# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2016

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1000764'
_audit_update_record             
;
2015-08-24 deposited with the CCDC.
2016-06-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H68 Ag4 B4 F16 O8 S4'
_chemical_formula_weight         1752.04

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.2688(18)
_cell_length_b                   17.186(2)
_cell_length_c                   14.3147(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.795(2)
_cell_angle_gamma                90.00
_cell_volume                     3170.1(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9968
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1744
_exptl_absorpt_coefficient_mu    1.447
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6960
_exptl_absorpt_correction_T_max  0.7806
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26613
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_sigmaI/netI    0.0370
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.58
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6222
_reflns_number_gt                5272
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0623P)²+4.6237P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6222
_refine_ls_number_parameters     406
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0371
_refine_ls_wR_factor_ref         0.1055
_refine_ls_wR_factor_gt          0.0991
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.86720(2) 0.126594(17) 0.530093(19) 0.02774(10) Uani 1 1 d . . .
Ag2 Ag 0.79235(2) -0.095628(19) 0.38290(2) 0.03229(10) Uani 1 1 d . . .
S1 S 0.78542(6) -0.00828(5) 0.51806(6) 0.02111(18) Uani 1 1 d . . .
S2 S 1.03467(7) 0.11369(5) 0.66020(6) 0.02216(19) Uani 1 1 d . . .
O1 O 0.8737(2) 0.26832(16) 0.5978(2) 0.0327(6) Uani 1 1 d . . .
O2 O 0.67808(19) 0.17081(16) 0.48250(18) 0.0293(6) Uani 1 1 d . . .
B1 B 0.6768(4) -0.2444(3) 0.5047(4) 0.0388(11) Uani 1 1 d . . .
F1 F 0.7133(4) -0.2146(2) 0.4305(3) 0.0898(13) Uani 1 1 d . . .
F2 F 0.6387(3) -0.1877(2) 0.5514(3) 0.0967(14) Uani 1 1 d . . .
F3 F 0.7603(3) -0.2797(2) 0.5663(3) 0.0880(12) Uani 1 1 d . . .
F4 F 0.6037(2) -0.30072(16) 0.47147(19) 0.0507(7) Uani 1 1 d . . .
C1 C 0.7840(3) 0.3184(2) 0.5725(3) 0.0318(8) Uani 1 1 d . . .
H1A H 0.7687 0.3308 0.5030 0.038 Uiso 1 1 calc R . .
H1B H 0.7978 0.3677 0.6091 0.038 Uiso 1 1 calc R . .
C2 C 0.6929(3) 0.2775(3) 0.5959(3) 0.0382(10) Uani 1 1 d . . .
H2A H 0.7195 0.2402 0.6487 0.046 Uiso 1 1 calc R . .
H2B H 0.6507 0.3166 0.6203 0.046 Uiso 1 1 calc R . .
C3 C 0.6231(3) 0.2343(3) 0.5148(4) 0.0531(13) Uani 1 1 d . . .
H3A H 0.5629 0.2135 0.5363 0.064 Uiso 1 1 calc R . .
H3B H 0.5968 0.2705 0.4606 0.064 Uiso 1 1 calc R . .
C4 C 0.6155(3) 0.1273(2) 0.4090(3) 0.0280(8) Uani 1 1 d . . .
C5 C 0.5710(3) 0.1617(3) 0.3208(3) 0.0364(9) Uani 1 1 d . . .
H5A H 0.5831 0.2151 0.3101 0.044 Uiso 1 1 calc R . .
C6 C 0.5093(3) 0.1174(3) 0.2488(3) 0.0433(11) Uani 1 1 d . . .
H6A H 0.4781 0.1407 0.1886 0.052 Uiso 1 1 calc R . .
C7 C 0.4925(3) 0.0399(3) 0.2637(3) 0.0438(11) Uani 1 1 d . . .
H7A H 0.4490 0.0100 0.2143 0.053 Uiso 1 1 calc R . .
C8 C 0.5389(3) 0.0055(3) 0.3508(3) 0.0326(9) Uani 1 1 d . . .
H8A H 0.5289 -0.0484 0.3601 0.039 Uiso 1 1 calc R . .
C9 C 0.6003(3) 0.0492(2) 0.4251(3) 0.0258(8) Uani 1 1 d . . .
C10 C 0.6504(3) 0.0116(2) 0.5194(3) 0.0258(8) Uani 1 1 d . . .
H10A H 0.6141 -0.0375 0.5273 0.031 Uiso 1 1 calc R . .
H10B H 0.6472 0.0467 0.5734 0.031 Uiso 1 1 calc R . .
C11 C 0.8330(3) -0.0586(2) 0.6328(2) 0.0244(7) Uani 1 1 d . . .
H11A H 0.8293 -0.0233 0.6865 0.029 Uiso 1 1 calc R . .
H11B H 0.7889 -0.1046 0.6360 0.029 Uiso 1 1 calc R . .
C12 C 0.9438(3) -0.0841(2) 0.6419(2) 0.0211(7) Uani 1 1 d . . .
C13 C 0.9605(3) -0.1546(2) 0.6000(2) 0.0255(7) Uani 1 1 d . . .
