# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_e2682a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H34 Ag N3 O3 S4,C H Cl3,C H4 O'
_chemical_formula_sum            'C34 H39 Ag Cl3 N3 O4 S4'
_chemical_formula_weight         896.14

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_Hall  '-C 2yc'

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'
'-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                   17.4196(3)
_cell_length_b                   15.7381(3)
_cell_length_c                   29.2392(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.8830(10)
_cell_angle_gamma                90.00
_cell_volume                     7940.2(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9563
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      27.79

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3664
_exptl_absorpt_coefficient_mu    0.960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9359
_exptl_absorpt_correction_T_max  0.9536
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 We constrained distances and angles on the disorder
of  the methyl groups
;

_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            45043
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0416
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         1.41
_diffrn_reflns_theta_max         30.11
_reflns_number_total             11678
_reflns_number_gt                8204
_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 F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0600P)^2^+9.1330P] where P=(Fo^2^+2Fc^2^)/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         11678
_refine_ls_number_parameters     452
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0420
_refine_ls_wR_factor_ref         0.1283
_refine_ls_wR_factor_gt          0.1048
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.006
_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 0.169435(15) 0.686995(17) 0.041907(8) 0.04828(9) Uani 1 1 d . . .
S1 S 0.0000 0.65301(5) 0.2500 0.0296(2) Uani 1 2 d S . .
C1 C 0.05210(14) 0.58408(15) 0.29129(7) 0.0218(5) Uani 1 1 d . . .
C2 C 0.10813(13) 0.52715(15) 0.28030(7) 0.0228(5) Uani 1 1 d . . .
C3 C 0.14785(13) 0.47832(16) 0.31618(8) 0.0243(5) Uani 1 1 d . . .
C4 C 0.13443(14) 0.49061(16) 0.36148(8) 0.0255(5) Uani 1 1 d . . .
H4 H 0.1633 0.4583 0.3854 0.031 Uiso 1 1 calc R . .
C5 C 0.08018(13) 0.54867(15) 0.37282(7) 0.0222(5) Uani 1 1 d . A .
C6 C 0.03901(14) 0.59415(15) 0.33697(8) 0.0235(5) Uani 1 1 d . . .
H6 H 0.0007 0.6334 0.3437 0.028 Uiso 1 1 calc R . .
S2 S 0.12801(4) 0.51612(4) 0.222680(19) 0.02877(14) Uani 1 1 d . . .
C7 C 0.21376(16) 0.58241(19) 0.22412(9) 0.0348(6) Uani 1 1 d . . .
H7A H 0.2012 0.6426 0.2295 0.042 Uiso 1 1 calc R . .
H7B H 0.2548 0.5636 0.2489 0.042 Uiso 1 1 calc R . .
C8 C 0.23947(15) 0.57152(17) 0.17750(8) 0.0292(5) Uani 1 1 d . . .
C9 C 0.20436(15) 0.61748(17) 0.14011(8) 0.0300(5) Uani 1 1 d . . .
H9 H 0.1664 0.6585 0.1452 0.036 Uiso 1 1 calc R . .
N1 N 0.22117(14) 0.60713(15) 0.09698(7) 0.0340(5) Uani 1 1 d . . .
C10 C 0.27526(18) 0.54914(19) 0.09020(10) 0.0398(7) Uani 1 1 d . . .
H10 H 0.2876 0.5406 0.0599 0.048 Uiso 1 1 calc R . .
C11 C 0.31305(19) 0.5022(2) 0.12570(11) 0.0449(8) Uani 1 1 d . . .
H11 H 0.3514 0.4621 0.1199 0.054 Uiso 1 1 calc R . .
C12 C 0.29547(17) 0.51308(19) 0.16966(10) 0.0382(6) Uani 1 1 d . . .
H12 H 0.3216 0.4808 0.1945 0.046 Uiso 1 1 calc R . .
C13 C 0.06177(15) 0.55607(17) 0.42237(8) 0.0302(6) Uani 1 1 d D . .
C14 C 0.0438(5) 0.6477(5) 0.4338(2) 0.0590(9) Uani 0.560(4) 1 d PD A 1
H14A H 0.0210 0.6494 0.4626 0.089 Uiso 0.560(4) 1 calc PR A 1
H14B H 0.0071 0.6717 0.4087 0.089 Uiso 0.560(4) 1 calc PR A 1
H14C H 0.0918 0.6811 0.4374 0.089 Uiso 0.560(4) 1 calc PR A 1
C15 C -0.0157(4) 0.5038(5) 0.42320(19) 0.0590(9) Uani 0.560(4) 1 d PD A 1
H15A H -0.0086 0.4457 0.4125 0.089 Uiso 0.560(4) 1 calc PR A 1
H15B H -0.0580 0.5312 0.4029 0.089 Uiso 0.560(4) 1 calc PR A 1
H15C H -0.0286 0.5022 0.4548 0.089 Uiso 0.560(4) 1 calc PR A 1
C16 C 0.1218(4) 0.5172(5) 0.45801(18) 0.0590(9) Uani 0.560(4) 1 d PD A 1
H16A H 0.1178 0.4552 0.4564 0.089 Uiso 0.560(4) 1 calc PR A 1
H16B H 0.1134 0.5364 0.4888 0.089 Uiso 0.560(4) 1 calc PR A 1
H16C H 0.1736 0.5347 0.4521 0.089 Uiso 0.560(4) 1 calc PR A 1
C14A C 0.0278(5) 0.4710(5) 0.4351(2) 0.0590(9) Uani 0.440(4) 1 d PD A 2
H14D H 0.0694 0.4289 0.4410 0.089 Uiso 0.440(4) 1 calc PR A 2
H14E H -0.0106 0.4516 0.4096 0.089 Uiso 0.440(4) 1 calc PR A 2
H14F H 0.0029 0.4781 0.4630 0.089 Uiso 0.440(4) 1 calc PR A 2
C15A C 0.0047(5) 0.6286(6) 0.4290(3) 0.0590(9) Uani 0.440(4) 1 d PD A 2
H15D H 0.0040 0.6382 0.4620 0.089 Uiso 0.440(4) 1 calc PR A 2
H15E H -0.0473 0.6131 0.4143 0.089 Uiso 0.440(4) 1 calc PR A 2
H15F H 0.0214 0.6807 0.4148 0.089 Uiso 0.440(4) 1 calc PR A 2
C16A C 0.1377(4) 0.5753(7) 0.4548(2) 0.0590(9) Uani 0.440(4) 1 d PD A 2
H16D H 0.1263 0.5819 0.4865 0.089 Uiso 0.440(4) 1 calc PR A 2
H16E H 0.1607 0.6278 0.4449 0.089 Uiso 0.440(4) 1 calc PR A 2
H16F H 0.1742 0.5282 0.4535 0.089 Uiso 0.440(4) 1 calc PR A 2
S3 S 0.22104(4) 0.40376(5) 0.30746(2) 0.03212(15) Uani 1 1 d . . .
C17 C 0.17380(14) 0.32867(16) 0.26779(8) 0.0257(5) Uani 1 1 d . . .
C18 C 0.10814(14) 0.28248(16) 0.27601(8) 0.0242(5) Uani 1 1 d . . .
C19 C 0.07897(15) 0.22206(15) 0.24301(8) 0.0252(5) Uani 1 1 d . . .
C20 C 0.11564(15) 0.20701(15) 0.20429(8) 0.0268(5) Uani 1 1 d . . .
H20 H 0.0948 0.1654 0.1825 0.032 Uiso 1 1 calc R . .
C21 C 0.18142(14) 0.25087(15) 0.19660(8) 0.0246(5) Uani 1 1 d . . .
C22 C 0.20945(15) 0.31212(16) 0.22885(8) 0.0279(5) Uani 1 1 d . . .
H22 H 0.2542 0.3437 0.2242 0.033 Uiso 1 1 calc R . .
S4 S 0.06564(4) 0.29650(4) 0.32722(2) 0.02821(14) Uani 1 1 d . . .
C23 C 0.1224(2) 0.2174(2) 0.36122(9) 0.0517(9) Uani 1 1 d . . .
H23A H 0.1192 0.1627 0.3443 0.062 Uiso 1 1 calc R . .
H23B H 0.1774 0.2352 0.3666 0.062 Uiso 1 1 calc R . .
C24 C 0.09267(17) 0.20623(18) 0.40672(8) 0.0338(6) Uani 1 1 d . . .
C25 C 0.12380(16) 0.25493(18) 0.44349(9) 0.0331(6) Uani 1 1 d . . .
H25 H 0.1628 0.2951 0.4389 0.040 Uiso 1 1 calc R . .
N2 N 0.10219(14) 0.24887(16) 0.48541(7) 0.0376(6) Uani 1 1 d . . .
C26 C 0.04750(19) 0.1921(2) 0.49147(10) 0.0445(8) Uani 1 1 d . . .
H26 H 0.0312 0.1874 0.5211 0.053 Uiso 1 1 calc R . .
C27 C 0.01395(19) 0.1402(2) 0.45667(12) 0.0495(8) Uani 1 1 d . . .
H27 H -0.0244 0.1000 0.4622 0.059 Uiso 1 1 calc R . .
C28 C 0.03679(19) 0.1475(2) 0.41344(11) 0.0453(7) Uani 1 1 d . . .
H28 H 0.0143 0.1125 0.3887 0.054 Uiso 1 1 calc R . .
C29 C 0.21681(16) 0.23859(17) 0.15183(8) 0.0304(6) Uani 1 1 d . . .
C30 C 0.30397(17) 0.2577(2) 0.15923(10) 0.0451(8) Uani 1 1 d . . .
H30A H 0.3123 0.3174 0.1681 0.068 Uiso 1 1 calc R . .
H30B H 0.3255 0.2469 0.1305 0.068 Uiso 1 1 calc R . .
H30C H 0.3298 0.2211 0.1838 0.068 Uiso 1 1 calc R . .
C31 C 0.1758(2) 0.3001(2) 0.11584(10) 0.0473(8) Uani 1 1 d . . .
H31A H 0.1199 0.2891 0.1118 0.071 Uiso 1 1 calc R . .
H31B H 0.1956 0.2918 0.0864 0.071 Uiso 1 1 calc R . .
H31C H 0.1857 0.3587 0.1264 0.071 Uiso 1 1 calc R . .
C32 C 0.2040(2) 0.1471(2) 0.13342(11) 0.0488(8) Uani 1 1 d . . .
H32A H 0.2263 0.1068 0.1571 0.073 Uiso 1 1 calc R . .
H32B H 0.2293 0.1402 0.1057 0.073 Uiso 1 1 calc R . .
H32C H 0.1484 0.1363 0.1257 0.073 Uiso 1 1 calc R . .
S5 S 0.0000 0.15390(6) 0.2500 0.0333(2) Uani 1 2 d S . .
N3 N 0.19684(14) 0.89866(17) 0.05256(8) 0.0376(5) Uani 1 1 d . . .
O1 O 0.19517(13) 0.83803(15) 0.08018(7) 0.0473(5) Uani 1 1 d . . .
O2 O 0.23001(15) 0.88974(17) 0.01765(8) 0.0611(7) Uani 1 1 d . . .
O3 O 0.16599(16) 0.96630(16) 0.06007(9) 0.0599(7) Uani 1 1 d . . .
C33 C 0.07468(17) 0.89846(17) 0.14772(10) 0.0364(6) Uani 1 1 d . . .
H33 H 0.1250 0.9059 0.1353 0.044 Uiso 1 1 calc R . .
Cl1 Cl 0.07739(7) 0.80330(5) 0.17890(4) 0.0650(3) Uani 1 1 d . . .
Cl2 Cl 0.06169(6) 0.98346(5) 0.18472(3) 0.0559(2) Uani 1 1 d . . .
Cl3 Cl -0.00153(5) 0.89846(7) 0.10146(3) 0.0595(3) Uani 1 1 d . . .
C34 C 0.1744(3) 0.1449(3) 0.98646(16) 0.0792(13) Uani 1 1 d . . .
H34A H 0.1690 0.1698 1.0166 0.119 Uiso 1 1 calc R . .
H34B H 0.1560 0.1856 0.9620 0.119 Uiso 1 1 calc R . .
H34C H 0.2291 0.1316 0.9852 0.119 Uiso 1 1 calc R . .
O4 O 0.13079(17) 0.07106(19) 0.98026(9) 0.0680(7) Uani 1 1 d . . .
H4A H 0.1466 0.0362 1.0012 0.102 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.05805(17) 0.05681(17) 0.02793(12) 0.01007(10) -0.00148(10) -0.01642(12)
S1 0.0520(6) 0.0195(4) 0.0174(4) 0.000 0.0050(4) 0.000
C1 0.0273(12) 0.0218(11) 0.0165(10) -0.0023(8) 0.0037(9) -0.0071(9)
C2 0.0242(12) 0.0294(12) 0.0162(10) -0.0062(8) 0.0079(8) -0.0084(10)
C3 0.0187(11) 0.0354(13) 0.0192(10) -0.0049(9) 0.0044(8) -0.0029(10)
C4 0.0230(12) 0.0347(13) 0.0188(10) -0.0025(9) 0.0027(9) 0.0009(10)
C5 0.0247(12) 0.0280(12) 0.0148(10) -0.0030(8) 0.0067(8) -0.0047(10)
C6 0.0295(13) 0.0230(12) 0.0190(10) -0.0023(8) 0.0070(9) -0.0006(10)
S2 0.0272(3) 0.0445(4) 0.0162(3) -0.0069(2) 0.0089(2) -0.0087(3)
C7 0.0367(15) 0.0460(16) 0.0229(12) -0.0017(11) 0.0090(11) -0.0164(13)
C8 0.0301(13) 0.0339(14) 0.0261(12) -0.0003(10) 0.0125(10) -0.0104(11)
C9 0.0298(13) 0.0360(14) 0.0259(12) -0.0022(10) 0.0092(10) -0.0072(11)
N1 0.0397(13) 0.0408(13) 0.0232(10) 0.0003(9) 0.0100(9) -0.0114(11)
C10 0.0525(18) 0.0367(15) 0.0360(15) -0.0061(12) 0.0264(13) -0.0126(13)
C11 0.0498(18) 0.0356(16) 0.0557(19) -0.0003(14) 0.0301(15) 0.0017(14)
C12 0.0389(16) 0.0363(15) 0.0414(15) 0.0098(12) 0.0126(12) -0.0014(13)
C13 0.0373(14) 0.0398(15) 0.0153(10) -0.0003(9) 0.0101(10) 0.0078(12)
C14 0.068(2) 0.088(2) 0.0241(11) -0.0004(14) 0.0184(14) 0.012(2)
C15 0.068(2) 0.088(2) 0.0241(11) -0.0004(14) 0.0184(14) 0.012(2)
C16 0.068(2) 0.088(2) 0.0241(11) -0.0004(14) 0.0184(14) 0.012(2)
C14A 0.068(2) 0.088(2) 0.0241(11) -0.0004(14) 0.0184(14) 0.012(2)
C15A 0.068(2) 0.088(2) 0.0241(11) -0.0004(14) 0.0184(14) 0.012(2)
C16A 0.068(2) 0.088(2) 0.0241(11) -0.0004(14) 0.0184(14) 0.012(2)
S3 0.0208(3) 0.0504(4) 0.0250(3) -0.0107(3) 0.0027(2) 0.0065(3)
C17 0.0235(12) 0.0337(13) 0.0204(11) -0.0013(9) 0.0052(9) 0.0085(10)
C18 0.0299(13) 0.0268(12) 0.0179(10) 0.0031(8) 0.0106(9) 0.0099(10)
C19 0.0325(13) 0.0207(11) 0.0253(11) 0.0037(9) 0.0137(10) 0.0075(10)
C20 0.0387(14) 0.0216(12) 0.0223(11) -0.0002(9) 0.0125(10) 0.0066(10)
C21 0.0310(13) 0.0260(12) 0.0186(10) 0.0027(9) 0.0099(9) 0.0129(10)
C22 0.0264(13) 0.0363(14) 0.0230(11) -0.0003(10) 0.0105(9) 0.0072(11)
S4 0.0347(3) 0.0325(3) 0.0202(3) 0.0023(2) 0.0136(2) 0.0096(3)
C23 0.068(2) 0.068(2) 0.0222(13) 0.0137(13) 0.0179(14) 0.0417(18)
C24 0.0414(16) 0.0423(16) 0.0182(11) 0.0042(10) 0.0061(10) 0.0171(13)
C25 0.0373(15) 0.0382(15) 0.0255(12) 0.0071(10) 0.0105(11) 0.0075(12)
N2 0.0474(14) 0.0472(14) 0.0183(10) 0.0017(9) 0.0054(10) 0.0090(12)
C26 0.0472(18) 0.062(2) 0.0276(14) 0.0110(13) 0.0155(13) 0.0098(15)
C27 0.0407(17) 0.055(2) 0.054(2) 0.0132(16) 0.0098(15) -0.0051(15)
C28 0.0509(19) 0.0459(18) 0.0360(15) -0.0033(13) -0.0052(14) 0.0025(15)
C29 0.0392(15) 0.0327(14) 0.0226(11) 0.0029(10) 0.0165(10) 0.0110(11)
C30 0.0399(17) 0.060(2) 0.0402(16) -0.0047(14) 0.0230(13) 0.0096(15)
C31 0.059(2) 0.056(2) 0.0291(14) 0.0111(13) 0.0162(14) 0.0144(16)
C32 0.071(2) 0.0430(18) 0.0397(16) -0.0114(13) 0.0347(16) 0.0046(16)
S5 0.0480(6) 0.0191(4) 0.0380(5) 0.000 0.0247(4) 0.000
N3 0.0339(13) 0.0461(15) 0.0334(12) -0.0100(11) 0.0064(10) -0.0106(11)
O1 0.0553(14) 0.0557(14) 0.0295(10) -0.0014(9) 0.0009(9) 0.0005(11)
O2 0.0654(16) 0.0748(18) 0.0501(14) -0.0070(12) 0.0327(12) -0.0064(13)
O3 0.0786(18) 0.0454(14) 0.0616(15) -0.0067(12) 0.0308(13) 0.0012(13)
C33 0.0426(16) 0.0278(14) 0.0403(15) -0.0037(11) 0.0111(13) 0.0014(12)
Cl1 0.0870(7) 0.0280(4) 0.0835(7) 0.0085(4) 0.0239(6) 0.0003(4)
Cl2 0.0868(7) 0.0319(4) 0.0481(4) -0.0109(3) 0.0064(4) 0.0042(4)
Cl3 0.0424(4) 0.0845(7) 0.0505(5) -0.0252(4) 0.0027(4) 0.0101(4)
C34 0.080(3) 0.088(3) 0.069(3) 0.021(2) 0.008(2) -0.004(3)
O4 0.0761(19) 0.075(2) 0.0526(16) -0.0044(13) 0.0073(13) 0.0088(16)

