ?
C22P C23P C24P 121.3(11) . . ?
C24P C23P H23P 119.4 . . ?
C24S C23S C20S 107.7(9) . . ?
C24S C23S C25S 108.7(8) . . ?
C24S C23S C26S 109.9(8) . . ?
C25S C23S C20S 112.5(6) . . ?
C26S C23S C20S 110.0(6) . . ?
C26S C23S C25S 108.1(10) . . ?
C19P C24P H24P 120.3 . . ?
C23P C24P C19P 119.3(10) . . ?
C23P C24P H24P 120.3 . . ?
C23S C24S H24A 109.5 . . ?
C23S C24S H24B 109.5 . . ?
C23S C24S H24C 109.5 . . ?
H24A C24S H24B 109.5 . . ?
H24A C24S H24C 109.5 . . ?
H24B C24S H24C 109.5 . . ?
C23S C25S H25A 109.5 . . ?
C23S C25S H25B 109.5 . . ?
C23S C25S H25C 109.5 . . ?
H25A C25S H25B 109.5 . . ?
H25A C25S H25C 109.5 . . ?
H25B C25S H25C 109.5 . . ?
C23S C26S H26A 109.5 . . ?
C23S C26S H26B 109.5 . . ?
C23S C26S H26C 109.5 . . ?
H26A C26S H26B 109.5 . . ?
H26A C26S H26C 109.5 . . ?
H26B C26S H26C 109.5 . . ?
S3 C27S H27A 107.4 . . ?
S3 C27S H27B 107.4 . . ?
S3 C27S H27C 110.0 . . ?
S3 C27S H27D 110.0 . . ?
H27A C27S H27B 107.0 . . ?
H27C C27S H27D 108.4 . . ?
C28S C27S S3 119.5(7) . . ?
C28S C27S H27A 107.4 . . ?
C28S C27S H27B 107.4 . . ?
C43S C27S S3 108.6(11) . . ?
C43S C27S H27C 110.0 . . ?
C43S C27S H27D 110.0 . . ?
C29P C28P H28P 120.0 . . ?
C29P C28P C27P 120.0 . . ?
C27P C28P H28P 120.0 . . ?
C28P C29P H29P 120.0 . . ?
C28P C29P C30P 120.0 . . ?
C30P C29P H29P 120.0 . . ?
C29P C30P H30P 120.0 . . ?
C29P C30P C25P 120.0 . . ?
C25P C30P H30P 120.0 . . ?
C30P C25P P1 117.6(4) . . ?
C26P C25P P1 122.4(4) . . ?
C26P C25P C30P 120.0 . . ?
C25P C26P H26P 120.0 . . ?
C25P C26P C27P 120.0 . . ?
C27P C26P H26P 120.0 . . ?
C28P C27P H27P 120.0 . . ?
C26P C27P C28P 120.0 . . ?
C26P C27P H27P 120.0 . . ?
C36P C31P P1 117.7(3) . . ?
C36P C31P C32P 120.0 . . ?
C32P C31P P1 122.3(3) . . ?
C31P C36P H36P 120.0 . . ?
C35P C36P C31P 120.0 . . ?
C35P C36P H36P 120.0 . . ?
C36P C35P H35P 120.0 . . ?
C36P C35P C34P 120.0 . . ?
C34P C35P H35P 120.0 . . ?
C35P C34P H34P 120.0 . . ?
C33P C34P C35P 120.0 . . ?
C33P C34P H34P 120.0 . . ?
C34P C33P H33P 120.0 . . ?
C34P C33P C32P 120.0 . . ?
C32P C33P H33P 120.0 . . ?
C31P C32P H32P 120.0 . . ?
C33P C32P C31P 120.0 . . ?
C33P C32P H32P 120.0 . . ?
H36A C36S H36B 109.5 . . ?
H36A C36S H36C 109.5 . . ?
H36B C36S H36C 109.5 . . ?
H36D C36S H36E 109.5 . . ?
