# Electronic Supplementary Material (ESI) for Chemical Communications
# 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_Complex1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C51 H48 Ag3 F9 N16 O9 S3'
_chemical_formula_weight         1619.84

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.158(3)
_cell_length_b                   13.945(3)
_cell_length_c                   16.183(3)
_cell_angle_alpha                97.30(3)
_cell_angle_beta                 90.51(3)
_cell_angle_gamma                94.38(3)
_cell_volume                     2936.0(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9848
_cell_measurement_theta_min      1.4767
_cell_measurement_theta_max      27.4688

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.832
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1616
_exptl_absorpt_coefficient_mu    1.196
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6413
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2008)'

_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  'Saturn724+ CCD'
_diffrn_measurement_method       '\w scans at fixed \c = 45\%'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26609
_diffrn_reflns_av_R_equivalents  0.0973
_diffrn_reflns_av_sigmaI/netI    0.1275
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.82
_diffrn_reflns_theta_max         27.45
_reflns_number_total             13313
_reflns_number_gt                9754
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP in Siemens SHELXTL (Sheldrick, 1994)'
_computing_publication_material  'SHELX97 (Sheldrick, 1997)'

_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^)+(0.0755P)^2^+12.0848P] 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         13313
_refine_ls_number_parameters     808
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1236
_refine_ls_R_factor_gt           0.0930
_refine_ls_wR_factor_ref         0.2301
_refine_ls_wR_factor_gt          0.2104
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_restrained_S_all      1.105
_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 0.57447(5) 0.23144(4) 0.30564(4) 0.02557(16) Uani 1 1 d . . .
Ag2 Ag 0.74430(5) 0.07343(5) 0.22517(4) 0.03448(19) Uani 1 1 d . . .
Ag3 Ag 0.73337(5) 0.35715(6) 0.20156(4) 0.03495(19) Uani 1 1 d . . .
N1 N 0.9579(5) 0.2187(5) 0.2386(4) 0.0260(14) Uani 1 1 d . . .
C1 C 0.9937(6) 0.2998(6) 0.2072(5) 0.0259(17) Uani 1 1 d . . .
C2 C 1.0737(6) 0.2976(7) 0.1503(5) 0.0320(19) Uani 1 1 d . . .
H2A H 1.0994 0.3538 0.1298 0.038 Uiso 1 1 calc R . .
C3 C 1.1127(6) 0.2104(7) 0.1258(5) 0.037(2) Uani 1 1 d . . .
H3A H 1.1627 0.2069 0.0855 0.044 Uiso 1 1 calc R . .
C4 C 1.0796(6) 0.1274(7) 0.1593(5) 0.035(2) Uani 1 1 d . . .
H4A H 1.1083 0.0689 0.1445 0.041 Uiso 1 1 calc R . .
C5 C 1.0004(6) 0.1355(6) 0.2169(5) 0.0235(16) Uani 1 1 d . . .
N2 N 0.9595(5) 0.0575(5) 0.2558(5) 0.0328(16) Uani 1 1 d . . .
C6 C 1.0071(8) -0.0341(6) 0.2426(6) 0.041(2) Uani 1 1 d . . .
H6A H 1.0276 -0.0462 0.1857 0.062 Uiso 1 1 calc R . .
H6B H 0.9593 -0.0857 0.2547 0.062 Uiso 1 1 calc R . .
H6C H 1.0659 -0.0307 0.2788 0.062 Uiso 1 1 calc R . .
N3 N 0.8251(5) 0.0876(5) 0.3478(4) 0.0265(14) Uani 1 1 d . . .
C7 C 0.9262(7) 0.0811(6) 0.3387(6) 0.0324(19) Uani 1 1 d . . .
C8 C 0.9948(7) 0.0952(8) 0.4063(6) 0.043(2) Uani 1 1 d . . .
H8A H 1.0640 0.0886 0.3987 0.051 Uiso 1 1 calc R . .
C9 C 0.9568(8) 0.1192(9) 0.4840(6) 0.053(3) Uani 1 1 d . . .
H9A H 1.0013 0.1308 0.5298 0.064 Uiso 1 1 calc R . .
C10 C 0.8550(7) 0.1263(8) 0.4956(5) 0.041(2) Uani 1 1 d . . .
H10A H 0.8297 0.1425 0.5486 0.049 Uiso 1 1 calc R . .
C11 C 0.7897(6) 0.1086(6) 0.4259(5) 0.0284(18) Uani 1 1 d . . .
N4 N 0.6843(5) 0.1153(5) 0.4317(4) 0.0313(16) Uani 1 1 d . . .
C12 C 0.6419(8) 0.1339(9) 0.5159(6) 0.049(3) Uani 1 1 d . . .
H12A H 0.6860 0.1816 0.5497 0.074 Uiso 1 1 calc R . .
H12B H 0.6365 0.0749 0.5407 0.074 Uiso 1 1 calc R . .
H12C H 0.5755 0.1574 0.5120 0.074 Uiso 1 1 calc R . .
N5 N 0.5716(5) 0.0780(4) 0.3150(4) 0.0181(12) Uani 1 1 d . . .
C13 C 0.6229(6) 0.0448(6) 0.3766(5) 0.0300(19) Uani 1 1 d . . .
C14 C 0.6137(7) -0.0523(6) 0.3899(6) 0.034(2) Uani 1 1 d . . .
H14A H 0.6492 -0.0742 0.4329 0.041 Uiso 1 1 calc R . .