H13A H 0.9027 -0.1829 0.5640 0.031 Uiso 1 1 calc R . .
C14 C 1.0600(3) -0.1847(2) 0.6097(3) 0.0278(8) Uani 1 1 d . . .
H14A H 1.0696 -0.2332 0.5812 0.033 Uiso 1 1 calc R . .
C15 C 1.1448(3) -0.1433(2) 0.6610(3) 0.0279(8) Uani 1 1 d . . .
H15A H 1.2130 -0.1633 0.6684 0.033 Uiso 1 1 calc R . .
C16 C 1.1290(3) -0.0721(2) 0.7018(3) 0.0278(8) Uani 1 1 d . . .
H16A H 1.1874 -0.0435 0.7362 0.033 Uiso 1 1 calc R . .
C17 C 1.0298(3) -0.0417(2) 0.6937(2) 0.0223(7) Uani 1 1 d . . .
C18 C 1.0201(3) 0.0346(2) 0.7421(2) 0.0261(8) Uani 1 1 d . . .
H18A H 1.0744 0.0387 0.8027 0.031 Uiso 1 1 calc R . .
H18B H 0.9514 0.0381 0.7576 0.031 Uiso 1 1 calc R . .
C19 C 1.0348(3) 0.2004(2) 0.7344(2) 0.0273(8) Uani 1 1 d . . .
H19A H 0.9677 0.2049 0.7527 0.033 Uiso 1 1 calc R . .
H19B H 1.0908 0.1966 0.7939 0.033 Uiso 1 1 calc R . .
C20 C 1.0517(3) 0.2705(2) 0.6773(3) 0.0275(8) Uani 1 1 d . . .
C21 C 1.1492(3) 0.3032(2) 0.6902(3) 0.0356(9) Uani 1 1 d . . .
H21A H 1.2064 0.2798 0.7338 0.043 Uiso 1 1 calc R . .
C22 C 1.1648(4) 0.3692(3) 0.6407(4) 0.0450(11) Uani 1 1 d . . .
H22A H 1.2323 0.3912 0.6509 0.054 Uiso 1 1 calc R . .
C23 C 1.0831(4) 0.4031(3) 0.5766(3) 0.0463(11) Uani 1 1 d . . .
H23A H 1.0938 0.4492 0.5437 0.056 Uiso 1 1 calc R . .
C24 C 0.9841(4) 0.3701(2) 0.5596(3) 0.0394(10) Uani 1 1 d . . .
H24A H 0.9279 0.3925 0.5137 0.047 Uiso 1 1 calc R . .
C25 C 0.9692(3) 0.3042(2) 0.6106(3) 0.0305(8) Uani 1 1 d . . .
B2 B 0.7478(4) 0.1184(3) 0.7925(3) 0.0342(10) Uani 1 1 d . . .
F5 F 0.7752(5) 0.1857(2) 0.8351(3) 0.124(2) Uani 1 1 d . . .
F6 F 0.6446(4) 0.1256(4) 0.7534(6) 0.157(3) Uani 1 1 d . . .
F7 F 0.7666(5) 0.0568(2) 0.8497(3) 0.1150(17) Uani 1 1 d . . .
F8 F 0.7896(3) 0.1119(2) 0.7129(2) 0.0832(12) Uani 1 1 d . . .
O3 O 0.6788(3) -0.1161(2) 0.2399(2) 0.0611(10) Uani 1 1 d . . .
H3 H 0.6939 -0.0957 0.1883 0.073 Uiso 1 1 d R . .
C26 C 0.5903(4) -0.1649(4) 0.2166(4) 0.0615(15) Uani 1 1 d . . .
H26A H 0.5568 -0.1596 0.1481 0.092 Uiso 1 1 calc R . .
H26B H 0.5414 -0.1498 0.2550 0.092 Uiso 1 1 calc R . .
H26C H 0.6115 -0.2191 0.2307 0.092 Uiso 1 1 calc R . .
O4 O 0.7363(3) -0.0594(3) 0.0847(3) 0.0661(10) Uani 1 1 d . . .
H4 H 0.7454 -0.1154 0.0594 0.079 Uiso 1 1 d R . .
C27 C 0.6556(6) -0.0134(4) 0.0265(5) 0.083(2) Uani 1 1 d . . .
H27A H 0.6783 0.0062 -0.0294 0.125 Uiso 1 1 calc R . .
H27B H 0.6400 0.0306 0.0643 0.125 Uiso 1 1 calc R . .
H27C H 0.5933 -0.0453 0.0048 0.125 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 S2 2.5460(9) . ?
Ag1 S1 2.5476(10) . ?
Ag1 O2 2.554(2) . ?
Ag1 C14 2.618(3) 3_756 ?
Ag2 O3 2.261(3) . ?
Ag2 F1 2.467(3) . ?
Ag2 S1 2.4678(9) . ?
Ag2 S2 2.5339(9) 3_756 ?
S1 C10 1.829(3) . ?
S1 C11 1.830(3) . ?
S2 C19 1.829(4) . ?
S2 C18 1.835(4) . ?
S2 Ag2 2.5339(9) 3_756 ?
O1 C25 1.381(5) . ?