H36D C36S H36F 109.5 . . ?
H36E C36S H36F 109.5 . . ?
C34S C36S H36A 109.5 . . ?
C34S C36S H36B 109.5 . . ?
C34S C36S H36C 109.5 . . ?
C39S C36S H36D 109.5 . . ?
C39S C36S H36E 109.4 . . ?
C39S C36S H36F 109.5 . . ?
H37A C37S H37B 109.5 . . ?
H37A C37S H37C 109.5 . . ?
H37B C37S H37C 109.5 . . ?
H37D C37S H37E 109.5 . . ?
H37D C37S H37F 109.5 . . ?
H37E C37S H37F 109.5 . . ?
C34S C37S H37A 109.5 . . ?
C34S C37S H37B 109.5 . . ?
C34S C37S H37C 109.5 . . ?
C39S C37S H37D 109.5 . . ?
C39S C37S H37E 109.5 . . ?
C39S C37S H37F 109.5 . . ?
S1T C46S H46A 108.7 . . ?
S1T C46S H46B 108.7 . . ?
H46A C46S H46B 107.6 . . ?
C47S C46S S1T 114.3(3) . . ?
C47S C46S H46A 108.7 . . ?
C47S C46S H46B 108.7 . . ?
C49S C50S C51S 120.0 . . ?
C49S C50S C53S 118.5(3) . . ?
C51S C50S C53S 121.5(3) . . ?
C50S C49S H49S 120.0 . . ?
C50S C49S C48S 120.0 . . ?
C48S C49S H49S 120.0 . . ?
C49S C48S H48S 120.0 . . ?
C49S C48S C47S 120.0 . . ?
C47S C48S H48S 120.0 . . ?
C48S C47S C46S 122.1(3) . . ?
C52S C47S C46S 117.9(3) . . ?
C52S C47S C48S 120.0 . . ?
C47S C52S H52S 120.0 . . ?
C47S C52S C51S 120.0 . . ?
C51S C52S H52S 120.0 . . ?
C50S C51S H51S 120.0 . . ?
C52S C51S C50S 120.0 . . ?
C52S C51S H51S 120.0 . . ?
C54S C53S C50S 112.4(4) . . ?
C54S C53S C55S 106.8(5) . . ?
C54S C53S C56S 109.2(5) . . ?
C55S C53S C50S 109.5(4) . . ?
C55S C53S C56S 109.1(5) . . ?
C56S C53S C50S 109.8(4) . . ?
C53S C54S H54A 109.5 . . ?
C53S C54S H54B 109.5 . . ?
C53S C54S H54C 109.5 . . ?
H54A C54S H54B 109.5 . . ?
H54A C54S H54C 109.5 . . ?
H54B C54S H54C 109.5 . . ?
C53S C55S H55A 109.5 . . ?
C53S C55S H55B 109.5 . . ?
C53S C55S H55C 109.5 . . ?
H55A C55S H55B 109.5 . . ?
H55A C55S H55C 109.5 . . ?
H55B C55S H55C 109.5 . . ?
C53S C56S H56A 109.5 . . ?
C53S C56S H56B 109.5 . . ?
C53S C56S H56C 109.5 . . ?
H56A C56S H56B 109.5 . . ?
H56A C56S H56C 109.5 . . ?
H56B C56S H56C 109.5 . . ?
C9S C8S C5S 107.0(10) . . ?
C10S C8S C5S 107.3(15) . . ?
C10S C8S C9S 106.4(13) . . ?
C15S C8S C5S 113.5(13) . . ?
C15S C8S C9S 108.3(14) . . ?
C15S C8S C10S 113.9(15) . . ?
C8S C9S H9SA 109.5 . . ?
C8S C9S H9SB 109.5 . . ?
C8S C9S H9SC 109.5 . . ?
H9SA C9S H9SB 109.5 . . ?
H9SA C9S H9SC 109.5 . . ?
H9SB C9S H9SC 109.5 . . ?
C8S C10S H10A 109.5 . . ?