_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 N2 2.142(2) 6_565 ?
Ag1 N1 2.142(2) . ?
S1 C1 1.777(2) . ?
S1 C1 1.777(2) 2 ?
C1 C2 1.395(3) . ?
C1 C6 1.395(3) . ?
C2 C3 1.404(3) . ?
C2 S2 1.774(2) . ?
C3 C4 1.390(3) . ?
C3 S3 1.777(2) . ?
C4 C5 1.387(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.385(3) . ?
C5 C13 1.531(3) . ?
C6 H6 0.9500 . ?
S2 C7 1.818(3) . ?
C7 C8 1.502(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.382(4) . ?
C8 C12 1.382(4) . ?
C9 N1 1.343(3) . ?
C9 H9 0.9500 . ?
N1 C10 1.346(4) . ?
C10 C11 1.367(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.372(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C16 1.502(6) . ?
C13 C14 1.523(7) . ?
C13 C14A 1.530(8) . ?
C13 C16A 1.548(8) . ?
C13 C15A 1.543(8) . ?
C13 C15 1.584(7) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 0.9800 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
S3 C17 1.777(3) . ?
C17 C22 1.394(3) . ?
C17 C18 1.403(3) . ?
C18 C19 1.400(3) . ?
C18 S4 1.773(2) . ?
C19 C20 1.394(3) . ?
C19 S5 1.778(3) . ?
C20 C21 1.382(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.389(4) . ?
C21 C29 1.534(3) . ?
C22 H22 0.9500 . ?
S4 C23 1.802(3) . ?
C23 C24 1.503(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.370(4) . ?
C24 C28 1.376(5) . ?
C25 N2 1.334(3) . ?
C25 H25 0.9500 . ?
N2 C26 1.336(4) . ?
N2 Ag1 2.142(2) 6_566 ?
C26 C27 1.371(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.381(4) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C31 1.532(4) . ?
C29 C30 1.534(4) . ?
C29 C32 1.542(4) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
S5 C19 1.778(3) 2 ?
N3 O3 1.226(3) . ?
N3 O2 1.248(3) . ?
N3 O1 1.253(3) . ?
C33 Cl1 1.751(3) . ?
C33 Cl2 1.755(3) . ?
C33 Cl3 1.761(3) . ?
C33 H33 1.0000 . ?
C34 O4 1.387(5) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
O4 H4A 0.8400 . ?