O1 C1 1.443(5) . ?
O2 C4 1.393(5) . ?
O2 C3 1.448(5) . ?
B1 F2 1.348(6) . ?
B1 F1 1.368(6) . ?
B1 F4 1.372(6) . ?
B1 F3 1.381(6) . ?
C1 C2 1.504(6) . ?
C2 C3 1.497(6) . ?
C4 C9 1.384(6) . ?
C4 C5 1.392(5) . ?
C5 C6 1.382(6) . ?
C6 C7 1.376(7) . ?
C7 C8 1.385(6) . ?
C8 C9 1.395(5) . ?
C9 C10 1.502(5) . ?
C11 C12 1.510(5) . ?
C12 C13 1.393(5) . ?
C12 C17 1.408(5) . ?
C13 C14 1.394(5) . ?
C14 C15 1.384(6) . ?
C14 Ag1 2.617(3) 3_756 ?
C15 C16 1.393(6) . ?
C16 C17 1.395(5) . ?
C17 C18 1.501(5) . ?
C19 C20 1.503(5) . ?
C20 C21 1.381(6) . ?
C20 C25 1.396(6) . ?
C21 C22 1.379(7) . ?
C22 C23 1.372(7) . ?
C23 C24 1.397(7) . ?
C24 C25 1.387(6) . ?
B2 F5 1.318(6) . ?
B2 F7 1.324(6) . ?
B2 F6 1.356(7) . ?
B2 F8 1.386(6) . ?
O3 C26 1.416(6) . ?
O4 C27 1.428(7) . ?

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
S2 Ag1 S1 104.69(3) . . ?
S2 Ag1 O2 148.39(6) . . ?
S1 Ag1 O2 82.94(6) . . ?
S2 Ag1 C14 100.11(9) . 3_756 ?
S1 Ag1 C14 121.60(9) . 3_756 ?
O2 Ag1 C14 101.58(10) . 3_756 ?
O3 Ag2 F1 83.41(14) . . ?
O3 Ag2 S1 131.52(11) . . ?
F1 Ag2 S1 100.96(9) . . ?
O3 Ag2 S2 101.97(10) . 3_756 ?
F1 Ag2 S2 115.79(11) . 3_756 ?
S1 Ag2 S2 118.08(3) . 3_756 ?
C10 S1 C11 101.98(16) . . ?
C10 S1 Ag2 109.97(12) . . ?
C11 S1 Ag2 110.28(13) . . ?
C10 S1 Ag1 103.44(13) . . ?
C11 S1 Ag1 108.62(12) . . ?
Ag2 S1 Ag1 120.77(3) . . ?
C19 S2 C18 102.63(17) . . ?
C19 S2 Ag2 111.44(13) . 3_756 ?
C18 S2 Ag2 107.73(12) . 3_756 ?
C19 S2 Ag1 103.50(13) . . ?
C18 S2 Ag1 108.96(12) . . ?
Ag2 S2 Ag1 121.05(3) 3_756 . ?
C25 O1 C1 116.3(3) . . ?
C4 O2 C3 113.0(3) . . ?
C4 O2 Ag1 114.4(2) . . ?
C3 O2 Ag1 132.6(2) . . ?
F2 B1 F1 111.0(5) . . ?
F2 B1 F4 111.3(4) . . ?
F1 B1 F4 110.3(4) . . ?
F2 B1 F3 109.8(4) . . ?
F1 B1 F3 106.4(4) . . ?
F4 B1 F3 107.8(4) . . ?
B1 F1 Ag2 141.0(3) . . ?
O1 C1 C2 108.9(3) . . ?
C3 C2 C1 116.2(4) . . ?
O2 C3 C2 110.8(3) . . ?
C9 C4 C5 121.1(4) . . ?
C9 C4 O2 118.6(3) . . ?
C5 C4 O2 120.3(4) . . ?
C6 C5 C4 119.3(4) . . ?
C7 C6 C5 120.5(4) . . ?
C6 C7 C8 120.0(4) . . ?
C7 C8 C9 120.6(4) . . ?
C4 C9 C8 118.5(3) . . ?
C4 C9 C10 121.1(3) . . ?
C8 C9 C10 120.4(4) . . ?
C9 C10 S1 107.2(2) . . ?
C12 C11 S1 109.6(2) . . ?
C13 C12 C17 119.0(3) . . ?
C13 C12 C11 117.8(3) . . ?
C17 C12 C11 123.1(3) . . ?
C12 C13 C14 121.6(3) . . ?
C15 C14 C13 119.6(4) . . ?
C15 C14 Ag1 79.0(2) . 3_756 ?
C13 C14 Ag1 107.3(2) . 3_756 ?
C14 C15 C16 119.3(3) . . ?
C15 C16 C17 121.9(4) . . ?
C16 C17 C12 118.7(3) . . ?
C16 C17 C18 118.2(3) . . ?
C12 C17 C18 123.2(3) . . ?
C17 C18 S2 108.6(2) . . ?
C20 C19 S2 108.5(2) . . ?
C21 C20 C25 118.7(4) . . ?
C21 C20 C19 120.7(4) . . ?
C25 C20 C19 120.6(3) . . ?