C8S C10S H10B 109.5 . . ?
C8S C10S H10C 109.5 . . ?
H10A C10S H10B 109.5 . . ?
H10A C10S H10C 109.5 . . ?
H10B C10S H10C 109.5 . . ?
C8S C15S H15A 109.5 . . ?
C8S C15S H15B 109.5 . . ?
C8S C15S H15C 109.5 . . ?
H15A C15S H15B 109.5 . . ?
H15A C15S H15C 109.5 . . ?
H15B C15S H15C 109.5 . . ?
C32S C33S H33S 120.0 . . ?
C32S C33S C28S 120.0 . . ?
C28S C33S H33S 120.0 . . ?
C33S C32S H32S 120.0 . . ?
C33S C32S C31S 120.0 . . ?
C31S C32S H32S 120.0 . . ?
C32S C31S C34S 119.5(9) . . ?
C30S C31S C32S 120.0 . . ?
C30S C31S C34S 120.4(9) . . ?
C31S C30S H30S 120.0 . . ?
C31S C30S C29S 120.0 . . ?
C29S C30S H30S 120.0 . . ?
C30S C29S H29S 120.0 . . ?
C30S C29S C28S 120.0 . . ?
C28S C29S H29S 120.0 . . ?
C33S C28S C27S 128.4(6) . . ?
C29S C28S C27S 111.5(6) . . ?
C29S C28S C33S 120.0 . . ?
C36S C34S C37S 96.6(13) . . ?
C36S C34S C35S 117.9(14) . . ?
C31S C34S C36S 107.5(11) . . ?
C31S C34S C37S 106.0(12) . . ?
C31S C34S C35S 112.9(15) . . ?
C35S C34S C37S 114.2(13) . . ?
C34S C35S H35A 109.5 . . ?
C34S C35S H35B 109.5 . . ?
C34S C35S H35C 109.5 . . ?
H35A C35S H35B 109.5 . . ?
H35A C35S H35C 109.5 . . ?
H35B C35S H35C 109.5 . . ?
H11A C11S H11B 109.5 . . ?
H11A C11S H11C 109.5 . . ?
H11B C11S H11C 109.5 . . ?
C12S C11S H11A 109.5 . . ?
C12S C11S H11B 109.5 . . ?
C12S C11S H11C 109.5 . . ?
C11S C12S C13S 106.5(16) . . ?
C14S C12S C11S 109.8(12) . . ?
C14S C12S C13S 109.5(13) . . ?
C5T C12S C11S 113.3(15) . . ?
C5T C12S C13S 105.8(10) . . ?
C5T C12S C14S 111.7(10) . . ?
C12S C13S H13A 109.5 . . ?
C12S C13S H13B 109.5 . . ?
C12S C13S H13C 109.5 . . ?
H13A C13S H13B 109.5 . . ?
H13A C13S H13C 109.5 . . ?
H13B C13S H13C 109.5 . . ?
C12S C14S H14A 109.5 . . ?
C12S C14S H14B 109.5 . . ?
C12S C14S H14C 109.5 . . ?
H14A C14S H14B 109.5 . . ?
H14A C14S H14C 109.5 . . ?
H14B C14S H14C 109.5 . . ?
H38A C38S H38B 109.5 . . ?
H38A C38S H38C 109.5 . . ?
H38B C38S H38C 109.5 . . ?
C39S C38S H38A 109.5 . . ?
C39S C38S H38B 109.5 . . ?
C39S C38S H38C 109.5 . . ?
C37S C39S C36S 95.1(10) . . ?
C37S C39S C38S 121.3(13) . . ?
C38S C39S C36S 119.2(12) . . ?
C40S C39S C36S 105.5(11) . . ?
C40S C39S C37S 101.6(11) . . ?
C40S C39S C38S 111.4(12) . . ?
C41S C40S C39S 120.7(12) . . ?
C41S C40S C45S 117.8(11) . . ?
C45S C40S C39S 121.2(11) . . ?