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
N2 Ag1 N1 170.23(9) 6_565 . ?
C1 S1 C1 104.75(15) . 2 ?
C2 C1 C6 120.3(2) . . ?
C2 C1 S1 122.96(16) . . ?
C6 C1 S1 116.49(18) . . ?
C1 C2 C3 117.93(19) . . ?
C1 C2 S2 121.04(18) . . ?
C3 C2 S2 121.03(18) . . ?
C4 C3 C2 120.4(2) . . ?
C4 C3 S3 116.51(19) . . ?
C2 C3 S3 122.97(17) . . ?
C5 C4 C3 121.9(2) . . ?
C5 C4 H4 119.0 . . ?
C3 C4 H4 119.0 . . ?
C6 C5 C4 117.3(2) . . ?
C6 C5 C13 121.5(2) . . ?
C4 C5 C13 121.0(2) . . ?
C5 C6 C1 122.0(2) . . ?
C5 C6 H6 119.0 . . ?
C1 C6 H6 119.0 . . ?
C2 S2 C7 100.88(11) . . ?
C8 C7 S2 105.07(18) . . ?
C8 C7 H7A 110.7 . . ?
S2 C7 H7A 110.7 . . ?
C8 C7 H7B 110.7 . . ?
S2 C7 H7B 110.7 . . ?
H7A C7 H7B 108.8 . . ?
C9 C8 C12 117.6(2) . . ?
C9 C8 C7 120.2(2) . . ?
C12 C8 C7 122.1(3) . . ?
N1 C9 C8 123.3(3) . . ?
N1 C9 H9 118.3 . . ?
C8 C9 H9 118.3 . . ?
C9 N1 C10 117.9(2) . . ?
C9 N1 Ag1 120.8(2) . . ?
C10 N1 Ag1 121.22(18) . . ?
N1 C10 C11 121.9(2) . . ?
N1 C10 H10 119.0 . . ?
C11 C10 H10 119.0 . . ?
C10 C11 C12 119.8(3) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C8 119.5(3) . . ?
C11 C12 H12 120.3 . . ?
C8 C12 H12 120.3 . . ?
C16 C13 C14 112.2(4) . . ?
C16 C13 C14A 74.4(5) . . ?
C14 C13 C14A 132.6(4) . . ?
C16 C13 C5 114.2(3) . . ?
C14 C13 C5 110.8(3) . . ?
C14A C13 C5 107.6(3) . . ?
C14A C13 C16A 110.4(5) . . ?
C5 C13 C16A 108.8(3) . . ?
C16 C13 C15A 127.8(4) . . ?
C14A C13 C15A 109.9(5) . . ?
C5 C13 C15A 113.4(3) . . ?
C16A C13 C15A 106.8(5) . . ?
C16 C13 C15 107.0(4) . . ?
C14 C13 C15 106.7(4) . . ?
C5 C13 C15 105.3(3) . . ?
C16A C13 C15 138.6(4) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
C13 C14A H14D 109.5 . . ?
C13 C14A H14E 109.5 . . ?
H14D C14A H14E 109.5 . . ?
C13 C14A H14F 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C13 C15A H15D 109.5 . . ?
C13 C15A H15E 109.5 . . ?
H15D C15A H15E 109.5 . . ?
C13 C15A H15F 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C13 C16A H16D 109.5 . . ?
C13 C16A H16E 109.5 . . ?
H16D C16A H16E 109.5 . . ?
C13 C16A H16F 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C17 S3 C3 104.81(11) . . ?
C22 C17 C18 120.5(2) . . ?
C22 C17 S3 116.04(19) . . ?
C18 C17 S3 123.24(17) . . ?
C19 C18 C17 117.5(2) . . ?
C19 C18 S4 120.84(18) . . ?
C17 C18 S4 121.65(19) . . ?
C20 C19 C18 120.8(2) . . ?
C20 C19 S5 116.02(19) . . ?
C18 C19 S5 122.96(17) . . ?
C21 C20 C19 122.0(2) . . ?
C21 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C20 C21 C22 117.3(2) . . ?
C20 C21 C29 121.0(2) . . ?
C22 C21 C29 121.5(2) . . ?
C21 C22 C17 122.0(2) . . ?
C21 C22 H22 119.0 . . ?
C17 C22 H22 119.0 . . ?
C18 S4 C23 96.82(12) . . ?
C24 C23 S4 109.83(19) . . ?
C24 C23 H23A 109.7 . . ?
S4 C23 H23A 109.7 . . ?
C24 C23 H23B 109.7 . . ?
S4 C23 H23B 109.7 . . ?
H23A C23 H23B 108.2 . . ?
C25 C24 C28 118.4(2) . . ?
C25 C24 C23 118.8(3) . . ?
C28 C24 C23 122.8(3) . . ?
N2 C25 C24 123.3(3) . . ?
N2 C25 H25 118.3 . . ?
C24 C25 H25 118.3 . . ?
C25 N2 C26 117.8(3) . . ?
C25 N2 Ag1 118.8(2) . 6_566 ?
C26 N2 Ag1 122.51(18) . 6_566 ?
N2 C26 C27 122.6(3) . . ?
N2 C26 H26 118.7 . . ?
C27 C26 H26 118.7 . . ?
C26 C27 C28 118.9(3) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 H27 120.6 . . ?
C24 C28 C27 119.0(3) . . ?
C24 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
C21 C29 C31 107.6(2) . . ?
C21 C29 C30 111.1(2) . . ?
C31 C29 C30 109.4(2) . . ?
C21 C29 C32 111.1(2) . . ?
C31 C29 C32 108.6(3) . . ?
C30 C29 C32 109.0(2) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C19 S5 C19 105.79(15) . 2 ?
O3 N3 O2 120.5(3) . . ?
O3 N3 O1 119.8(2) . . ?
O2 N3 O1 119.7(3) . . ?
Cl1 C33 Cl2 109.13(16) . . ?
Cl1 C33 Cl3 111.34(16) . . ?
Cl2 C33 Cl3 109.05(16) . . ?
Cl1 C33 H33 109.1 . . ?
Cl2 C33 H33 109.1 . . ?
Cl3 C33 H33 109.1 . . ?
O4 C34 H34A 109.5 . . ?
O4 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
O4 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C34 O4 H4A 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        30.11
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.023
_refine_diff_density_min         -0.675
_refine_diff_density_rms         0.132
_database_code_depnum_ccdc_archive 'CCDC 957507'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_e2240b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H34 Ag N2 S4, F6 Sb'
_chemical_formula_sum            'C32 H34 Ag F6 N2 S4 Sb'
_chemical_formula_weight         918.47

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'
N N 0.0061 0.0033 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Trigonal
_symmetry_space_group_name_H-M   P3(2)21
_symmetry_space_group_name_Hall  'P32 2"'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'y, x, -z'
'x-y, -y, -z+1/3'
'-x, -x+y, -z+2/3'

_cell_length_a                   23.1415(11)
_cell_length_b                   23.1415(11)
_cell_length_c                   15.1463(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     7024.6(5)
_cell_formula_units_Z            6
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5451
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      20.71

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2736
_exptl_absorpt_coefficient_mu    1.217
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8984
_exptl_absorpt_correction_T_max  0.9417
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
The crystal had a low diffracting power, this explains why
the Ratio of Observed / Unique Reflections is too low (48 percent)
and consequently the R value is 10.
Because of the disorder on SBF6 and on the tert-butyl groups,
we constrained many distances and angles.
We used the command TwinRotMat in Platon but no twin law 
was detected.
We explored other options but the systematic extinctions present
leave no doubt about the group.
And we didn't use the squeeze command but we didn't see any solvents
in the cavities
;

_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_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            43790
_diffrn_reflns_av_R_equivalents  0.1230
_diffrn_reflns_av_sigmaI/netI    0.1621
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         27.02
_reflns_number_total             10045
_reflns_number_gt                4758
_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, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ 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/[\s^2^(Fo^2^)+(0.1000P)^2^+0.1463P] where P=(Fo^2^+2Fc^2^)/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   0.03(8)
_refine_ls_number_reflns         10045
_refine_ls_number_parameters     386
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.1821
_refine_ls_R_factor_gt           0.10947
_refine_ls_wR_factor_ref         0.2995
_refine_ls_wR_factor_gt          0.2534
_refine_ls_goodness_of_fit_ref   1.186
_refine_ls_restrained_S_all      0.023
_refine_ls_shift/su_max          0.062
_refine_ls_shift/su_mean         0.035