C22 C21 C20 121.1(4) . . ?
C23 C22 C21 120.1(4) . . ?
C22 C23 C24 120.3(4) . . ?
C25 C24 C23 119.1(4) . . ?
O1 C25 C24 122.5(4) . . ?
O1 C25 C20 116.8(3) . . ?
C24 C25 C20 120.7(4) . . ?
F5 B2 F7 115.1(5) . . ?
F5 B2 F6 104.5(5) . . ?
F7 B2 F6 110.6(5) . . ?
F5 B2 F8 109.3(4) . . ?
F7 B2 F8 113.0(4) . . ?
F6 B2 F8 103.3(5) . . ?
C26 O3 Ag2 129.9(3) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3 H3 O4 0.88 1.82 2.697(5) 174.5 .
O4 H4 F3 1.04 1.81 2.803(6) 156.3 4
O4 H4 F4 1.04 2.46 3.185(5) 125.3 4

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.395
_refine_diff_density_min         -0.810
_refine_diff_density_rms         0.106
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1000765'
_audit_update_record             
;
2015-08-24 deposited with the CCDC.
2016-06-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H52 Ag2 Cl2 O12 S4'
_chemical_formula_weight         1259.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pna2(1)

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   19.608(2)
_cell_length_b                   11.9909(13)
_cell_length_c                   22.223(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5225.0(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5077
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      27.95

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2560
_exptl_absorpt_coefficient_mu    1.072
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8142
_exptl_absorpt_correction_T_max  0.9004
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28622
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_av_sigmaI/netI    0.0558
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.83
_diffrn_reflns_theta_max         26.00
_reflns_number_total             10086
_reflns_number_gt                8135
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0728P)²+6.8509P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.59(3)
_refine_ls_number_reflns         10086
_refine_ls_number_parameters     630
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0517
_refine_ls_wR_factor_ref         0.1360
_refine_ls_wR_factor_gt          0.1230
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.61271(8) 0.24816(14) 0.63563(8) 0.0255(4) Uani 1 1 d . . .
Ag2 Ag 0.63039(3) 0.51026(4) 0.37717(3) 0.03276(14) Uani 1 1 d . . .
Ag1 Ag 0.59619(3) 0.44699(4) 0.62212(3) 0.03116(14) Uani 1 1 d . . .
Cl1 Cl 0.51975(10) 0.46831(19) 0.48711(9) 0.0395(5) Uani 1 1 d . . .
Cl2 Cl 0.47217(11) 0.44585(17) 0.73698(10) 0.0434(5) Uani 1 1 d . . .
S2 S 0.61550(8) -0.35224(13) 0.62611(9) 0.0263(4) Uani 1 1 d . . .
S3 S 0.64974(8) -0.29137(12) 0.37847(10) 0.0272(4) Uani 1 1 d . . .
S4 S 0.65184(8) 0.31182(12) 0.37036(8) 0.0242(4) Uani 1 1 d . . .
O1 O 0.7427(2) 0.0750(4) 0.6205(3) 0.0425(13) Uani 1 1 d . . .
O2 O 0.7790(3) -0.2540(4) 0.6465(3) 0.0382(13) Uani 1 1 d . . .
O3 O 0.7656(3) -0.1102(5) 0.4025(4) 0.077(3) Uani 1 1 d . . .
O4 O 0.8144(3) 0.2083(4) 0.3511(3) 0.0404(14) Uani 1 1 d . . .
O5 O 0.5908(3) 0.4855(7) 0.4985(3) 0.0577(19) Uani 1 1 d . . .
O6 O 0.5048(3) 0.4967(6) 0.4271(3) 0.0478(15) Uani 1 1 d . . .
O7 O 0.5086(5) 0.3450(6) 0.4904(4) 0.094(3) Uani 1 1 d . . .
O8 O 0.4772(5) 0.5199(9) 0.5275(4) 0.104(3) Uani 1 1 d U . .
O9 O 0.4705(3) 0.4579(5) 0.6737(3) 0.0430(14) Uani 1 1 d . A .
O10 O 0.4111(14) 0.434(2) 0.7653(9) 0.093(3) Uani 0.398(8) 1 d P A 1
O11 O 0.5180(16) 0.362(2) 0.7592(9) 0.093(3) Uani 0.398(8) 1 d P A 1
O12 O 0.5200(14) 0.540(2) 0.7648(9) 0.093(3) Uani 0.398(8) 1 d P A 1
O10' O 0.4313(10) 0.5296(13) 0.7637(6) 0.093(3) Uani 0.602(8) 1 d P A 2
O11' O 0.4321(9) 0.3449(13) 0.7499(6) 0.093(3) Uani 0.602(8) 1 d P A 2
O12' O 0.5404(10) 0.4385(14) 0.7514(6) 0.093(3) Uani 0.602(8) 1 d P A 2
C1 C 0.7872(4) -0.0125(6) 0.6426(4) 0.0348(18) Uani 1 1 d . . .
H1A H 0.7631 -0.0550 0.6744 0.042 Uiso 1 1 calc R . .
H1B H 0.8281 0.0218 0.6610 0.042 Uiso 1 1 calc R . .