C40S C41S H41S 119.9 . . ?
C42S C41S C40S 120.3(12) . . ?
C42S C41S H41S 119.9 . . ?
C41S C42S H42S 118.5 . . ?
C43S C42S C41S 123.0(11) . . ?
C43S C42S H42S 118.5 . . ?
C42S C43S C27S 132.8(13) . . ?
C44S C43S C27S 111.0(11) . . ?
C44S C43S C42S 115.1(10) . . ?
C43S C44S H44S 118.1 . . ?
C45S C44S C43S 123.7(11) . . ?
C45S C44S H44S 118.1 . . ?
C40S C45S H45S 120.0 . . ?
C44S C45S C40S 120.0(10) . . ?
C44S C45S H45S 120.0 . . ?
C6T C5T C12S 121.2(11) . . ?
C6T C5T C4T 116.5(9) . . ?
C4T C5T C12S 122.3(11) . . ?
C5T C6T H6T 120.3 . . ?
C5T C6T C7T 119.5(13) . . ?
C7T C6T H6T 120.3 . . ?
C2S C7T C6T 123.1(16) . . ?
C2S C7T H7T 118.4 . . ?
C6T C7T H7T 118.4 . . ?
C2S C3T H3T 117.8 . . ?
C4T C3T C2S 124.4(13) . . ?
C4T C3T H3T 117.8 . . ?
C5T C4T H4T 119.5 . . ?
C3T C4T C5T 120.9(12) . . ?
C3T C4T H4T 119.5 . . ?

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
Ag1C S2T C16S C17S -147.7(3) . . . . ?
Ag1C S3T C1S C2S 170.4(4) . . . . ?
Ag1M S1T C46S C47S -85.4(3) . . . . ?
Ag1P S1T C46S C47S 104.9(3) . . . . ?
Ag1P S2T C16S C17S 121.5(4) . . . . ?
Ag1P S3 C27S C28S 62.9(8) 2 . . . ?
Ag1P S3 C27S C43S 63.0(9) 2 . . . ?
Ag1P P5 C1P C2P -140.2(4) . . . . ?
Ag1P P5 C1P C6P 39.8(6) . . . . ?
Ag1P P5 C7P C8P -155.6(4) . . . . ?
Ag1P P5 C7P C12P 25.0(5) . . . . ?
Ag1P P5 C13P C14P -120.8(4) . . . . ?
Ag1P P5 C13P C18P 56.7(5) . . . . ?
Ag2C S1T C46S C47S -168.2(3) . . . . ?
Ag2C S3 C27S C28S 150.4(7) . . . . ?
Ag2C S3 C27S C43S 150.4(8) . . . . ?
Ag2M S3T C1S C2S 86.6(4) . . . . ?
Ag2P S2T C16S C17S -59.1(4) . . . . ?
Ag2P S3 C27S C28S -114.3(7) . . . . ?
Ag2P S3 C27S C43S -114.3(8) . . . . ?
Ag2P S3T C1S C2S -100.3(4) 4 . . . ?
Ag2P P1 C19P C20P 145.8(6) . . . . ?
Ag2P P1 C19P C24P -33.3(7) . . . . ?
Ag2P P1 C25P C30P -56.2(5) . . . . ?
Ag2P P1 C25P C26P 123.4(4) . . . . ?
Ag2P P1 C31P C36P -24.7(3) . . . . ?
Ag2P P1 C31P C32P 155.1(2) . . . . ?
S1T C46S C47S C48S 30.4(4) . . . . ?
S1T C46S C47S C52S -149.2(2) . . . . ?
S2T C16S C17S C18S 97.3(4) . . . . ?
S2T C16S C17S C22S -85.6(5) . . . . ?
S3 C27S C28S C33S 83.2(11) . . . . ?
S3 C27S C28S C29S -100.4(7) . . . . ?
S3 C27S C43S C42S -114(2) . . . . ?
S3 C27S C43S C44S 78.5(18) . . . . ?