C15 C 0.5500(7) -0.1137(7) 0.3369(6) 0.042(2) Uani 1 1 d . . .
H15A H 0.5409 -0.1787 0.3446 0.050 Uiso 1 1 calc R . .
C16 C 0.4986(6) -0.0818(7) 0.2719(6) 0.034(2) Uani 1 1 d . . .
H16A H 0.4558 -0.1244 0.2359 0.041 Uiso 1 1 calc R . .
C17 C 0.5130(6) 0.0160(6) 0.2621(5) 0.0270(17) Uani 1 1 d . . .
N6 N 0.4614(5) 0.0533(5) 0.1987(4) 0.0294(15) Uani 1 1 d . . .
C18 C 0.3501(6) 0.0488(7) 0.2008(6) 0.038(2) Uani 1 1 d . . .
H18A H 0.3246 0.0780 0.1550 0.058 Uiso 1 1 calc R . .
H18B H 0.3293 0.0831 0.2523 0.058 Uiso 1 1 calc R . .
H18C H 0.3234 -0.0177 0.1965 0.058 Uiso 1 1 calc R . .
N7 N 0.6158(5) 0.0860(5) 0.1304(4) 0.0251(14) Uani 1 1 d . . .
C19 C 0.5124(6) 0.0818(6) 0.1306(5) 0.0259(16) Uani 1 1 d . . .
C20 C 0.4558(6) 0.1093(6) 0.0643(5) 0.0292(18) Uani 1 1 d . . .
H20A H 0.3852 0.1100 0.0666 0.035 Uiso 1 1 calc R . .
C21 C 0.5081(7) 0.1354(6) -0.0042(5) 0.0313(19) Uani 1 1 d . . .
H21A H 0.4724 0.1523 -0.0494 0.038 Uiso 1 1 calc R . .
C22 C 0.6135(6) 0.1364(6) -0.0060(5) 0.0249(16) Uani 1 1 d . . .
H22A H 0.6494 0.1537 -0.0518 0.030 Uiso 1 1 calc R . .
C23 C 0.6633(6) 0.1112(5) 0.0618(5) 0.0230(16) Uani 1 1 d . . .
N8 N 0.7730(5) 0.1084(5) 0.0673(4) 0.0241(14) Uani 1 1 d . . .
C24 C 0.8056(7) 0.0112(6) 0.0378(6) 0.034(2) Uani 1 1 d . . .
H24A H 0.8785 0.0124 0.0421 0.051 Uiso 1 1 calc R . .
H24B H 0.7841 -0.0070 -0.0192 0.051 Uiso 1 1 calc R . .
H24C H 0.7753 -0.0349 0.0714 0.051 Uiso 1 1 calc R . .
N9 N 0.7890(5) 0.2718(5) 0.0581(4) 0.0218(13) Uani 1 1 d . . .
C25 C 0.8276(5) 0.1866(6) 0.0384(5) 0.0259(17) Uani 1 1 d . . .
C26 C 0.9173(6) 0.1791(7) -0.0079(5) 0.036(2) Uani 1 1 d . . .
H26A H 0.9462 0.1202 -0.0195 0.043 Uiso 1 1 calc R . .
C27 C 0.9604(6) 0.2609(7) -0.0350(5) 0.033(2) Uani 1 1 d . . .
H27A H 1.0213 0.2583 -0.0636 0.040 Uiso 1 1 calc R . .
C28 C 0.9158(6) 0.3475(7) -0.0209(5) 0.034(2) Uani 1 1 d . . .
H28A H 0.9437 0.4025 -0.0421 0.041 Uiso 1 1 calc R . .
C29 C 0.8278(6) 0.3503(6) 0.0258(5) 0.0238(16) Uani 1 1 d . . .
N10 N 0.7730(5) 0.4324(5) 0.0426(4) 0.0266(14) Uani 1 1 d . . .
C30 C 0.8106(6) 0.5205(6) 0.0085(6) 0.0332(19) Uani 1 1 d . . .
H30A H 0.8834 0.5292 0.0149 0.050 Uiso 1 1 calc R . .
H30B H 0.7808 0.5754 0.0378 0.050 Uiso 1 1 calc R . .
H30C H 0.7922 0.5146 -0.0496 0.050 Uiso 1 1 calc R . .
N11 N 0.6157(5) 0.3969(5) 0.1067(4) 0.0224(13) Uani 1 1 d . . .
C31 C 0.6644(6) 0.4104(5) 0.0362(5) 0.0223(15) Uani 1 1 d . . .
C32 C 0.6154(6) 0.4017(6) -0.0409(5) 0.0289(18) Uani 1 1 d . . .
H32A H 0.6513 0.4124 -0.0885 0.035 Uiso 1 1 calc R . .
C33 C 0.5121(7) 0.3769(6) -0.0449(5) 0.0310(18) Uani 1 1 d . . .
H33A H 0.4772 0.3696 -0.0958 0.037 Uiso 1 1 calc R . .
C34 C 0.4604(6) 0.3627(6) 0.0267(5) 0.0274(17) Uani 1 1 d . . .
H34A H 0.3906 0.3458 0.0249 0.033 Uiso 1 1 calc R . .
C35 C 0.5149(6) 0.3742(5) 0.1018(5) 0.0230(16) Uani 1 1 d . . .
N12 N 0.4684(5) 0.3600(5) 0.1775(4) 0.0254(14) Uani 1 1 d . . .
C36 C 0.3556(6) 0.3437(7) 0.1793(6) 0.037(2) Uani 1 1 d . . .