C2 C 0.8091(5) -0.0912(7) 0.5938(4) 0.042(2) Uani 1 1 d . . .
H2A H 0.8456 -0.0557 0.5698 0.050 Uiso 1 1 calc R . .
H2B H 0.7700 -0.1054 0.5667 0.050 Uiso 1 1 calc R . .
C3 C 0.8348(4) -0.2010(6) 0.6182(4) 0.0390(18) Uani 1 1 d . . .
H3A H 0.8524 -0.2480 0.5850 0.047 Uiso 1 1 calc R . .
H3B H 0.8720 -0.1883 0.6474 0.047 Uiso 1 1 calc R . .
C4 C 0.7844(3) -0.3632(6) 0.6641(3) 0.0301(17) Uani 1 1 d . . .
C5 C 0.8405(4) -0.4281(6) 0.6540(4) 0.0335(18) Uani 1 1 d . . .
H5A H 0.8799 -0.3979 0.6353 0.040 Uiso 1 1 calc R . .
C6 C 0.8385(4) -0.5404(7) 0.6719(4) 0.041(2) Uani 1 1 d . . .
H6A H 0.8774 -0.5860 0.6653 0.049 Uiso 1 1 calc R . .
C7 C 0.7820(4) -0.5860(7) 0.6988(4) 0.0377(19) Uani 1 1 d . . .
H7A H 0.7816 -0.6621 0.7106 0.045 Uiso 1 1 calc R . .
C8 C 0.7262(4) -0.5195(7) 0.7083(3) 0.0328(17) Uani 1 1 d . . .
H8A H 0.6872 -0.5504 0.7274 0.039 Uiso 1 1 calc R . .
C9 C 0.7250(4) -0.4069(6) 0.6906(3) 0.0305(17) Uani 1 1 d . . .
C10 C 0.6620(4) -0.3387(6) 0.6973(3) 0.0302(17) Uani 1 1 d . . .
H10A H 0.6737 -0.2597 0.7051 0.036 Uiso 1 1 calc R . .
H10B H 0.6340 -0.3666 0.7312 0.036 Uiso 1 1 calc R . .
C11 C 0.5324(3) -0.2928(6) 0.6453(4) 0.0293(16) Uani 1 1 d . . .
H11A H 0.4976 -0.3227 0.6173 0.035 Uiso 1 1 calc R . .
H11B H 0.5198 -0.3165 0.6865 0.035 Uiso 1 1 calc R . .
C12 C 0.5315(3) -0.1680(6) 0.6423(3) 0.0249(16) Uani 1 1 d . . .
C13 C 0.5135(4) -0.1147(6) 0.5895(4) 0.0290(16) Uani 1 1 d . . .
H13A H 0.5020 -0.1574 0.5549 0.035 Uiso 1 1 calc R . .
C14 C 0.5120(4) 0.0019(6) 0.5868(4) 0.0323(17) Uani 1 1 d . . .
H14A H 0.5002 0.0376 0.5501 0.039 Uiso 1 1 calc R . .
C15 C 0.5461(4) -0.1035(6) 0.6919(3) 0.0326(18) Uani 1 1 d . . .
H15A H 0.5572 -0.1389 0.7288 0.039 Uiso 1 1 calc R . .
C16 C 0.5450(4) 0.0121(6) 0.6891(3) 0.0290(17) Uani 1 1 d . . .
H16A H 0.5564 0.0545 0.7238 0.035 Uiso 1 1 calc R . .
C17 C 0.5276(3) 0.0659(5) 0.6368(3) 0.0230(16) Uani 1 1 d . . .
C18 C 0.5260(3) 0.1928(5) 0.6334(4) 0.0294(17) Uani 1 1 d . . .
H18A H 0.4995 0.2229 0.6677 0.035 Uiso 1 1 calc R . .
H18B H 0.5034 0.2165 0.5957 0.035 Uiso 1 1 calc R . .
C19 C 0.6456(3) 0.1959(6) 0.5635(3) 0.0287(16) Uani 1 1 d . . .
H19A H 0.6388 0.1142 0.5613 0.034 Uiso 1 1 calc R . .
H19B H 0.6199 0.2306 0.5300 0.034 Uiso 1 1 calc R . .
C20 C 0.7196(3) 0.2222(6) 0.5570(3) 0.0280(16) Uani 1 1 d . . .
C21 C 0.7407(4) 0.3099(6) 0.5199(4) 0.0347(18) Uani 1 1 d . . .
H21A H 0.7076 0.3564 0.5012 0.042 Uiso 1 1 calc R . .
C22 C 0.8086(4) 0.3290(7) 0.5103(4) 0.043(2) Uani 1 1 d . . .
H22A H 0.8226 0.3875 0.4843 0.051 Uiso 1 1 calc R . .
C23 C 0.8566(4) 0.2634(7) 0.5382(4) 0.040(2) Uani 1 1 d . . .
H23A H 0.9036 0.2772 0.5311 0.048 Uiso 1 1 calc R . .
C24 C 0.8377(4) 0.1772(7) 0.5768(4) 0.0343(18) Uani 1 1 d . . .
H24A H 0.8715 0.1338 0.5966 0.041 Uiso 1 1 calc R . .