S3T C1S C2S C7S -29.9(9) . . . . ?
S3T C1S C2S C3S 145.8(6) . . . . ?
S3T C1S C2S C7T -34.4(12) . . . . ?
S3T C1S C2S C3T 154.8(14) . . . . ?
P1 C19P C20P C21P -178.9(7) . . . . ?
P1 C19P C24P C23P 178.7(6) . . . . ?
P1 C25P C26P C27P -179.6(7) . . . . ?
P1 C31P C36P C35P 179.8(4) . . . . ?
P1 C31P C32P C33P -179.8(4) . . . . ?
P5 C1P C2P C3P 178.1(4) . . . . ?
P5 C1P C6P C5P -179.2(6) . . . . ?
P5 C7P C8P C9P -178.0(5) . . . . ?
P5 C7P C12P C11P 179.8(4) . . . . ?
P5 C13P C14P C15P 177.0(4) . . . . ?
P5 C13P C18P C17P -177.7(5) . . . . ?
C1P P5 C7P C8P -25.3(5) . . . . ?
C1P P5 C7P C12P 155.3(4) . . . . ?
C1P P5 C13P C14P 112.6(5) . . . . ?
C1P P5 C13P C18P -69.9(5) . . . . ?
C1P C2P C3P C4P 2.1(9) . . . . ?
C1S C2S C3S C4S -176.2(5) . . . . ?
C1S C2S C7T C6T -170.2(14) . . . . ?
C1S C2S C3T C4T 171.4(15) . . . . ?
C2P C1P C6P C5P 0.8(10) . . . . ?
C2P C3P C4P C5P -1.1(11) . . . . ?
C3P C4P C5P C6P 0.0(13) . . . . ?
C4P C5P C6P C1P 0.2(12) . . . . ?
C6P C1P C2P C3P -1.9(9) . . . . ?
C7P P5 C1P C2P 90.0(5) . . . . ?
C7P P5 C1P C6P -90.0(5) . . . . ?
C7P P5 C13P C14P 5.1(5) . . . . ?
C7P P5 C13P C18P -177.5(4) . . . . ?
C7P C8P C9P C10P -2.0(10) . . . . ?
C7S C2S C3S C4S 0.0 . . . . ?
C2S C7S C6S C5S 0.0 . . . . ?
C2S C3S C4S C5S 0.0 . . . . ?
C2S C3T C4T C5T 0(3) . . . . ?
C3S C4S C5S C6S 0.0 . . . . ?
C3S C4S C5S C8S 179.0(10) . . . . ?
C4S C5S C6S C7S 0.0 . . . . ?
C4S C5S C8S C9S -56.2(13) . . . . ?
C4S C5S C8S C10S 57.7(15) . . . . ?
C4S C5S C8S C15S -175.6(13) . . . . ?
C6S C7S C2S C1S 175.4(6) . . . . ?
C6S C7S C2S C3S 0.0 . . . . ?
C6S C5S C8S C9S 122.9(12) . . . . ?
C6S C5S C8S C10S -123.3(14) . . . . ?
C6S C5S C8S C15S 3.4(17) . . . . ?
C8P C7P C12P C11P 0.4(8) . . . . ?
C8P C9P C10P C11P 0.8(10) . . . . ?
C9P C10P C11P C12P 1.0(10) . . . . ?
C10P C11P C12P C7P -1.5(8) . . . . ?
C12P C7P C8P C9P 1.4(9) . . . . ?
C13P P5 C1P C2P -17.2(5) . . . . ?
C13P P5 C1P C6P 162.8(5) . . . . ?
C13P P5 C7P C8P 81.8(5) . . . . ?
C13P P5 C7P C12P -97.6(4) . . . . ?
C13P C14P C15P C16P 0.3(9) . . . . ?
C14P C13P C18P C17P -0.1(9) . . . . ?
C14P C15P C16P C17P 0.4(9) . . . . ?
C15P C16P C17P C18P -0.9(10) . . . . ?