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 0.04915(9) 0.54333(6) 0.16442(8) 0.0556(4) Uani 1 1 d . . 1
S1 S 0.17439(19) 0.5207(2) -0.2899(3) 0.0416(10) Uani 1 1 d . . 1
C1 C 0.1463(7) 0.5433(8) -0.1958(9) 0.038(4) Uani 1 1 d . A 1
C2 C 0.1313(7) 0.5028(8) -0.1165(11) 0.040(4) Uani 1 1 d . A 1
C3 C 0.1107(7) 0.5260(8) -0.0393(9) 0.035(3) Uani 1 1 d . A 1
C4 C 0.1125(7) 0.5874(9) -0.0466(14) 0.054(5) Uani 1 1 d . A 1
H4 H 0.0982 0.6026 0.0025 0.065 Uiso 1 1 calc R A 1
C5 C 0.1328(8) 0.6249(8) -0.1180(9) 0.039(4) Uani 1 1 d . A 1
C6 C 0.1473(7) 0.6021(7) -0.1925(11) 0.040(4) Uani 1 1 d . A 1
H6 H 0.1586 0.6286 -0.2444 0.048 Uiso 1 1 calc R A 1
S2 S 0.1357(2) 0.4299(2) -0.1151(3) 0.0440(10) Uani 1 1 d . A 1
C7 C 0.2112(8) 0.4628(9) -0.0471(11) 0.045 Uani 1 1 d . A 1
H7A H 0.2404 0.5114 -0.0562 0.054 Uiso 1 1 calc R A 1
H7B H 0.1999 0.4542 0.0164 0.054 Uiso 1 1 calc R A 1
C8 C 0.2459(5) 0.4224(6) -0.0818(8) 0.050(4) Uani 1 1 d G A 1
C9 C 0.3115(5) 0.4622(4) -0.1099(8) 0.051(5) Uani 1 1 d G A 1
H9 H 0.3309 0.5093 -0.1111 0.061 Uiso 1 1 calc R A 1
N1 N 0.3485(4) 0.4329(5) -0.1363(7) 0.047(4) Uani 1 1 d G A 1
C10 C 0.3201(6) 0.3639(5) -0.1345(9) 0.075(6) Uani 1 1 d G A 1
H10 H 0.3454 0.3440 -0.1525 0.090 Uiso 1 1 calc R A 1
C11 C 0.2545(6) 0.3242(4) -0.1064(10) 0.073(6) Uani 1 1 d G A 1
H11 H 0.2351 0.2770 -0.1052 0.088 Uiso 1 1 calc R A 1
C12 C 0.2175(4) 0.3534(6) -0.0801(9) 0.073(6) Uani 1 1 d G A 1
H12 H 0.1727 0.3262 -0.0609 0.088 Uiso 1 1 calc R A 1
C13 C 0.1342(10) 0.6958(7) -0.1187(10) 0.046(4) Uani 1 1 d . A 1
C14 C 0.0881(13) 0.6935(12) -0.1963(15) 0.077(4) Uani 1 1 d . A 1
H14A H 0.1065 0.6892 -0.2526 0.115 Uiso 1 1 calc R A 1
H14B H 0.0859 0.7346 -0.1965 0.115 Uiso 1 1 calc R A 1
H14C H 0.0432 0.6551 -0.1884 0.115 Uiso 1 1 calc R A 1
C15 C 0.2102(13) 0.7523(12) -0.1403(15) 0.077(4) Uani 1 1 d . A 1
H15A H 0.2389 0.7567 -0.0903 0.115 Uiso 1 1 calc R A 1
H15B H 0.2123 0.7951 -0.1507 0.115 Uiso 1 1 calc R A 1
H15C H 0.2256 0.7395 -0.1932 0.115 Uiso 1 1 calc R A 1
C16 C 0.0971(13) 0.7032(12) -0.0363(15) 0.077(4) Uani 1 1 d . A 1
H16A H 0.0807 0.7338 -0.0506 0.115 Uiso 1 1 calc R A 1
H16B H 0.1281 0.7210 0.0136 0.115 Uiso 1 1 calc R A 1
H16C H 0.0594 0.6594 -0.0206 0.115 Uiso 1 1 calc R A 1
S3 S 0.09397(18) 0.4838(2) 0.0612(2) 0.0359(8) Uani 1 1 d . A 1
C17 C 0.0159(8) 0.4103(8) 0.0411(8) 0.033(3) Uani 1 1 d . A 1
C18 C -0.0406(8) 0.4129(8) 0.0273(9) 0.034(3) Uani 1 1 d . A 1
C19 C -0.0984(6) 0.3511(8) -0.0044(9) 0.030(3) Uani 1 1 d . . 1
C20 C -0.0964(7) 0.2933(7) -0.0017(10) 0.033(3) Uani 1 1 d . A 1
H20 H -0.1365 0.2532 -0.0153 0.040 Uiso 1 1 calc R A 1
C21 C -0.0402(8) 0.2879(8) 0.0196(11) 0.041(4) Uani 1 1 d . A 1
C22 C 0.0173(7) 0.3522(8) 0.0427(12) 0.047(5) Uani 1 1 d . A 1
H22 H 0.0575 0.3536 0.0597 0.057 Uiso 1 1 calc RD A 1
S4 S -0.0508(2) 0.4819(2) 0.0520(2) 0.0422(9) Uani 1 1 d . A 1
C23 C -0.1164(8) 0.4471(9) 0.1363(10) 0.040(4) Uani 1 1 d . A 1
H23A H -0.1273 0.4822 0.1513 0.048 Uiso 1 1 calc R A 1
H23B H -0.1566 0.4102 0.1083 0.048 Uiso 1 1 calc R A 1
C24 C -0.1063(9) 0.4222(11) 0.2174(11) 0.055(5) Uani 1 1 d . A 1
C25 C -0.0833(8) 0.4601(9) 0.2926(11) 0.043(4) Uani 1 1 d . A 1
H25 H -0.0745 0.5048 0.2909 0.052 Uiso 1 1 calc R A 1
N2 N -0.0726(10) 0.4368(10) 0.3691(9) 0.071(5) Uani 1 1 d . . 1
C26 C -0.0754(11) 0.3734(10) 0.3714(12) 0.060(6) Uani 1 1 d . A 1
H26 H -0.0649 0.3579 0.4237 0.072 Uiso 1 1 calc R A 1
C27 C -0.0939(13) 0.3354(10) 0.2944(12) 0.074(7) Uani 1 1 d . A 1
H27 H -0.0958 0.2935 0.2951 0.089 Uiso 1 1 calc R A 1
C28 C -0.1097(9) 0.3559(9) 0.2175(10) 0.051(4) Uani 1 1 d . A 1
H28 H -0.1223 0.3288 0.1661 0.061 Uiso 1 1 calc R A 1
C29 C -0.0382(8) 0.2233(8) 0.0211(12) 0.059(5) Uani 1 1 d D A 1
C30 C 0.0323(10) 0.2356(14) -0.005(2) 0.073(6) Uani 0.65(3) 1 d PD A 2
H30A H 0.0294 0.1930 -0.0192 0.110 Uiso 0.65(3) 1 calc PR A 2
H30B H 0.0630 0.2563 0.0451 0.110 Uiso 0.65(3) 1 calc PR A 2
H30C H 0.0489 0.2653 -0.0560 0.110 Uiso 0.65(3) 1 calc PR A 2
C31 C -0.0889(15) 0.1729(14) -0.045(2) 0.073(6) Uani 0.65(3) 1 d PD A 2
H31A H -0.0678 0.1523 -0.0790 0.110 Uiso 0.65(3) 1 calc PR A 2
H31B H -0.1036 0.1960 -0.0856 0.110 Uiso 0.65(3) 1 calc PR A 2
H31C H -0.1275 0.1382 -0.0131 0.110 Uiso 0.65(3) 1 calc PR A 2
C32 C -0.0574(17) 0.1962(15) 0.1160(14) 0.073(6) Uani 0.65(3) 1 d PD A 2
H32A H -0.1003 0.1923 0.1315 0.110 Uiso 0.65(3) 1 calc PR A 2
H32B H -0.0229 0.2268 0.1571 0.110 Uiso 0.65(3) 1 calc PR A 2
H32C H -0.0611 0.1521 0.1196 0.110 Uiso 0.65(3) 1 calc PR A 2
Sb1 Sb 0.83875(9) 0.60898(11) 0.12287(10) 0.0827(6) Uani 1 1 d D . .
F1 F 0.8264(13) 0.5446(11) 0.2163(13) 0.0827(6) Uani 0.50 1 d PD B .
F2 F 0.8491(12) 0.6677(10) 0.0301(12) 0.0827(6) Uani 0.50 1 d PD B .
F3 F 0.7845(11) 0.5320(9) 0.0481(14) 0.0827(6) Uani 0.50 1 d PD B .
F4 F 0.8899(10) 0.6806(9) 0.2024(13) 0.0827(6) Uani 0.50 1 d PD B .
F5 F 0.7596(8) 0.6072(12) 0.1636(14) 0.0827(6) Uani 0.50 1 d PD B .
F6 F 0.9177(7) 0.6079(11) 0.0865(13) 0.0827(6) Uani 0.50 1 d PD B .
C30A C -0.051(3) 0.194(3) -0.0721(18) 0.073(6) Uani 0.35(3) 1 d PD A 1
H30D H -0.0458 0.1550 -0.0731 0.110 Uiso 0.35(3) 1 calc PR A 1
H30E H -0.0193 0.2280 -0.1131 0.110 Uiso 0.35(3) 1 calc PR A 1
H30F H -0.0967 0.1817 -0.0900 0.110 Uiso 0.35(3) 1 calc PR A 1
C31A C 0.0358(14) 0.246(3) 0.048(4) 0.073(6) Uani 0.35(3) 1 d PD A 1
H31D H 0.0449 0.2096 0.0373 0.110 Uiso 0.35(3) 1 calc PR A 1
H31E H 0.0421 0.2577 0.1111 0.110 Uiso 0.35(3) 1 calc PR A 1
H31F H 0.0665 0.2851 0.0132 0.110 Uiso 0.35(3) 1 calc PRD A 1
C32A C -0.084(2) 0.169(2) 0.090(3) 0.073(6) Uani 0.35(3) 1 d PD A 1
H32D H -0.0722 0.1881 0.1493 0.110 Uiso 0.35(3) 1 calc PR A 1
H32E H -0.0782 0.1305 0.0849 0.110 Uiso 0.35(3) 1 calc PR A 1
H32F H -0.1308 0.1559 0.0777 0.110 Uiso 0.35(3) 1 calc PR A 1
F1A F 0.8558(16) 0.5635(15) 0.2185(15) 0.0827(6) Uani 0.50 1 d PD B 1
F2A F 0.8224(15) 0.6515(13) 0.0264(14) 0.0827(6) Uani 0.50 1 d PD B 1
F3A F 0.8020(14) 0.5266(9) 0.0549(17) 0.0827(6) Uani 0.50 1 d PD B 1
F4A F 0.8714(14) 0.6864(10) 0.1956(16) 0.0827(6) Uani 0.50 1 d PD B 1
F5A F 0.7499(9) 0.5786(16) 0.168(2) 0.0827(6) Uani 0.50 1 d PD B 1
F6A F 0.9256(8) 0.6365(13) 0.0769(17) 0.0827(6) Uani 0.50 1 d PD B 1