C25 C 0.7686(4) 0.1555(6) 0.5861(3) 0.0290(16) Uani 1 1 d . . .
C26 C 0.8055(5) -0.0243(8) 0.3697(6) 0.061(3) Uani 1 1 d . . .
H26A H 0.7765 0.0150 0.3400 0.073 Uiso 1 1 calc R . .
H26B H 0.8445 -0.0587 0.3483 0.073 Uiso 1 1 calc R . .
C27 C 0.8300(5) 0.0545(9) 0.4170(5) 0.056(3) Uani 1 1 d . . .
H27A H 0.8622 0.0165 0.4445 0.068 Uiso 1 1 calc R . .
H27B H 0.7911 0.0830 0.4409 0.068 Uiso 1 1 calc R . .
C28 C 0.8662(4) 0.1516(7) 0.3837(6) 0.057(3) Uani 1 1 d . . .
H28A H 0.8882 0.2026 0.4129 0.068 Uiso 1 1 calc R . .
H28B H 0.9015 0.1224 0.3560 0.068 Uiso 1 1 calc R . .
C29 C 0.8219(4) 0.3189(6) 0.3381(3) 0.0270(16) Uani 1 1 d . . .
C30 C 0.8804(4) 0.3810(7) 0.3501(4) 0.0331(17) Uani 1 1 d . . .
H30A H 0.9192 0.3460 0.3673 0.040 Uiso 1 1 calc R . .
C31 C 0.8819(4) 0.4934(6) 0.3369(4) 0.0356(19) Uani 1 1 d . . .
H31A H 0.9217 0.5354 0.3460 0.043 Uiso 1 1 calc R . .
C32 C 0.8275(5) 0.5452(7) 0.3108(4) 0.043(2) Uani 1 1 d . . .
H32A H 0.8294 0.6227 0.3020 0.052 Uiso 1 1 calc R . .
C33 C 0.7692(4) 0.4838(6) 0.2974(3) 0.0321(17) Uani 1 1 d . . .
H33A H 0.7314 0.5191 0.2786 0.039 Uiso 1 1 calc R . .
C34 C 0.7660(3) 0.3698(6) 0.3114(3) 0.0244(15) Uani 1 1 d . . .
C35 C 0.7016(4) 0.3039(6) 0.3002(3) 0.0284(17) Uani 1 1 d . . .
H35A H 0.7126 0.2254 0.2904 0.034 Uiso 1 1 calc R . .
H35B H 0.6756 0.3364 0.2663 0.034 Uiso 1 1 calc R . .
C36 C 0.5706(3) 0.2498(5) 0.3473(4) 0.0272(16) Uani 1 1 d . . .
H36A H 0.5331 0.2837 0.3709 0.033 Uiso 1 1 calc R . .
H36B H 0.5624 0.2662 0.3043 0.033 Uiso 1 1 calc R . .
C37 C 0.5703(3) 0.1254(5) 0.3567(3) 0.0224(16) Uani 1 1 d . . .
C38 C 0.5596(4) 0.0794(6) 0.4128(4) 0.0320(18) Uani 1 1 d . . .
H38A H 0.5530 0.1274 0.4463 0.038 Uiso 1 1 calc R . .
C39 C 0.5584(4) -0.0350(6) 0.4216(3) 0.0306(17) Uani 1 1 d . . .
H39A H 0.5513 -0.0645 0.4608 0.037 Uiso 1 1 calc R . .
C40 C 0.5807(4) 0.0521(6) 0.3084(4) 0.0324(17) Uani 1 1 d . . .
H40A H 0.5893 0.0808 0.2693 0.039 Uiso 1 1 calc R . .
C41 C 0.5785(4) -0.0622(6) 0.3178(4) 0.0314(18) Uani 1 1 d . . .
H41A H 0.5849 -0.1110 0.2846 0.038 Uiso 1 1 calc R . .
C42 C 0.5673(3) -0.1061(5) 0.3734(4) 0.0238(14) Uani 1 1 d . . .
C43 C 0.5646(3) -0.2310(5) 0.3812(4) 0.0260(14) Uani 1 1 d . . .
H43A H 0.5362 -0.2639 0.3490 0.031 Uiso 1 1 calc R . .
H43B H 0.5431 -0.2490 0.4204 0.031 Uiso 1 1 calc R . .
C44 C 0.6798(4) -0.2566(7) 0.4536(3) 0.0336(17) Uani 1 1 d . . .
H44A H 0.6691 -0.1778 0.4628 0.040 Uiso 1 1 calc R . .
H44B H 0.6566 -0.3042 0.4837 0.040 Uiso 1 1 calc R . .
C45 C 0.7562(4) -0.2751(6) 0.4567(3) 0.0300(16) Uani 1 1 d . . .
C46 C 0.7836(4) -0.3669(7) 0.4834(4) 0.0367(18) Uani 1 1 d . . .
H46A H 0.7542 -0.4217 0.5002 0.044 Uiso 1 1 calc R . .
C47 C 0.8529(4) -0.3817(7) 0.4864(4) 0.044(2) Uani 1 1 d . . .