C16P C17P C18P C13P 0.8(10) . . . . ?
C18P C13P C14P C15P -0.4(8) . . . . ?
C18S C19S C20S C21S 0.0 . . . . ?
C18S C19S C20S C23S -178.0(7) . . . . ?
C19S C18S C17S C16S 177.1(5) . . . . ?
C19S C18S C17S C22S 0.0 . . . . ?
C19S C20S C21S C22S 0.0 . . . . ?
C19S C20S C23S C24S 82.4(7) . . . . ?
C19S C20S C23S C25S -157.9(7) . . . . ?
C19S C20S C23S C26S -37.3(11) . . . . ?
C20S C21S C22S C17S 0.0 . . . . ?
C21S C20S C23S C24S -95.6(7) . . . . ?
C21S C20S C23S C25S 24.1(11) . . . . ?
C21S C20S C23S C26S 144.7(8) . . . . ?
C21S C22S C17S C16S -177.1(5) . . . . ?
C21S C22S C17S C18S 0.0 . . . . ?
C17S C18S C19S C20S 0.0 . . . . ?
C19P P1 C25P C30P 70.1(5) . . . . ?
C19P P1 C25P C26P -110.3(5) . . . . ?
C19P P1 C31P C36P -151.2(4) . . . . ?
C19P P1 C31P C32P 28.6(5) . . . . ?
C19P C20P C21P C22P -0.4(16) . . . . ?
C20P C19P C24P C23P -0.4(12) . . . . ?
C20P C21P C22P C23P 0.8(18) . . . . ?
C21P C22P C23P C24P -1.0(17) . . . . ?
C22P C23P C24P C19P 0.8(13) . . . . ?
C23S C20S C21S C22S 178.0(7) . . . . ?
C24P C19P C20P C21P 0.2(13) . . . . ?
C27S C43S C44S C45S 167.0(13) . . . . ?
C28P C29P C30P C25P 0.0 . . . . ?
C29P C28P C27P C26P 0.0 . . . . ?
C29P C30P C25P P1 179.6(6) . . . . ?
C29P C30P C25P C26P 0.0 . . . . ?
C30P C25P C26P C27P 0.0 . . . . ?
C25P P1 C19P C20P 20.7(8) . . . . ?
C25P P1 C19P C24P -158.4(6) . . . . ?
C25P P1 C31P C36P 99.6(4) . . . . ?
C25P P1 C31P C32P -80.6(4) . . . . ?
C25P C26P C27P C28P 0.0 . . . . ?
C27P C28P C29P C30P 0.0 . . . . ?
C31P P1 C19P C20P -87.7(8) . . . . ?
C31P P1 C19P C24P 93.3(6) . . . . ?
C31P P1 C25P C30P 178.4(4) . . . . ?
C31P P1 C25P C26P -2.1(5) . . . . ?
C31P C36P C35P C34P 0.0 . . . . ?
C36P C31P C32P C33P 0.0 . . . . ?
C36P C35P C34P C33P 0.0 . . . . ?
C35P C34P C33P C32P 0.0 . . . . ?
C34P C33P C32P C31P 0.0 . . . . ?
C32P C31P C36P C35P 0.0 . . . . ?
C36S C39S C40S C41S -53.0(17) . . . . ?
C36S C39S C40S C45S 120.3(13) . . . . ?
C37S C39S C40S C41S 45.7(17) . . . . ?
C37S C39S C40S C45S -141.0(12) . . . . ?
C46S C47S C52S C51S 179.6(3) . . . . ?
C50S C49S C48S C47S 0.0 . . . . ?
C49S C50S C51S C52S 0.0 . . . . ?
C49S C50S C53S C54S -174.7(4) . . . . ?
C49S C50S C53S C55S 66.8(5) . . . . ?
C49S C50S C53S C56S -52.9(5) . . . . ?
C49S C48S C47S C46S -179.5(3) . . . . ?
C49S C48S C47S C52S 0.0 . . . . ?