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0865(11) 0.0444(7) 0.0231(6) -0.0016(5) 0.0005(6) 0.0231(8)
S1 0.035(2) 0.049(2) 0.028(2) -0.0009(17) 0.0040(16) 0.0108(18)
C1 0.028(8) 0.046(9) 0.016(7) 0.003(6) 0.002(6) 0.001(7)
C2 0.031(8) 0.041(9) 0.046(9) -0.006(7) -0.012(7) 0.018(7)
C3 0.027(8) 0.041(9) 0.021(7) -0.002(6) 0.004(6) 0.004(6)
C4 0.024(8) 0.051(11) 0.074(13) -0.043(10) -0.001(8) 0.009(8)
C5 0.049(9) 0.038(9) 0.013(7) -0.002(6) 0.000(7) 0.010(7)
C6 0.026(7) 0.018(7) 0.048(10) 0.009(7) -0.002(7) -0.011(6)
S2 0.045(2) 0.050(2) 0.035(2) 0.0040(18) -0.0009(17) 0.023(2)
C7 0.046 0.052 0.035 0.003 0.000 0.024
C8 0.045(10) 0.060(12) 0.055(11) 0.004(9) -0.005(8) 0.033(10)
C9 0.038(9) 0.060(11) 0.055(11) -0.013(9) -0.015(8) 0.024(9)
N1 0.038(7) 0.054(9) 0.038(8) -0.005(6) 0.006(6) 0.015(7)
C10 0.109(19) 0.072(15) 0.064(14) -0.005(12) -0.010(13) 0.060(15)
C11 0.052(12) 0.042(11) 0.13(2) -0.011(12) 0.016(12) 0.030(10)
C12 0.052(12) 0.042(11) 0.13(2) -0.011(12) 0.016(12) 0.030(10)
C13 0.069(12) 0.036(8) 0.026(8) 0.007(6) 0.004(8) 0.020(9)
C14 0.097(10) 0.077(9) 0.057(8) 0.014(7) -0.002(7) 0.044(8)
C15 0.097(10) 0.077(9) 0.057(8) 0.014(7) -0.002(7) 0.044(8)
C16 0.097(10) 0.077(9) 0.057(8) 0.014(7) -0.002(7) 0.044(8)
S3 0.0317(19) 0.040(2) 0.0239(18) 0.0032(16) -0.0014(15) 0.0094(17)
C17 0.040(8) 0.050(10) 0.006(6) -0.004(6) -0.001(5) 0.021(7)
C18 0.053(9) 0.037(8) 0.013(7) 0.001(6) -0.003(6) 0.024(7)
C19 0.019(7) 0.049(9) 0.019(7) 0.004(6) 0.000(5) 0.015(6)
C20 0.033(8) 0.018(7) 0.035(8) 0.011(6) 0.002(6) 0.004(6)
C21 0.042(9) 0.048(10) 0.036(9) 0.006(7) -0.002(7) 0.024(8)
C22 0.020(7) 0.043(10) 0.059(11) 0.029(8) 0.007(7) 0.000(7)
S4 0.064(3) 0.050(2) 0.0251(18) -0.0008(17) -0.0070(18) 0.038(2)
C23 0.039(9) 0.058(10) 0.033(9) -0.001(7) -0.010(7) 0.032(8)
C24 0.055(11) 0.094(15) 0.025(9) -0.011(9) 0.016(7) 0.045(11)
C25 0.055(10) 0.056(10) 0.047(10) 0.018(8) 0.020(8) 0.051(9)
N2 0.091(13) 0.103(14) 0.011(7) -0.004(7) 0.003(7) 0.042(11)
C26 0.096(15) 0.060(12) 0.036(10) 0.030(9) 0.037(10) 0.048(12)
C27 0.110(18) 0.051(12) 0.032(10) 0.021(9) 0.003(10) 0.018(12)
C28 0.063(11) 0.050(10) 0.027(8) 0.006(7) -0.006(8) 0.020(9)
C29 0.042(10) 0.043(10) 0.103(16) 0.010(10) 0.015(10) 0.030(9)
C30 0.092(15) 0.031(9) 0.100(15) -0.015(9) -0.009(12) 0.033(9)
C31 0.092(15) 0.031(9) 0.100(15) -0.015(9) -0.009(12) 0.033(9)
C32 0.092(15) 0.031(9) 0.100(15) -0.015(9) -0.009(12) 0.033(9)
Sb1 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F1 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F2 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F3 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F4 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F5 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F6 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F1A 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F2A 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F3A 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F4A 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F5A 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
F6A 0.0833(11) 0.1362(16) 0.0580(9) -0.0075(9) -0.0030(8) 0.0768(11)
C30A 0.092(15) 0.031(9) 0.100(15) -0.015(9) -0.009(12) 0.033(9)
C31A 0.092(15) 0.031(9) 0.100(15) -0.015(9) -0.009(12) 0.033(9)
C32A 0.092(15) 0.031(9) 0.100(15) -0.015(9) -0.009(12) 0.033(9)

_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 N2 2.324(15) 6 ?
Ag1 S3 2.617(4) . ?
Ag1 S4 2.642(4) . ?
S1 C1 1.752(16) . ?
S1 C19 1.806(13) 6_554 ?
C1 C6 1.35(2) . ?
C1 C2 1.45(2) . ?
C2 C3 1.46(2) . ?
C2 S2 1.741(17) . ?
C3 C4 1.41(3) . ?
C3 S3 1.744(15) . ?
C4 C5 1.32(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.36(2) . ?
C5 C13 1.62(2) . ?
C6 H6 0.9500 . ?
S2 C7 1.834(17) . ?
C7 C8 1.598(19) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.3900 . ?
C8 C12 1.3900 . ?
C9 N1 1.3900 . ?
C9 H9 0.9500 . ?
N1 C10 1.3900 . ?
N1 Ag1 2.265(8) 2_664 ?
C10 C11 1.3900 . ?
C10 H10 0.9500 . ?
C11 C12 1.3900 . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C16 1.57(3) . ?
C13 C14 1.57(3) . ?
C13 C15 1.62(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
S3 C17 1.782(16) . ?
C17 C18 1.35(2) . ?
C17 C22 1.36(2) . ?
C18 C19 1.47(2) . ?
C18 S4 1.766(16) . ?
C19 C20 1.36(2) . ?
C19 S1 1.806(13) 6_554 ?
C20 C21 1.41(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.46(2) . ?
C21 C29 1.52(2) . ?
C22 H22 0.9500 . ?
S4 C23 1.833(17) . ?
C23 C24 1.42(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.37(3) . ?
C24 C28 1.50(3) . ?
C25 N2 1.35(2) . ?
C25 H25 0.9500 . ?
N2 C26 1.44(3) . ?
N2 Ag1 2.325(15) 6 ?
C26 C27 1.39(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.37(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30A 1.527(18) . ?
C29 C31 1.541(16) . ?
C29 C32 1.542(17) . ?
C29 C30 1.560(16) . ?
C29 C32A 1.560(18) . ?
C29 C31A 1.574(18) . ?
Sb1 F2 1.885(12) . ?
Sb1 F2A 1.903(13) . ?
Sb1 F4A 1.908(13) . ?
Sb1 F4 1.908(12) . ?
Sb1 F6A 1.910(13) . ?
Sb1 F5 1.912(12) . ?
Sb1 F6 1.919(12) . ?
Sb1 F5A 1.935(14) . ?
Sb1 F1A 1.944(13) . ?
Sb1 F3 1.948(12) . ?
Sb1 F3A 1.949(13) . ?
Sb1 F1 1.969(12) . ?
F1 F1A 0.60(4) . ?
F2 F2A 0.54(4) . ?
F4 F4A 0.52(4) . ?
F5 F5A 0.59(4) . ?
F6 F6A 0.61(3) . ?