H36A H 0.3350 0.3361 0.2350 0.056 Uiso 1 1 calc R . .
H36B H 0.3337 0.2863 0.1425 0.056 Uiso 1 1 calc R . .
H36C H 0.3253 0.3984 0.1617 0.056 Uiso 1 1 calc R . .
N13 N 0.5683(5) 0.3833(4) 0.3005(4) 0.0220(13) Uani 1 1 d . . .
C37 C 0.5109(5) 0.4248(6) 0.2466(4) 0.0211(15) Uani 1 1 d . . .
C38 C 0.4940(6) 0.5224(6) 0.2584(6) 0.0319(19) Uani 1 1 d . . .
H38A H 0.4513 0.5480 0.2221 0.038 Uiso 1 1 calc R . .
C39 C 0.5426(7) 0.5820(7) 0.3260(6) 0.040(2) Uani 1 1 d . . .
H39A H 0.5332 0.6479 0.3350 0.048 Uiso 1 1 calc R . .
C40 C 0.6042(6) 0.5411(6) 0.3785(6) 0.0333(19) Uani 1 1 d . . .
H40A H 0.6386 0.5791 0.4230 0.040 Uiso 1 1 calc R . .
C41 C 0.6145(6) 0.4422(6) 0.3641(5) 0.0252(16) Uani 1 1 d . . .
N14 N 0.6713(5) 0.3948(5) 0.4204(4) 0.0287(15) Uani 1 1 d . . .
C42 C 0.6291(7) 0.3991(8) 0.5040(5) 0.039(2) Uani 1 1 d . . .
H42A H 0.6707 0.3657 0.5382 0.059 Uiso 1 1 calc R . .
H42B H 0.5610 0.3687 0.5006 0.059 Uiso 1 1 calc R . .
H42C H 0.6280 0.4655 0.5280 0.059 Uiso 1 1 calc R . .
N15 N 0.8105(5) 0.3884(5) 0.3305(4) 0.0246(14) Uani 1 1 d . . .
C43 C 0.7774(6) 0.3926(6) 0.4094(5) 0.0254(16) Uani 1 1 d . . .
C44 C 0.8426(7) 0.3917(7) 0.4775(6) 0.036(2) Uani 1 1 d . . .
H44A H 0.8177 0.3917 0.5311 0.044 Uiso 1 1 calc R . .
C45 C 0.9463(7) 0.3908(8) 0.4625(6) 0.045(2) Uani 1 1 d . . .
H45A H 0.9920 0.3909 0.5068 0.054 Uiso 1 1 calc R . .
C46 C 0.9818(7) 0.3896(7) 0.3837(6) 0.041(2) Uani 1 1 d . . .
H46A H 1.0513 0.3903 0.3735 0.049 Uiso 1 1 calc R . .
C47 C 0.9115(6) 0.3874(6) 0.3187(5) 0.0275(17) Uani 1 1 d . . .
N16 N 0.9435(5) 0.3818(5) 0.2346(4) 0.0287(15) Uani 1 1 d . . .
C48 C 0.9847(8) 0.4749(6) 0.2099(6) 0.040(2) Uani 1 1 d . . .
H48A H 1.0037 0.4656 0.1525 0.060 Uiso 1 1 calc R . .
H48B H 1.0436 0.4989 0.2440 0.060 Uiso 1 1 calc R . .
H48C H 0.9338 0.5208 0.2172 0.060 Uiso 1 1 calc R . .
S1 S 0.34349(19) 0.20773(18) 0.42742(16) 0.0395(5) Uani 1 1 d . . .
O1 O 0.3910(7) 0.2298(6) 0.3518(5) 0.0692(14) Uani 1 1 d . . .
O2 O 0.2989(7) 0.1099(7) 0.4220(5) 0.0692(14) Uani 1 1 d . . .
O3 O 0.3979(7) 0.2467(6) 0.5035(5) 0.0692(14) Uani 1 1 d . . .
C49 C 0.2327(7) 0.2752(10) 0.4262(7) 0.057(3) Uani 1 1 d . . .
F11 F 0.2580(8) 0.3687(6) 0.4300(7) 0.129(5) Uani 1 1 d . . .
F12 F 0.1746(6) 0.2654(10) 0.4908(5) 0.129(5) Uani 1 1 d . . .
F13 F 0.1764(5) 0.2493(5) 0.3579(4) 0.0668(19) Uani 1 1 d . . .
S2 S 0.2595(2) 0.67110(19) 0.26758(17) 0.0454(6) Uani 1 1 d . . .
O4 O 0.3617(6) 0.7042(6) 0.2773(8) 0.100(4) Uani 1 1 d . . .
O5 O 0.2117(10) 0.6607(8) 0.3466(5) 0.104(4) Uani 1 1 d . . .
O6 O 0.2350(6) 0.5936(5) 0.2037(4) 0.0511(18) Uani 1 1 d . . .
C50 C 0.2007(8) 0.7729(9) 0.2375(7) 0.053(3) Uani 1 1 d . . .
F21 F 0.2377(6) 0.7966(6) 0.1657(4) 0.080(2) Uani 1 1 d . . .
F22 F 0.2196(6) 0.8521(5) 0.2936(4) 0.067(2) Uani 1 1 d . . .
F23 F 0.0999(5) 0.7563(6) 0.2283(5) 0.076(2) Uani 1 1 d . . .
S3 S 0.73421(19) -0.20510(17) 0.15846(16) 0.0390(5) Uani 1 1 d . . .