H47A H 0.8716 -0.4439 0.5070 0.053 Uiso 1 1 calc R . .
C48 C 0.8951(4) -0.3047(7) 0.4589(4) 0.042(2) Uani 1 1 d . . .
H48A H 0.9431 -0.3156 0.4594 0.050 Uiso 1 1 calc R . .
C49 C 0.8682(5) -0.2124(8) 0.4307(5) 0.054(3) Uani 1 1 d . . .
H49A H 0.8978 -0.1585 0.4134 0.065 Uiso 1 1 calc R . .
C50 C 0.7989(5) -0.1979(7) 0.4274(5) 0.048(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
S1 C18 1.825(7) . ?
S1 C19 1.838(7) . ?
S1 Ag1 2.4248(18) . ?
Ag2 S3 2.4089(16) 1_565 ?
Ag2 S4 2.4212(15) . ?
Ag1 S2 2.4387(17) 1_565 ?
Cl1 O8 1.373(9) . ?
Cl1 O6 1.407(6) . ?
Cl1 O5 1.431(6) . ?
Cl1 O7 1.496(8) . ?
Cl2 O10 1.36(2) . ?
Cl2 O12' 1.379(19) . ?
Cl2 O9 1.415(6) . ?
Cl2 O10' 1.415(16) . ?
Cl2 O11 1.43(3) . ?
Cl2 O11' 1.472(16) . ?
Cl2 O12 1.59(3) . ?
S2 C11 1.829(7) . ?
S2 C10 1.834(7) . ?
S2 Ag1 2.4387(17) 1_545 ?
S3 C44 1.819(8) . ?
S3 C43 1.822(6) . ?
S3 Ag2 2.4089(16) 1_545 ?
S4 C36 1.831(7) . ?
S4 C35 1.841(7) . ?
O1 C25 1.332(9) . ?
O1 C1 1.450(9) . ?
O2 C4 1.371(9) . ?
O2 C3 1.413(9) . ?
O3 C50 1.356(11) . ?
O3 C26 1.485(12) . ?
O4 C29 1.364(9) . ?
O4 C28 1.421(9) . ?
C1 C2 1.500(11) . ?
C2 C3 1.510(11) . ?
C4 C5 1.366(10) . ?
C4 C9 1.406(10) . ?
C5 C6 1.405(11) . ?
C6 C7 1.372(12) . ?
C7 C8 1.370(11) . ?
C8 C9 1.406(11) . ?
C9 C10 1.489(10) . ?
C11 C12 1.498(9) . ?
C12 C15 1.377(10) . ?
C12 C13 1.382(10) . ?
C13 C14 1.399(10) . ?
C14 C17 1.385(10) . ?
C15 C16 1.387(11) . ?
C16 C17 1.374(10) . ?
C17 C18 1.524(9) . ?
C19 C20 1.493(10) . ?
C20 C21 1.399(10) . ?
C20 C25 1.406(10) . ?
C21 C22 1.369(11) . ?
C22 C23 1.374(12) . ?
C23 C24 1.393(11) . ?
C24 C25 1.396(10) . ?
C26 C27 1.493(15) . ?
C27 C28 1.551(13) . ?
C29 C34 1.387(10) . ?
C29 C30 1.394(10) . ?
C30 C31 1.380(11) . ?
C31 C32 1.364(12) . ?
C32 C33 1.393(12) . ?
C33 C34 1.403(10) . ?
C34 C35 1.511(10) . ?
C36 C37 1.506(9) . ?
C37 C38 1.377(11) . ?
C37 C40 1.402(10) . ?
C38 C39 1.386(11) . ?
C39 C42 1.380(10) . ?
C40 C41 1.387(11) . ?
C41 C42 1.361(11) . ?
C42 C43 1.508(8) . ?
C44 C45 1.516(10) . ?
C45 C46 1.361(11) . ?
C45 C50 1.407(11) . ?
C46 C47 1.373(11) . ?
C47 C48 1.382(12) . ?
C48 C49 1.377(12) . ?
C49 C50 1.372(12) . ?

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
C18 S1 C19 100.3(3) . . ?
C18 S1 Ag1 103.3(2) . . ?
C19 S1 Ag1 105.9(2) . . ?
S3 Ag2 S4 160.72(6) 1_565 . ?
S1 Ag1 S2 160.98(6) . 1_565 ?
O8 Cl1 O6 112.6(6) . . ?
O8 Cl1 O5 114.3(5) . . ?
O6 Cl1 O5 109.6(4) . . ?
O8 Cl1 O7 108.9(6) . . ?
O6 Cl1 O7 104.8(5) . . ?
O5 Cl1 O7 106.0(5) . . ?
O10 Cl2 O12' 137.8(12) . . ?
O10 Cl2 O9 116.8(10) . . ?
O12' Cl2 O9 105.1(6) . . ?
O10 Cl2 O10' 51.6(11) . . ?
O12' Cl2 O10' 119.9(10) . . ?
O9 Cl2 O10' 109.4(7) . . ?
O10 Cl2 O11 108.8(15) . . ?
O12' Cl2 O11 42.8(11) . . ?
O9 Cl2 O11 115.3(9) . . ?
O10' Cl2 O11 134.9(10) . . ?