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
N1 Ag1 N2 99.7(16) 3_565 6 ?
N1 Ag1 S3 133.9(19) 3_565 . ?
N2 Ag1 S3 96.9(5) 6 . ?
N1 Ag1 S4 118.0(8) 3_565 . ?
N2 Ag1 S4 131.8(5) 6 . ?
S3 Ag1 S4 78.58(11) . . ?
C1 S1 C19 101.6(7) . 6_554 ?
C6 C1 C2 119.9(14) . . ?
C6 C1 S1 120.6(12) . . ?
C2 C1 S1 118.9(13) . . ?
C1 C2 C3 116.1(14) . . ?
C1 C2 S2 121.6(13) . . ?
C3 C2 S2 122.3(12) . . ?
C4 C3 C2 117.3(14) . . ?
C4 C3 S3 121.4(12) . . ?
C2 C3 S3 120.9(13) . . ?
C5 C4 C3 123.5(15) . . ?
C5 C4 H4 118.2 . . ?
C3 C4 H4 118.3 . . ?
C4 C5 C6 120.1(16) . . ?
C4 C5 C13 119.4(14) . . ?
C6 C5 C13 120.2(13) . . ?
C1 C6 C5 122.7(14) . . ?
C1 C6 H6 118.7 . . ?
C5 C6 H6 118.7 . . ?
C2 S2 C7 96.2(8) . . ?
C8 C7 S2 103.0(10) . . ?
C8 C7 H7A 111.2 . . ?
S2 C7 H7A 111.2 . . ?
C8 C7 H7B 111.2 . . ?
S2 C7 H7B 111.1 . . ?
H7A C7 H7B 109.1 . . ?
C9 C8 C12 120.0 . . ?
C9 C8 C7 114.5(10) . . ?
C12 C8 C7 125.3(10) . . ?
N1 C9 C8 120.0 . . ?
N1 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 N1 C9 120.0 . . ?
C10 N1 Ag1 124.9(6) . 2_664 ?
C9 N1 Ag1 114.9(6) . 2_664 ?
N1 C10 C11 120.0 . . ?
N1 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C8 120.0 . . ?
C11 C12 H12 120.0 . . ?
C8 C12 H12 120.0 . . ?
C16 C13 C14 101.5(17) . . ?
C16 C13 C15 120.4(16) . . ?
C14 C13 C15 108.8(15) . . ?
C16 C13 C5 111.6(13) . . ?
C14 C13 C5 107.4(14) . . ?
C15 C13 C5 106.4(16) . . ?
C3 S3 C17 102.8(6) . . ?
C3 S3 Ag1 105.2(6) . . ?
C17 S3 Ag1 97.2(5) . . ?
C18 C17 C22 123.2(16) . . ?
C18 C17 S3 121.6(13) . . ?
C22 C17 S3 115.2(11) . . ?
C17 C18 C19 115.9(14) . . ?
C17 C18 S4 125.2(13) . . ?
C19 C18 S4 118.8(11) . . ?
C20 C19 C18 119.1(12) . . ?
C20 C19 S1 117.4(11) . 6_554 ?
C18 C19 S1 123.5(11) . 6_554 ?
C19 C20 C21 125.6(14) . . ?
C19 C20 H20 117.2 . . ?
C21 C20 H20 117.2 . . ?
C20 C21 C22 112.2(15) . . ?
C20 C21 C29 125.2(15) . . ?
C22 C21 C29 122.6(15) . . ?
C17 C22 C21 122.8(15) . . ?
C17 C22 H22 118.6 . . ?
C21 C22 H22 118.6 . . ?
C18 S4 C23 101.9(8) . . ?
C18 S4 Ag1 98.4(5) . . ?
C23 S4 Ag1 95.6(5) . . ?
C24 C23 S4 120.8(12) . . ?
C24 C23 H23A 107.1 . . ?
S4 C23 H23A 107.1 . . ?
C24 C23 H23B 107.1 . . ?
S4 C23 H23B 107.1 . . ?
H23A C23 H23B 106.8 . . ?
C25 C24 C23 123.1(18) . . ?
C25 C24 C28 117.3(16) . . ?
C23 C24 C28 118.7(15) . . ?
N2 C25 C24 123.1(17) . . ?
N2 C25 H25 118.4 . . ?
C24 C25 H25 118.4 . . ?
C25 N2 C26 120.2(16) . . ?
C25 N2 Ag1 123.6(14) . 6 ?
C26 N2 Ag1 116.2(12) . 6 ?
C27 C26 N2 117.8(17) . . ?
C27 C26 H26 121.1 . . ?
N2 C26 H26 121.1 . . ?
C28 C27 C26 123(2) . . ?
C28 C27 H27 118.5 . . ?
C26 C27 H27 118.5 . . ?
C27 C28 C24 117.9(17) . . ?
C27 C28 H28 121.0 . . ?
C24 C28 H28 121.1 . . ?
C21 C29 C30A 109(2) . . ?
C21 C29 C31 110.5(16) . . ?
C21 C29 C32 105.7(16) . . ?
C30A C29 C32 137(2) . . ?
C31 C29 C32 110.1(13) . . ?
C21 C29 C30 111.1(16) . . ?
C31 C29 C30 107.8(13) . . ?
C32 C29 C30 111.6(14) . . ?
C21 C29 C32A 117(2) . . ?
C30A C29 C32A 111.1(16) . . ?
C30 C29 C32A 123(3) . . ?
C21 C29 C31A 104(2) . . ?
C30A C29 C31A 109.3(16) . . ?
C31 C29 C31A 135(2) . . ?
C32A C29 C31A 106.6(16) . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
H32A C32 H32B 109.4 . . ?
H32A C32 H32C 109.3 . . ?
H32B C32 H32C 109.3 . . ?
F2 Sb1 F2A 16.4(12) . . ?
F2 Sb1 F4A 84.6(13) . . ?
F2A Sb1 F4A 92.6(8) . . ?
F2 Sb1 F4 92.6(8) . . ?
F2A Sb1 F4 103.5(12) . . ?
F4A Sb1 F4 15.6(11) . . ?
F2 Sb1 F6A 75.8(11) . . ?
F2A Sb1 F6A 89.7(8) . . ?
F4A Sb1 F6A 92.4(8) . . ?
F4 Sb1 F6A 81.3(11) . . ?
F2 Sb1 F5 91.8(7) . . ?
F2A Sb1 F5 79.8(11) . . ?
F4A Sb1 F5 76.1(12) . . ?
F4 Sb1 F5 89.2(7) . . ?
F6A Sb1 F5 163.9(10) . . ?
F2 Sb1 F6 90.9(7) . . ?
F2A Sb1 F6 102.8(11) . . ?
F4A Sb1 F6 104.2(11) . . ?
F4 Sb1 F6 90.7(7) . . ?
F5 Sb1 F6 177.3(8) . . ?
F2 Sb1 F5A 104.8(12) . . ?
F2A Sb1 F5A 90.6(8) . . ?
F4A Sb1 F5A 89.2(8) . . ?
F4 Sb1 F5A 100.2(12) . . ?
F6A Sb1 F5A 178.4(10) . . ?
F6 Sb1 F5A 160.3(11) . . ?
F2 Sb1 F1A 163.6(12) . . ?
F2A Sb1 F1A 178.0(10) . . ?
F4A Sb1 F1A 89.2(8) . . ?
F4 Sb1 F1A 78.1(13) . . ?
F6A Sb1 F1A 89.3(8) . . ?
F5 Sb1 F1A 101.5(12) . . ?
F6 Sb1 F1A 75.8(11) . . ?
F5A Sb1 F1A 90.3(8) . . ?
F2 Sb1 F3 91.0(8) . . ?
F2A Sb1 F3 79.8(13) . . ?
F4A Sb1 F3 165.0(12) . . ?
F4 Sb1 F3 176.3(9) . . ?
F6A Sb1 F3 100.5(11) . . ?
F5 Sb1 F3 89.7(7) . . ?
F6 Sb1 F3 90.2(7) . . ?
F2 Sb1 F3A 98.5(13) . . ?
F2A Sb1 F3A 89.9(8) . . ?
F4A Sb1 F3A 176.3(10) . . ?
F6A Sb1 F3A 90.3(8) . . ?
F5A Sb1 F3A 88.1(8) . . ?
F1A Sb1 F3A 88.3(8) . . ?
F2 Sb1 F1 177.7(9) . . ?
F4 Sb1 F1 89.7(8) . . ?
F5 Sb1 F1 88.6(7) . . ?
F6 Sb1 F1 88.6(7) . . ?
F3 Sb1 F1 86.7(7) . . ?
F1A F1 Sb1 78.9(18) . . ?
F2A F2 Sb1 84(2) . . ?
F4A F4 Sb1 82(2) . . ?
F5A F5 Sb1 83(2) . . ?
F6A F6 Sb1 80.0(18) . . ?


_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        27.02
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.618
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.292
_database_code_depnum_ccdc_archive 'CCDC 957508'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_e2488a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C64 H68 Ag N4 S8, B F4'
_chemical_formula_sum            'C64 H68 Ag B F4 N4 S8'
_chemical_formula_weight         1344.38

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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   C2/c
_symmetry_space_group_name_Hall  '-C 2yc'

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'
'-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                   23.1441(10)
_cell_length_b                   14.5274(10)
_cell_length_c                   19.8691(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.167(4)
_cell_angle_gamma                90.00
_cell_volume                     6447.8(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9899
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      26.17