O7 O 0.7758(7) -0.2337(6) 0.0786(5) 0.069(2) Uani 1 1 d . . .
O8 O 0.6268(6) -0.2244(6) 0.1613(5) 0.065(2) Uani 1 1 d . . .
O9 O 0.7717(6) -0.1117(5) 0.1988(5) 0.0528(19) Uani 1 1 d . . .
C51 C 0.7814(9) -0.2887(8) 0.2254(8) 0.054(3) Uani 1 1 d . . .
F31 F 0.8832(6) -0.2838(6) 0.2254(6) 0.096(3) Uani 1 1 d . . .
F32 F 0.7530(6) -0.2680(5) 0.3021(4) 0.077(2) Uani 1 1 d . . .
F33 F 0.7505(6) -0.3773(5) 0.1994(5) 0.077(2) Uani 1 1 d . . .

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 0.0306(3) 0.0195(3) 0.0267(3) 0.0032(2) -0.0011(2) 0.0025(2)
Ag2 0.0287(3) 0.0515(4) 0.0240(3) 0.0051(3) 0.0002(3) 0.0080(3)
Ag3 0.0238(3) 0.0601(5) 0.0221(3) 0.0092(3) -0.0012(2) 0.0044(3)
N1 0.023(3) 0.034(4) 0.022(3) 0.008(3) 0.003(3) 0.005(3)
C1 0.023(4) 0.029(4) 0.024(4) 0.002(3) -0.004(3) -0.003(3)
C2 0.025(4) 0.045(5) 0.027(4) 0.014(4) 0.000(3) -0.005(4)
C3 0.025(4) 0.056(6) 0.029(4) 0.006(4) 0.004(4) -0.002(4)
C4 0.029(4) 0.041(5) 0.031(5) -0.008(4) -0.002(4) 0.008(4)
C5 0.022(4) 0.024(4) 0.024(4) -0.004(3) 0.002(3) 0.007(3)
N2 0.029(4) 0.029(4) 0.040(4) 0.002(3) 0.002(3) 0.004(3)
C6 0.052(6) 0.024(4) 0.047(6) -0.001(4) -0.003(5) 0.013(4)
N3 0.029(3) 0.031(4) 0.020(3) 0.010(3) 0.000(3) 0.000(3)
C7 0.033(4) 0.027(4) 0.038(5) 0.011(4) -0.002(4) -0.005(4)
C8 0.027(4) 0.067(7) 0.035(5) 0.015(5) -0.002(4) -0.001(4)
C9 0.040(5) 0.083(8) 0.037(5) 0.014(6) -0.016(4) 0.003(6)
C10 0.048(6) 0.059(6) 0.018(4) 0.010(4) -0.002(4) -0.001(5)
C11 0.033(4) 0.019(4) 0.034(4) 0.002(3) -0.007(4) 0.010(3)
N4 0.035(4) 0.037(4) 0.023(3) 0.005(3) 0.002(3) 0.006(3)
C12 0.048(6) 0.076(8) 0.028(5) 0.007(5) 0.015(4) 0.026(6)
N5 0.026(3) 0.011(3) 0.018(3) 0.002(2) 0.002(2) 0.004(2)
C13 0.024(4) 0.036(5) 0.033(4) 0.010(4) 0.016(3) 0.014(4)
C14 0.038(5) 0.022(4) 0.046(5) 0.015(4) 0.009(4) 0.008(4)
C15 0.046(6) 0.025(4) 0.054(6) 0.000(4) 0.017(5) 0.007(4)
C16 0.028(4) 0.035(5) 0.039(5) 0.001(4) 0.012(4) 0.002(4)
C17 0.027(4) 0.028(4) 0.027(4) 0.002(3) 0.009(3) 0.009(3)
N6 0.024(3) 0.030(4) 0.034(4) 0.002(3) 0.005(3) 0.003(3)
C18 0.020(4) 0.054(6) 0.043(5) 0.014(5) -0.004(4) -0.002(4)
N7 0.020(3) 0.027(3) 0.027(3) 0.003(3) 0.001(3) -0.001(3)
C19 0.034(4) 0.020(4) 0.023(4) 0.000(3) 0.004(3) 0.001(3)
C20 0.028(4) 0.023(4) 0.034(4) -0.007(3) -0.001(3) -0.001(3)
C21 0.040(5) 0.028(4) 0.028(4) 0.010(4) -0.004(4) 0.004(4)
C22 0.030(4) 0.023(4) 0.020(4) 0.001(3) -0.003(3) 0.001(3)
C23 0.025(4) 0.018(4) 0.024(4) -0.002(3) -0.002(3) -0.003(3)
N8 0.021(3) 0.025(3) 0.027(3) 0.003(3) -0.002(3) 0.006(3)
C24 0.037(5) 0.026(4) 0.040(5) -0.002(4) 0.011(4) 0.014(4)
N9 0.025(3) 0.023(3) 0.019(3) 0.007(3) 0.005(3) 0.004(3)
C25 0.014(3) 0.041(5) 0.021(4) -0.002(3) 0.001(3) -0.004(3)
C26 0.029(4) 0.052(6) 0.027(4) 0.006(4) 0.003(4) 0.009(4)
C27 0.022(4) 0.051(6) 0.027(4) 0.008(4) 0.005(3) -0.003(4)
C28 0.027(4) 0.044(5) 0.032(5) 0.011(4) 0.006(4) -0.004(4)
C29 0.019(4) 0.026(4) 0.025(4) -0.002(3) -0.001(3) 0.003(3)
N10 0.032(4) 0.018(3) 0.029(4) 0.006(3) -0.002(3) -0.002(3)