C48S C47S C52S C51S 0.0 . . . . ?
C47S C52S C51S C50S 0.0 . . . . ?
C51S C50S C49S C48S 0.0 . . . . ?
C51S C50S C53S C54S 3.4(6) . . . . ?
C51S C50S C53S C55S -115.1(4) . . . . ?
C51S C50S C53S C56S 125.2(4) . . . . ?
C53S C50S C49S C48S 178.2(4) . . . . ?
C53S C50S C51S C52S -178.1(4) . . . . ?
C8S C5S C6S C7S -179.1(9) . . . . ?
C33S C32S C31S C30S 0.0 . . . . ?
C33S C32S C31S C34S -178.4(11) . . . . ?
C32S C33S C28S C27S 176.1(11) . . . . ?
C32S C33S C28S C29S 0.0 . . . . ?
C32S C31S C30S C29S 0.0 . . . . ?
C32S C31S C34S C36S 38.9(17) . . . . ?
C32S C31S C34S C37S -63.7(12) . . . . ?
C32S C31S C34S C35S 170.6(11) . . . . ?
C31S C30S C29S C28S 0.0 . . . . ?
C30S C31S C34S C36S -139.5(11) . . . . ?
C30S C31S C34S C37S 118.0(11) . . . . ?
C30S C31S C34S C35S -7.8(18) . . . . ?
C30S C29S C28S C27S -176.7(9) . . . . ?
C30S C29S C28S C33S 0.0 . . . . ?
C28S C33S C32S C31S 0.0 . . . . ?
C34S C31S C30S C29S 178.4(11) . . . . ?
C11S C12S C5T C6T -167.8(16) . . . . ?
C11S C12S C5T C4T 12(2) . . . . ?
C12S C5T C6T C7T -175.5(15) . . . . ?
C12S C5T C4T C3T 177.5(17) . . . . ?
C13S C12S C5T C6T 75.9(18) . . . . ?
C13S C12S C5T C4T -104.4(19) . . . . ?
C14S C12S C5T C6T -43.1(16) . . . . ?
C14S C12S C5T C4T 136.6(15) . . . . ?
C38S C39S C40S C41S 176.2(14) . . . . ?
C38S C39S C40S C45S -10.5(19) . . . . ?
C39S C40S C41S C42S 173.2(14) . . . . ?
C39S C40S C45S C44S -174.7(13) . . . . ?
C40S C41S C42S C43S 0(3) . . . . ?
C41S C40S C45S C44S -1.2(19) . . . . ?
C41S C42S C43S C27S -166(2) . . . . ?
C41S C42S C43S C44S 1(3) . . . . ?
C42S C43S C44S C45S -3(3) . . . . ?
C43S C44S C45S C40S 3(2) . . . . ?
C45S C40S C41S C42S 0(2) . . . . ?
C5T C6T C7T C2S -5(3) . . . . ?
C6T C5T C4T C3T -3(2) . . . . ?
C7T C2S C3T C4T 0(3) . . . . ?
C3T C2S C7T C6T 2(2) . . . . ?
C4T C5T C6T C7T 5(2) . . . . ?

_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 -0.250 0.250 0.250 2075.8 532.9 '29.625 methanol'
2 0.250 -0.250 0.750 2075.8 582.0 '29.625 methanol'
3 -0.250 0.250 0.750 2075.8 555.0 '29.625 methanol'
4 0.250 0.750 0.250 2075.8 560.0 '29.625 methanol'
5 0.250 0.250 0.360 7.2 0.0 ?
6 0.250 0.250 0.422 8.1 0.0 ?
7 0.250 0.250 0.860 7.2 0.0 ?
8 0.250 0.250 0.922 8.1 0.0 ?
9 0.750 0.750 0.078 8.1 0.0 ?
10 0.750 0.750 0.140 7.2 0.0 ?
11 0.750 0.750 0.578 8.1 0.0 ?
12 0.750 0.750 0.640 7.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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
;