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2784
_exptl_absorpt_coefficient_mu    0.626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9458
_exptl_absorpt_correction_T_max  0.9634
_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_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            121323
_diffrn_reflns_av_R_equivalents  0.0684
_diffrn_reflns_av_sigmaI/netI    0.0445
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.67
_diffrn_reflns_theta_max         30.00
_reflns_number_total             8888
_reflns_number_gt                5983
_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, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0934P)^2^+20.4299P] where P=(Fo^2^+2Fc^2^)/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         8888
_refine_ls_number_parameters     399
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0899
_refine_ls_R_factor_gt           0.0544
_refine_ls_wR_factor_ref         0.1793
_refine_ls_wR_factor_gt          0.1546
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.000
_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 0.0000 -0.33498(3) 0.2500 0.04590(15) Uani 1 2 d S . .
S1 S 0.18091(3) 0.15565(6) 0.31205(4) 0.02559(18) Uani 1 1 d . . .
C1 C 0.13470(13) 0.2043(2) 0.36175(15) 0.0225(6) Uani 1 1 d . . .
C2 C 0.08480(13) 0.1608(2) 0.37539(15) 0.0218(6) Uani 1 1 d . . .
C3 C 0.05309(12) 0.2104(2) 0.41417(15) 0.0224(6) Uani 1 1 d . . .
C4 C 0.07211(13) 0.2968(2) 0.44164(15) 0.0234(6) Uani 1 1 d . . .
H4 H 0.0489 0.3292 0.4669 0.028 Uiso 1 1 calc R . .
C5 C 0.12412(13) 0.3366(2) 0.43286(15) 0.0226(6) Uani 1 1 d . . .
C6 C 0.15404(13) 0.2892(2) 0.39128(15) 0.0243(6) Uani 1 1 d . . .
H6 H 0.1889 0.3159 0.3828 0.029 Uiso 1 1 calc R . .
S2 S 0.06134(3) 0.04808(6) 0.34777(4) 0.02951(19) Uani 1 1 d . . .
C7 C 0.12845(15) -0.0199(2) 0.38621(19) 0.0324(7) Uani 1 1 d . . .
H7A H 0.1558 -0.0194 0.3553 0.039 Uiso 1 1 calc R . .
H7B H 0.1500 0.0059 0.4320 0.039 Uiso 1 1 calc R . .
C8 C 0.10794(15) -0.1162(2) 0.39462(18) 0.0301(7) Uani 1 1 d . . .
C9 C 0.07522(17) -0.1653(2) 0.33819(19) 0.0335(7) Uani 1 1 d . . .
H9 H 0.0660 -0.1364 0.2938 0.040 Uiso 1 1 calc R . .
N1 N 0.05561(15) -0.2512(2) 0.34220(18) 0.0400(7) Uani 1 1 d . . .
C10 C 0.0702(2) -0.2910(3) 0.4044(2) 0.0464(10) Uani 1 1 d . . .
H10 H 0.0565 -0.3520 0.4081 0.056 Uiso 1 1 calc R . .
C11 C 0.1036(2) -0.2498(3) 0.4631(2) 0.0512(11) Uani 1 1 d . . .
H11 H 0.1137 -0.2817 0.5063 0.061 Uiso 1 1 calc R . .
C12 C 0.12250(19) -0.1601(3) 0.4584(2) 0.0420(9) Uani 1 1 d . . .
H12 H 0.1453 -0.1290 0.4988 0.050 Uiso 1 1 calc R . .
C13 C 0.14825(14) 0.4280(2) 0.46661(16) 0.0276(7) Uani 1 1 d . . .
C14 C 0.10373(17) 0.4755(3) 0.5010(2) 0.0372(8) Uani 1 1 d . . .
H14A H 0.0650 0.4824 0.4666 0.056 Uiso 1 1 calc R . .
H14B H 0.1191 0.5363 0.5181 0.056 Uiso 1 1 calc R . .
H14C H 0.0987 0.4380 0.5401 0.056 Uiso 1 1 calc R . .
C15 C 0.1608(2) 0.4938(3) 0.4113(2) 0.0439(9) Uani 1 1 d . . .
H15A H 0.1898 0.4655 0.3894 0.066 Uiso 1 1 calc R . .
H15B H 0.1771 0.5518 0.4336 0.066 Uiso 1 1 calc R . .
H15C H 0.1234 0.5061 0.3756 0.066 Uiso 1 1 calc R . .
C16 C 0.20625(17) 0.4099(3) 0.5238(2) 0.0436(9) Uani 1 1 d . . .
H16A H 0.1972 0.3725 0.5608 0.065 Uiso 1 1 calc R . .
H16B H 0.2237 0.4687 0.5433 0.065 Uiso 1 1 calc R . .
H16C H 0.2348 0.3771 0.5038 0.065 Uiso 1 1 calc R . .
S3 S -0.00633(3) 0.16429(6) 0.44531(4) 0.02513(18) Uani 1 1 d . . .
C17 C -0.06017(13) 0.1123(2) 0.37565(15) 0.0231(6) Uani 1 1 d . . .
C18 C -0.08899(13) 0.1568(2) 0.31277(15) 0.0224(6) Uani 1 1 d . . .
C19 C -0.13404(13) 0.1077(2) 0.26536(15) 0.0226(6) Uani 1 1 d . . .
C20 C -0.15102(13) 0.0201(2) 0.28171(15) 0.0236(6) Uani 1 1 d . . .
H20 H -0.1820 -0.0113 0.2489 0.028 Uiso 1 1 calc R . .
C21 C -0.12384(13) -0.0226(2) 0.34466(15) 0.0230(6) Uani 1 1 d . . .
C22 C -0.07793(13) 0.0253(2) 0.39025(16) 0.0249(6) Uani 1 1 d . . .
H22 H -0.0579 -0.0028 0.4332 0.030 Uiso 1 1 calc R . .
S4 S -0.06941(4) 0.26832(6) 0.29084(4) 0.02812(19) Uani 1 1 d . . .
C23 C -0.08995(18) 0.3404(2) 0.35647(18) 0.0339(8) Uani 1 1 d . . .
H23A H -0.1249 0.3140 0.3696 0.041 Uiso 1 1 calc R . .
H23B H -0.0562 0.3448 0.3989 0.041 Uiso 1 1 calc R . .
C24 C -0.10500(15) 0.4338(2) 0.32421(16) 0.0287(7) Uani 1 1 d . . .
C25 C -0.06104(15) 0.4897(2) 0.31017(18) 0.0321(7) Uani 1 1 d . . .
H25 H -0.0210 0.4677 0.3227 0.039 Uiso 1 1 calc R . .
N2 N -0.07135(13) 0.5725(2) 0.28015(16) 0.0335(6) Uani 1 1 d . . .
C26 C -0.12780(16) 0.6027(2) 0.2628(2) 0.0362(8) Uani 1 1 d . . .
H26 H -0.1362 0.6610 0.2407 0.043 Uiso 1 1 calc R . .
C27 C -0.17428(17) 0.5527(3) 0.2758(2) 0.0419(9) Uani 1 1 d . . .
H27 H -0.2139 0.5766 0.2634 0.050 Uiso 1 1 calc R . .
C28 C -0.16273(16) 0.4674(3) 0.3070(2) 0.0371(8) Uani 1 1 d . . .
H28 H -0.1943 0.4322 0.3166 0.044 Uiso 1 1 calc R . .
C29 C -0.14169(14) -0.1191(2) 0.36375(16) 0.0275(7) Uani 1 1 d . . .
C30 C -0.08892(16) -0.1847(3) 0.36940(19) 0.0349(8) Uani 1 1 d . . .
H30A H -0.0982 -0.2444 0.3870 0.052 Uiso 1 1 calc R . .
H30B H -0.0530 -0.1588 0.4015 0.052 Uiso 1 1 calc R . .
H30C H -0.0818 -0.1928 0.3233 0.052 Uiso 1 1 calc R . .
C31 C -0.15707(17) -0.1134(3) 0.43441(19) 0.0364(8) Uani 1 1 d . . .
H31A H -0.1911 -0.0717 0.4305 0.055 Uiso 1 1 calc R . .
H31B H -0.1224 -0.0901 0.4699 0.055 Uiso 1 1 calc R . .
H31C H -0.1675 -0.1748 0.4479 0.055 Uiso 1 1 calc R . .
C32 C -0.19622(18) -0.1568(3) 0.3095(2) 0.0424(9) Uani 1 1 d . . .
H32A H -0.2077 -0.2163 0.3254 0.064 Uiso 1 1 calc R . .
H32B H -0.1862 -0.1649 0.2649 0.064 Uiso 1 1 calc R . .
H32C H -0.2296 -0.1134 0.3036 0.064 Uiso 1 1 calc R . .
B1 B 0.2507(3) 0.7493(10) 0.3927(6) 0.084(4) Uani 0.50 1 d P . .
F1 F 0.2706(3) 0.8290(5) 0.4114(3) 0.0749(19) Uani 0.50 1 d P . .
F2 F 0.2930(3) 0.7130(6) 0.3833(3) 0.086(2) Uani 0.50 1 d P . .
F3 F 0.1992(3) 0.7498(5) 0.3524(3) 0.084(2) Uani 0.50 1 d P . .
F4 F 0.2413(3) 0.7165(6) 0.4606(4) 0.092(2) Uani 0.50 1 d P . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0363(2) 0.0222(2) 0.0772(3) 0.000 0.0113(2) 0.000
S1 0.0198(3) 0.0271(5) 0.0278(4) -0.0094(3) 0.0027(3) -0.0016(3)
C1 0.0215(13) 0.0201(17) 0.0229(14) -0.0032(11) 0.0004(11) 0.0003(11)
C2 0.0227(13) 0.0155(16) 0.0244(14) -0.0017(11) 0.0010(11) -0.0011(11)
C3 0.0205(13) 0.0207(17) 0.0241(14) 0.0001(11) 0.0026(11) -0.0027(11)
C4 0.0243(14) 0.0199(17) 0.0239(14) -0.0040(11) 0.0025(11) -0.0009(11)
C5 0.0238(14) 0.0195(17) 0.0223(14) -0.0010(11) 0.0020(11) -0.0014(11)
C6 0.0248(14) 0.0199(17) 0.0267(14) -0.0039(11) 0.0041(11) -0.0053(11)
S2 0.0255(4) 0.0172(4) 0.0431(5) -0.0074(3) 0.0040(3) -0.0028(3)
C7 0.0317(16) 0.0226(19) 0.0395(18) -0.0019(14) 0.0035(14) -0.0005(13)
C8 0.0348(17) 0.0211(19) 0.0352(17) 0.0012(13) 0.0107(13) 0.0041(13)
C9 0.0438(19) 0.0209(19) 0.0363(18) 0.0016(13) 0.0113(15) -0.0006(14)
N1 0.0454(18) 0.0180(17) 0.058(2) 0.0006(13) 0.0161(15) -0.0023(12)
C10 0.056(2) 0.025(2) 0.064(3) 0.0110(18) 0.025(2) 0.0028(17)
C11 0.075(3) 0.039(3) 0.045(2) 0.0151(18) 0.026(2) 0.010(2)
C12 0.055(2) 0.036(2) 0.0364(19) 0.0018(15) 0.0147(17) 0.0057(17)
C13 0.0313(16) 0.0204(18) 0.0301(15) -0.0077(12) 0.0062(12) -0.0063(12)
C14 0.044(2) 0.025(2) 0.043(2) -0.0108(15) 0.0150(16) -0.0027(15)
C15 0.064(3) 0.021(2) 0.053(2) -0.0037(16) 0.024(2) -0.0117(17)
C16 0.0380(19) 0.040(2) 0.045(2) -0.0148(17) -0.0035(16) -0.0055(16)
S3 0.0242(4) 0.0263(5) 0.0235(3) -0.0013(3) 0.0039(3) -0.0063(3)
C17 0.0210(13) 0.0203(17) 0.0271(14) 0.0006(11) 0.0048(11) -0.0025(11)
C18 0.0235(14) 0.0168(16) 0.0268(14) 0.0030(11) 0.0060(11) -0.0021(11)
C19 0.0211(13) 0.0224(17) 0.0236(14) 0.0036(11) 0.0047(11) -0.0003(11)
C20 0.0211(13) 0.0197(17) 0.0280(15) 0.0022(11) 0.0025(11) -0.0043(11)
C21 0.0199(13) 0.0208(17) 0.0270(14) 0.0041(11) 0.0038(11) -0.0008(11)
C22 0.0246(14) 0.0230(17) 0.0252(14) 0.0048(12) 0.0033(11) -0.0011(12)
S4 0.0382(4) 0.0185(4) 0.0284(4) 0.0020(3) 0.0100(3) -0.0054(3)
C23 0.046(2) 0.024(2) 0.0318(17) -0.0004(13) 0.0105(15) -0.0021(14)
C24 0.0359(17) 0.0212(18) 0.0284(15) -0.0040(12) 0.0071(13) -0.0013(13)
C25 0.0270(15) 0.0253(19) 0.0410(18) 0.0029(14) 0.0035(13) 0.0005(13)
N2 0.0332(15) 0.0188(16) 0.0467(17) 0.0035(12) 0.0075(12) 0.0007(11)
C26 0.0392(19) 0.0192(19) 0.047(2) 0.0003(14) 0.0051(15) 0.0066(14)
C27 0.0303(17) 0.038(2) 0.055(2) 0.0020(17) 0.0074(16) 0.0077(15)
C28 0.0329(17) 0.035(2) 0.0428(19) -0.0012(15) 0.0096(15) -0.0042(15)
C29 0.0264(15) 0.0239(18) 0.0293(15) 0.0061(12) 0.0023(12) -0.0046(12)
C30 0.0407(19) 0.0227(19) 0.0388(19) 0.0022(14) 0.0061(15) 0.0016(14)
C31 0.0385(18) 0.030(2) 0.044(2) 0.0113(15) 0.0169(15) -0.0022(14)
C32 0.045(2) 0.028(2) 0.044(2) 0.0082(15) -0.0058(16) -0.0169(16)
B1 0.070(3) 0.106(10) 0.073(7) 0.028(7) 0.012(4) -0.039(4)
F1 0.060(3) 0.101(5) 0.063(3) 0.018(3) 0.014(3) -0.047(3)
F2 0.098(5) 0.106(6) 0.067(4) 0.011(4) 0.044(4) 0.007(4)
F3 0.064(4) 0.129(6) 0.054(3) -0.033(4) 0.007(3) -0.006(4)
F4 0.066(4) 0.140(7) 0.076(4) 0.029(4) 0.029(3) 0.011(4)