C30 0.028(4) 0.025(4) 0.046(5) 0.007(4) -0.001(4) -0.008(3)
N11 0.027(3) 0.020(3) 0.020(3) 0.003(3) -0.001(3) 0.002(3)
C31 0.025(4) 0.018(4) 0.023(4) 0.002(3) -0.001(3) 0.003(3)
C32 0.031(4) 0.031(4) 0.024(4) 0.005(3) -0.001(3) -0.004(3)
C33 0.043(5) 0.025(4) 0.025(4) 0.004(3) -0.010(4) 0.000(4)
C34 0.025(4) 0.031(4) 0.026(4) 0.003(3) -0.008(3) -0.002(3)
C35 0.019(4) 0.021(4) 0.029(4) 0.001(3) 0.002(3) 0.007(3)
N12 0.023(3) 0.025(3) 0.027(3) 0.002(3) 0.003(3) 0.000(3)
C36 0.024(4) 0.045(5) 0.042(5) 0.008(4) 0.000(4) -0.005(4)
N13 0.026(3) 0.020(3) 0.021(3) 0.003(3) 0.000(3) 0.006(3)
C37 0.014(3) 0.033(4) 0.017(3) 0.008(3) 0.005(3) 0.003(3)
C38 0.030(4) 0.030(4) 0.036(5) 0.002(4) 0.006(4) 0.009(4)
C39 0.042(5) 0.029(5) 0.050(6) 0.010(4) 0.004(4) 0.005(4)
C40 0.032(4) 0.022(4) 0.040(5) -0.014(4) -0.001(4) -0.004(3)
C41 0.028(4) 0.029(4) 0.020(4) 0.007(3) 0.007(3) 0.005(3)
N14 0.032(4) 0.036(4) 0.020(3) 0.008(3) -0.003(3) 0.007(3)
C42 0.040(5) 0.061(6) 0.018(4) 0.004(4) 0.007(4) 0.011(5)
N15 0.024(3) 0.020(3) 0.027(3) 0.001(3) -0.006(3) -0.007(3)
C43 0.033(4) 0.020(4) 0.021(4) -0.008(3) -0.006(3) 0.006(3)
C44 0.045(5) 0.036(5) 0.028(4) -0.005(4) -0.002(4) 0.015(4)
C45 0.040(5) 0.059(7) 0.037(5) -0.001(5) -0.020(4) 0.018(5)
C46 0.036(5) 0.044(6) 0.042(5) -0.001(4) -0.011(4) 0.014(4)
C47 0.027(4) 0.029(4) 0.027(4) 0.000(3) -0.001(3) 0.013(3)
N16 0.025(3) 0.034(4) 0.029(4) 0.010(3) 0.002(3) 0.000(3)
C48 0.053(6) 0.027(5) 0.039(5) 0.006(4) -0.004(4) -0.002(4)
S1 0.0403(13) 0.0404(13) 0.0406(13) 0.0109(11) 0.0067(10) 0.0107(11)
O1 0.075(3) 0.073(3) 0.063(3) 0.021(3) -0.005(3) 0.008(3)
O2 0.075(3) 0.073(3) 0.063(3) 0.021(3) -0.005(3) 0.008(3)
O3 0.075(3) 0.073(3) 0.063(3) 0.021(3) -0.005(3) 0.008(3)
C49 0.024(5) 0.085(9) 0.053(7) -0.027(6) -0.014(4) 0.005(5)
F11 0.128(8) 0.056(5) 0.191(11) -0.046(6) -0.099(8) 0.043(5)
F12 0.051(4) 0.254(14) 0.069(6) -0.036(7) 0.017(4) 0.025(6)
F13 0.040(3) 0.080(5) 0.074(5) -0.013(4) -0.019(3) 0.008(3)
S2 0.0459(14) 0.0440(14) 0.0451(14) -0.0056(11) -0.0117(11) 0.0155(12)
O4 0.053(5) 0.043(5) 0.199(12) -0.006(6) -0.056(6) 0.009(4)
O5 0.201(12) 0.089(7) 0.032(4) 0.028(5) 0.022(6) 0.047(8)
O6 0.063(5) 0.045(4) 0.042(4) -0.004(3) 0.015(4) -0.004(4)
C50 0.045(6) 0.069(8) 0.044(6) 0.006(6) -0.002(5) 0.013(6)
F21 0.107(6) 0.087(6) 0.046(4) 0.025(4) 0.006(4) -0.015(5)
F22 0.103(6) 0.048(4) 0.052(4) -0.009(3) -0.016(4) 0.038(4)
F23 0.037(3) 0.110(6) 0.089(5) 0.032(5) -0.005(3) 0.033(4)
S3 0.0411(13) 0.0315(12) 0.0441(13) -0.0015(10) -0.0033(11) 0.0112(10)
O7 0.101(7) 0.056(5) 0.055(5) 0.014(4) 0.019(5) 0.029(5)
O8 0.044(4) 0.074(6) 0.069(6) -0.017(4) -0.014(4) 0.008(4)
O9 0.067(5) 0.035(4) 0.054(5) 0.002(3) -0.012(4) -0.007(3)
C51 0.056(7) 0.044(6) 0.067(8) 0.015(6) 0.007(6) 0.024(5)
F31 0.056(4) 0.100(6) 0.149(8) 0.063(6) -0.003(5) 0.030(4)
F32 0.116(6) 0.072(5) 0.044(4) 0.015(4) -0.001(4) 0.006(4)
F33 0.100(6) 0.050(4) 0.084(5) 0.022(4) 0.021(5) 0.001(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 N13 2.137(6) . ?