O10 Cl2 O11' 49.9(11) . . ?
O12' Cl2 O11' 114.9(9) . . ?
O9 Cl2 O11' 105.4(6) . . ?
O10' Cl2 O11' 101.5(9) . . ?
O11 Cl2 O11' 72.1(13) . . ?
O10 Cl2 O12 114.2(13) . . ?
O12' Cl2 O12 52.0(11) . . ?
O9 Cl2 O12 109.1(8) . . ?
O10' Cl2 O12 70.5(11) . . ?
O11 Cl2 O12 89.6(14) . . ?
O11' Cl2 O12 145.3(9) . . ?
C11 S2 C10 102.0(4) . . ?
C11 S2 Ag1 104.7(2) . 1_545 ?
C10 S2 Ag1 101.3(3) . 1_545 ?
C44 S3 C43 100.1(4) . . ?
C44 S3 Ag2 106.7(3) . 1_545 ?
C43 S3 Ag2 104.4(2) . 1_545 ?
C36 S4 C35 101.7(3) . . ?
C36 S4 Ag2 105.4(2) . . ?
C35 S4 Ag2 101.3(2) . . ?
C25 O1 C1 119.3(6) . . ?
C4 O2 C3 119.8(5) . . ?
C50 O3 C26 119.0(7) . . ?
C29 O4 C28 119.8(6) . . ?
O1 C1 C2 112.5(7) . . ?
C1 C2 C3 112.7(7) . . ?
O2 C3 C2 107.0(6) . . ?
C5 C4 O2 124.0(7) . . ?
C5 C4 C9 121.5(7) . . ?
O2 C4 C9 114.3(6) . . ?
C4 C5 C6 118.5(7) . . ?
C7 C6 C5 121.8(7) . . ?
C8 C7 C6 118.7(8) . . ?
C7 C8 C9 122.0(7) . . ?
C4 C9 C8 117.5(6) . . ?
C4 C9 C10 121.6(7) . . ?
C8 C9 C10 120.9(7) . . ?
C9 C10 S2 106.2(5) . . ?
C12 C11 S2 112.9(5) . . ?
C15 C12 C13 118.2(7) . . ?
C15 C12 C11 121.6(7) . . ?
C13 C12 C11 120.2(6) . . ?
C12 C13 C14 120.3(7) . . ?
C17 C14 C13 120.9(7) . . ?
C12 C15 C16 121.6(7) . . ?
C17 C16 C15 120.7(7) . . ?
C16 C17 C14 118.3(6) . . ?
C16 C17 C18 121.0(6) . . ?
C14 C17 C18 120.7(6) . . ?
C17 C18 S1 110.1(4) . . ?
C20 C19 S1 110.7(5) . . ?
C21 C20 C25 119.8(7) . . ?
C21 C20 C19 120.2(6) . . ?
C25 C20 C19 119.9(7) . . ?
C22 C21 C20 120.3(7) . . ?
C21 C22 C23 120.0(8) . . ?
C22 C23 C24 121.4(7) . . ?
C23 C24 C25 119.2(7) . . ?
O1 C25 C24 126.1(7) . . ?
O1 C25 C20 114.6(6) . . ?
C24 C25 C20 119.2(7) . . ?
O3 C26 C27 105.2(9) . . ?
C26 C27 C28 106.6(9) . . ?
O4 C28 C27 106.0(6) . . ?
O4 C29 C34 115.7(6) . . ?
O4 C29 C30 124.5(7) . . ?
C34 C29 C30 119.7(7) . . ?
C31 C30 C29 120.0(7) . . ?
C32 C31 C30 121.2(7) . . ?
C31 C32 C33 119.5(8) . . ?
C32 C33 C34 120.2(7) . . ?
C29 C34 C33 119.3(7) . . ?
C29 C34 C35 120.0(6) . . ?
C33 C34 C35 120.6(7) . . ?
C34 C35 S4 106.0(5) . . ?
C37 C36 S4 111.6(5) . . ?
C38 C37 C40 117.6(6) . . ?
C38 C37 C36 121.5(6) . . ?
C40 C37 C36 120.9(6) . . ?
C37 C38 C39 121.8(7) . . ?
C42 C39 C38 120.0(7) . . ?
C41 C40 C37 119.9(7) . . ?
C42 C41 C40 121.6(7) . . ?
C41 C42 C39 119.1(6) . . ?
C41 C42 C43 119.7(7) . . ?
C39 C42 C43 121.3(7) . . ?
C42 C43 S3 111.0(4) . . ?
C45 C44 S3 109.1(5) . . ?
C46 C45 C50 119.9(7) . . ?
C46 C45 C44 121.8(7) . . ?
C50 C45 C44 118.2(7) . . ?
C45 C46 C47 121.1(7) . . ?
C46 C47 C48 119.0(7) . . ?
C49 C48 C47 120.5(8) . . ?
C50 C49 C48 120.4(9) . . ?
O3 C50 C49 126.6(8) . . ?
O3 C50 C45 114.3(8) . . ?
C49 C50 C45 118.8(8) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.431
_refine_diff_density_min         -0.860
_refine_diff_density_rms         0.129