_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 N1 2.294(3) . ?
Ag1 N1 2.294(3) 2 ?
Ag1 N2 2.326(3) 2_545 ?
Ag1 N2 2.326(3) 1_545 ?
S1 C19 1.776(3) 2 ?
S1 C1 1.781(3) . ?
C1 C6 1.389(4) . ?
C1 C2 1.404(4) . ?
C2 C3 1.396(4) . ?
C2 S2 1.766(3) . ?
C3 C4 1.394(4) . ?
C3 S3 1.779(3) . ?
C4 C5 1.387(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(4) . ?
C5 C13 1.526(4) . ?
C6 H6 0.9500 . ?
S2 C7 1.830(3) . ?
C7 C8 1.501(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.376(5) . ?
C8 C12 1.379(5) . ?
C9 N1 1.338(5) . ?
C9 H9 0.9500 . ?
N1 C10 1.325(5) . ?
C10 C11 1.358(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(6) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C16 1.537(5) . ?
C13 C14 1.541(5) . ?
C13 C15 1.541(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
S3 C17 1.771(3) . ?
C17 C22 1.382(4) . ?
C17 C18 1.410(4) . ?
C18 C19 1.403(4) . ?
C18 S4 1.767(3) . ?
C19 C20 1.396(4) . ?
C19 S1 1.776(3) 2 ?
C20 C21 1.390(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.390(4) . ?
C21 C29 1.536(4) . ?
C22 H22 0.9500 . ?
S4 C23 1.830(4) . ?
C23 C24 1.502(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C28 1.379(5) . ?
C24 C25 1.386(5) . ?
C25 N2 1.336(4) . ?
C25 H25 0.9500 . ?
N2 C26 1.335(4) . ?
N2 Ag1 2.326(3) 1_565 ?
C26 C27 1.377(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.380(6) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.530(5) . ?
C29 C32 1.531(5) . ?
C29 C31 1.538(5) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
B1 F2 1.170(12) . ?
B1 F3 1.251(10) . ?
B1 F1 1.265(15) . ?
B1 F4 1.498(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
N1 Ag1 N1 115.89(16) . 2 ?
N1 Ag1 N2 102.98(11) . 2_545 ?
N1 Ag1 N2 112.88(11) 2 2_545 ?
N1 Ag1 N2 112.88(11) . 1_545 ?
N1 Ag1 N2 102.97(11) 2 1_545 ?
N2 Ag1 N2 109.42(15) 2_545 1_545 ?
C19 S1 C1 108.45(13) 2 . ?
C6 C1 C2 120.6(3) . . ?
C6 C1 S1 114.4(2) . . ?
C2 C1 S1 124.9(2) . . ?
C3 C2 C1 116.9(3) . . ?
C3 C2 S2 119.1(2) . . ?
C1 C2 S2 124.0(2) . . ?
C4 C3 C2 121.6(3) . . ?
C4 C3 S3 113.4(2) . . ?
C2 C3 S3 124.3(2) . . ?
C5 C4 C3 121.5(3) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 116.9(3) . . ?
C4 C5 C13 122.5(3) . . ?
C6 C5 C13 120.6(3) . . ?
C1 C6 C5 122.3(3) . . ?
C1 C6 H6 118.8 . . ?
C5 C6 H6 118.8 . . ?
C2 S2 C7 102.24(15) . . ?
C8 C7 S2 106.9(2) . . ?
C8 C7 H7A 110.3 . . ?
S2 C7 H7A 110.3 . . ?
C8 C7 H7B 110.3 . . ?
S2 C7 H7B 110.3 . . ?
H7A C7 H7B 108.6 . . ?
C9 C8 C12 117.4(3) . . ?
C9 C8 C7 121.0(3) . . ?
C12 C8 C7 121.6(3) . . ?
N1 C9 C8 123.9(3) . . ?
N1 C9 H9 118.1 . . ?
C8 C9 H9 118.1 . . ?
C10 N1 C9 117.1(4) . . ?
C10 N1 Ag1 117.8(3) . . ?
C9 N1 Ag1 125.2(3) . . ?
N1 C10 C11 123.9(4) . . ?
N1 C10 H10 118.1 . . ?
C11 C10 H10 118.1 . . ?
C10 C11 C12 118.4(4) . . ?
C10 C11 H11 120.8 . . ?
C12 C11 H11 120.8 . . ?
C8 C12 C11 119.3(4) . . ?
C8 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C5 C13 C16 109.0(3) . . ?
C5 C13 C14 112.0(3) . . ?
C16 C13 C14 107.7(3) . . ?
C5 C13 C15 110.0(3) . . ?
C16 C13 C15 110.0(3) . . ?
C14 C13 C15 108.1(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C17 S3 C3 109.78(14) . . ?
C22 C17 C18 120.5(3) . . ?
C22 C17 S3 114.4(2) . . ?
C18 C17 S3 124.7(2) . . ?
C19 C18 C17 117.2(3) . . ?
C19 C18 S4 119.6(2) . . ?
C17 C18 S4 123.1(2) . . ?
C20 C19 C18 120.8(3) . . ?
C20 C19 S1 114.5(2) . 2 ?
C18 C19 S1 124.1(2) . 2 ?
C21 C20 C19 121.8(3) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C22 C21 C20 116.9(3) . . ?
C22 C21 C29 120.3(3) . . ?
C20 C21 C29 122.8(3) . . ?
C17 C22 C21 122.7(3) . . ?
C17 C22 H22 118.7 . . ?
C21 C22 H22 118.7 . . ?
C18 S4 C23 102.58(15) . . ?
C24 C23 S4 106.7(2) . . ?
C24 C23 H23A 110.4 . . ?
S4 C23 H23A 110.4 . . ?
C24 C23 H23B 110.4 . . ?
S4 C23 H23B 110.4 . . ?
H23A C23 H23B 108.6 . . ?
C28 C24 C25 117.2(3) . . ?
C28 C24 C23 121.8(3) . . ?
C25 C24 C23 121.0(3) . . ?
N2 C25 C24 124.2(3) . . ?
N2 C25 H25 117.9 . . ?
C24 C25 H25 117.9 . . ?
C26 N2 C25 117.3(3) . . ?
C26 N2 Ag1 117.2(2) . 1_565 ?
C25 N2 Ag1 125.4(2) . 1_565 ?
N2 C26 C27 122.6(3) . . ?
N2 C26 H26 118.7 . . ?
C27 C26 H26 118.7 . . ?
C26 C27 C28 119.3(3) . . ?
C26 C27 H27 120.4 . . ?
C28 C27 H27 120.4 . . ?
C24 C28 C27 119.4(3) . . ?
C24 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C30 C29 C32 108.9(3) . . ?
C30 C29 C21 109.0(3) . . ?
C32 C29 C21 112.2(3) . . ?
C30 C29 C31 109.7(3) . . ?
C32 C29 C31 108.5(3) . . ?
C21 C29 C31 108.6(3) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
F2 B1 F3 126.6(14) . . ?
F2 B1 F1 101.8(8) . . ?
F3 B1 F1 113.3(9) . . ?
F2 B1 F4 109.0(7) . . ?
F3 B1 F4 103.9(7) . . ?
F1 B1 F4 98.9(11) . . ?

_diffrn_measured_fraction_theta_max 0.951
_diffrn_reflns_theta_full        30.00
_diffrn_measured_fraction_theta_full 0.951
_refine_diff_density_max         1.471
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.115
_database_code_depnum_ccdc_archive 'CCDC 957509'