Ag1 N5 2.162(6) . ?
Ag1 O1 2.532(9) . ?
Ag1 Ag3 3.2459(13) . ?
Ag2 N3 2.222(6) . ?
Ag2 N7 2.304(7) . ?
Ag3 N15 2.288(6) . ?
Ag3 N11 2.316(6) . ?
Ag3 N9 2.607(6) . ?
N1 C5 1.335(10) . ?
N1 C1 1.352(10) . ?
C1 N16 1.389(10) . ?
C1 C2 1.404(11) . ?
C2 C3 1.370(13) . ?
C3 C4 1.382(13) . ?
C4 C5 1.405(11) . ?
C5 N2 1.400(10) . ?
N2 C7 1.422(11) . ?
N2 C6 1.458(11) . ?
N3 C7 1.349(10) . ?
N3 C11 1.355(10) . ?
C7 C8 1.397(12) . ?
C8 C9 1.369(14) . ?
C9 C10 1.363(14) . ?
C10 C11 1.396(12) . ?
C11 N4 1.401(10) . ?
N4 C13 1.435(11) . ?
N4 C12 1.477(10) . ?
N5 C17 1.331(10) . ?
N5 C13 1.348(10) . ?
C13 C14 1.394(11) . ?
C14 C15 1.365(13) . ?
C15 C16 1.382(13) . ?
C16 C17 1.393(12) . ?
C17 N6 1.400(10) . ?
N6 C19 1.381(10) . ?
N6 C18 1.462(10) . ?
N7 C23 1.351(10) . ?
N7 C19 1.357(10) . ?
C19 C20 1.410(11) . ?
C20 C21 1.383(11) . ?
C21 C22 1.387(11) . ?
C22 C23 1.370(10) . ?
C23 N8 1.449(9) . ?
N8 C25 1.393(10) . ?
N8 C24 1.475(10) . ?
N9 C25 1.331(10) . ?
N9 C29 1.340(10) . ?
C25 C26 1.408(11) . ?
C26 C27 1.359(12) . ?
C27 C28 1.377(13) . ?
C28 C29 1.389(11) . ?
C29 N10 1.398(10) . ?
N10 C31 1.438(10) . ?
N10 C30 1.464(10) . ?
N11 C35 1.338(9) . ?
N11 C31 1.340(9) . ?
C31 C32 1.387(11) . ?
C32 C33 1.376(11) . ?
C33 C34 1.377(11) . ?
C34 C35 1.391(11) . ?
C35 N12 1.405(10) . ?
N12 C37 1.426(10) . ?
N12 C36 1.484(10) . ?
N13 C41 1.342(10) . ?
N13 C37 1.360(9) . ?
C37 C38 1.386(11) . ?
C38 C39 1.404(13) . ?
C39 C40 1.374(13) . ?
C40 C41 1.386(11) . ?
C41 N14 1.428(10) . ?
N14 C43 1.410(10) . ?
N14 C42 1.464(10) . ?
N15 C47 1.344(10) . ?
N15 C43 1.350(10) . ?
C43 C44 1.393(11) . ?
C44 C45 1.389(13) . ?
C45 C46 1.361(13) . ?
C46 C47 1.390(12) . ?
C47 N16 1.424(10) . ?
N16 C48 1.472(10) . ?
S1 O1 1.436(8) . ?
S1 O2 1.435(9) . ?
S1 O3 1.441(9) . ?
S1 C49 1.796(11) . ?
C49 F12 1.315(14) . ?
C49 F11 1.315(15) . ?
C49 F13 1.319(11) . ?
S2 O4 1.388(9) . ?
S2 O6 1.414(7) . ?
S2 O5 1.449(9) . ?
S2 C50 1.785(12) . ?
C50 F21 1.335(12) . ?
C50 F23 1.332(12) . ?
C50 F22 1.343(13) . ?
S3 O8 1.420(8) . ?
S3 O7 1.430(8) . ?
S3 O9 1.431(7) . ?
S3 C51 1.827(11) . ?
C51 F33 1.288(13) . ?
C51 F32 1.302(13) . ?
C51 F31 1.336(13) . ?

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
N13 Ag1 N5 176.3(2) . . ?
N13 Ag1 O1 87.1(3) . . ?
N5 Ag1 O1 89.3(3) . . ?
N13 Ag1 Ag3 56.52(17) . . ?
N5 Ag1 Ag3 127.10(16) . . ?
O1 Ag1 Ag3 139.41(19) . . ?
N3 Ag2 N7 158.3(2) . . ?
N15 Ag3 N11 149.0(2) . . ?
N15 Ag3 N9 133.4(2) . . ?
N11 Ag3 N9 75.5(2) . . ?
N15 Ag3 Ag1 80.48(16) . . ?
N11 Ag3 Ag1 96.89(16) . . ?
N9 Ag3 Ag1 116.39(14) . . ?
C5 N1 C1 119.8(7) . . ?
N1 C1 N16 114.5(7) . . ?
N1 C1 C2 121.0(8) . . ?
N16 C1 C2 124.5(7) . . ?
C3 C2 C1 118.1(8) . . ?
C2 C3 C4 121.7(8) . . ?
C3 C4 C5 116.9(8) . . ?
N1 C5 N2 114.6(6) . . ?
N1 C5 C4 122.3(7) . . ?
N2 C5 C4 123.0(7) . . ?
C5 N2 C7 115.9(7) . . ?
C5 N2 C6 118.9(7) . . ?
C7 N2 C6 113.3(7) . . ?
C7 N3 C11 118.1(7) . . ?
C7 N3 Ag2 111.4(5) . . ?
C11 N3 Ag2 130.3(5) . . ?
N3 C7 C8 122.5(8) . . ?
N3 C7 N2 116.1(7) . . ?
C8 C7 N2 121.4(8) . . ?
C9 C8 C7 117.8(9) . . ?
C10 C9 C8 121.3(9) . . ?
C9 C10 C11 118.3(9) . . ?
N3 C11 C10 122.0(8) . . ?
N3 C11 N4 115.6(7) . . ?
C10 C11 N4 122.4(8) . . ?
C11 N4 C13 115.3(7) . . ?
C11 N4 C12 117.5(7) . . ?
C13 N4 C12 113.4(7) . . ?
C17 N5 C13 119.5(7) . . ?
C17 N5 Ag1 119.2(5) . . ?
C13 N5 Ag1 121.1(5) . . ?
N5 C13 C14 122.5(9) . . ?
N5 C13 N4 116.8(7) . . ?
C14 C13 N4 120.6(8) . . ?
C15 C14 C13 116.8(9) . . ?
C14 C15 C16 121.8(9) . . ?
C15 C16 C17 117.9(9) . . ?
N5 C17 C16 121.4(8) . . ?
N5 C17 N6 117.8(7) . . ?
C16 C17 N6 120.7(8) . . ?
C19 N6 C17 121.1(7) . . ?
C19 N6 C18 120.4(7) . . ?
C17 N6 C18 117.9(7) . . ?
C23 N7 C19 117.9(7) . . ?
C23 N7 Ag2 105.4(5) . . ?
C19 N7 Ag2 136.4(5) . . ?
N7 C19 N6 119.3(7) . . ?
N7 C19 C20 121.6(7) . . ?
N6 C19 C20 119.1(7) . . ?
C21 C20 C19 118.1(7) . . ?
C20 C21 C22 120.4(7) . . ?
C23 C22 C21 118.0(7) . . ?
N7 C23 C22 123.9(7) . . ?
N7 C23 N8 112.7(6) . . ?
C22 C23 N8 123.4(7) . . ?
C25 N8 C23 114.1(6) . . ?
C25 N8 C24 116.5(6) . . ?
C23 N8 C24 111.9(6) . . ?
C25 N9 C29 120.3(6) . . ?
C25 N9 Ag3 130.5(5) . . ?
C29 N9 Ag3 98.7(5) . . ?
N9 C25 N8 114.9(6) . . ?
N9 C25 C26 120.9(8) . . ?
N8 C25 C26 124.2(8) . . ?
C27 C26 C25 117.8(9) . . ?
C26 C27 C28 121.4(8) . . ?
C27 C28 C29 117.9(8) . . ?
N9 C29 C28 121.1(7) . . ?
N9 C29 N10 115.0(6) . . ?
C28 C29 N10 123.9(7) . . ?
C29 N10 C31 113.1(6) . . ?
C29 N10 C30 117.9(7) . . ?
C31 N10 C30 115.1(6) . . ?
C35 N11 C31 118.0(7) . . ?
C35 N11 Ag3 128.8(5) . . ?
C31 N11 Ag3 108.1(5) . . ?
N11 C31 C32 123.1(7) . . ?
N11 C31 N10 117.1(7) . . ?
C32 C31 N10 119.8(7) . . ?
C33 C32 C31 118.1(7) . . ?
C32 C33 C34 119.8(8) . . ?
C33 C34 C35 118.5(7) . . ?
N11 C35 C34 122.5(7) . . ?
N11 C35 N12 115.3(7) . . ?
C34 C35 N12 122.2(7) . . ?
C35 N12 C37 113.1(6) . . ?
C35 N12 C36 118.9(7) . . ?
C37 N12 C36 113.6(6) . . ?
C41 N13 C37 117.2(7) . . ?
C41 N13 Ag1 115.7(5) . . ?
C37 N13 Ag1 126.4(5) . . ?
N13 C37 C38 122.6(7) . . ?
N13 C37 N12 114.9(7) . . ?
C38 C37 N12 122.5(7) . . ?
C37 C38 C39 118.8(8) . . ?
C40 C39 C38 118.7(8) . . ?
C39 C40 C41 118.9(8) . . ?
N13 C41 C40 123.6(7) . . ?
N13 C41 N14 115.1(7) . . ?
C40 C41 N14 121.2(8) . . ?
C43 N14 C41 118.3(6) . . ?
C43 N14 C42 120.1(7) . . ?
C41 N14 C42 114.0(7) . . ?
C47 N15 C43 117.6(7) . . ?
C47 N15 Ag3 106.9(5) . . ?
C43 N15 Ag3 134.6(5) . . ?
N15 C43 C44 122.8(8) . . ?
N15 C43 N14 116.7(7) . . ?
C44 C43 N14 120.5(7) . . ?
C45 C44 C43 117.6(8) . . ?
C46 C45 C44 120.6(8) . . ?
C45 C46 C47 118.3(9) . . ?
N15 C47 C46 123.0(8) . . ?
N15 C47 N16 116.1(7) . . ?
C46 C47 N16 120.9(7) . . ?
C1 N16 C47 114.4(6) . . ?
C1 N16 C48 117.6(7) . . ?
C47 N16 C48 114.3(7) . . ?
O1 S1 O2 113.3(5) . . ?
O1 S1 O3 115.7(5) . . ?
O2 S1 O3 117.1(5) . . ?
O1 S1 C49 100.7(5) . . ?
O2 S1 C49 101.9(6) . . ?
O3 S1 C49 105.2(5) . . ?
S1 O1 Ag1 132.1(5) . . ?
F12 C49 F11 105.6(11) . . ?
F12 C49 F13 108.2(9) . . ?
F11 C49 F13 107.1(11) . . ?
F12 C49 S1 112.2(10) . . ?
F11 C49 S1 111.3(8) . . ?
F13 C49 S1 112.1(8) . . ?
O4 S2 O6 116.5(6) . . ?
O4 S2 O5 112.3(8) . . ?
O6 S2 O5 114.9(6) . . ?
O4 S2 C50 103.4(6) . . ?
O6 S2 C50 106.1(5) . . ?
O5 S2 C50 101.5(5) . . ?
F21 C50 F23 107.9(9) . . ?
F21 C50 F22 105.9(10) . . ?
F23 C50 F22 107.8(9) . . ?
F21 C50 S2 110.9(8) . . ?
F23 C50 S2 112.4(8) . . ?
F22 C50 S2 111.6(7) . . ?
O8 S3 O7 113.7(5) . . ?
O8 S3 O9 114.6(5) . . ?
O7 S3 O9 115.6(5) . . ?
O8 S3 C51 102.7(6) . . ?
O7 S3 C51 104.7(5) . . ?
O9 S3 C51 103.6(5) . . ?
F33 C51 F32 108.8(10) . . ?
F33 C51 F31 106.5(9) . . ?
F32 C51 F31 108.0(11) . . ?
F33 C51 S3 111.6(9) . . ?
F32 C51 S3 111.5(7) . . ?
F31 C51 S3 110.3(8) . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        27.45
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.342
_refine_diff_density_min         -1.020
_refine_diff_density_rms         0.177


#===End
_database_code_depnum_ccdc_archive 'CCDC 937747'
#######################################################################
#
#                 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.
#
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#  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
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#  data retrieval see:
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data_Complex2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C63 H69 Ag3 F9 N18 O11.50 S3'
_chemical_formula_weight         1853.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.1897(7)
_cell_length_b                   13.7061(8)
_cell_length_c                   20.5215(11)
_cell_angle_alpha                94.475(4)
_cell_angle_beta                 90.360(4)
_cell_angle_gamma                104.014(5)
_cell_volume                     3587.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    9450
_cell_measurement_theta_min      3.3339
_cell_measurement_theta_max      73.8984

_exptl_crystal_description       Block
_exptl_crystal_colour            Pale-yellow
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.32
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1870
_exptl_absorpt_coefficient_mu    8.157
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.33360
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;


_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Atlas'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27071
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.33
_diffrn_reflns_theta_max         74.06
_reflns_number_total             13900
_reflns_number_gt                10061
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^)+(0.0648P)^2^+12.5483P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13900
_refine_ls_number_parameters     1182
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0627
_refine_ls_wR_factor_ref         0.1726
_refine_ls_wR_factor_gt          0.1520
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.027
_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 0.24986(4) 0.07580(4) 0.16386(2) 0.05745(15) Uani 1 1 d . . .
Ag2 Ag 0.38881(17) 0.30395(18) 0.17993(7) 0.0549(4) Uani 0.922(11) 1 d P A 1
Ag2' Ag 0.421(2) 0.336(2) 0.1631(15) 0.070(5) Uani 0.078(11) 1 d P A 2
Ag3 Ag 0.19213(9) 0.26227(7) 0.29769(9) 0.0658(4) Uani 0.717(5) 1 d P A 1
Ag3' Ag 0.1511(4) 0.2430(2) 0.3362(3) 0.0822(18) Uani 0.283(5) 1 d P A 2
O1W O 0.3381(4) 0.2275(4) 0.30411(19) 0.0609(12) Uani 1 1 d . . .
N1 N 0.3896(4) 0.2791(4) 0.4470(2) 0.0527(13) Uani 1 1 d . . .
C1 C 0.3627(6) 0.1793(5) 0.4521(3) 0.0595(18) Uani 1 1 d . A .
C2 C 0.2623(7) 0.1254(6) 0.4604(4) 0.072(2) Uani 1 1 d . . .
H2A H 0.2473 0.0551 0.4657 0.086 Uiso 1 1 calc R . .
C3 C 0.1841(7) 0.1754(7) 0.4609(4) 0.080(2) Uani 1 1 d . A .
H3A H 0.1140 0.1403 0.4676 0.096 Uiso 1 1 calc R . .
C4 C 0.2078(6) 0.2789(6) 0.4515(3) 0.069(2) Uani 1 1 d . . .
H4A H 0.1545 0.3143 0.4482 0.083 Uiso 1 1 calc R A 2
C5 C 0.3140(6) 0.3274(5) 0.4473(3) 0.0574(17) Uani 1 1 d . A .
N2 N 0.3453(5) 0.4327(4) 0.4410(2) 0.0587(14) Uani 1 1 d . . .
C6 C 0.3028(7) 0.4981(7) 0.4881(4) 0.076(2) Uani 1 1 d . A .
H6A H 0.3279 0.5686 0.4781 0.114 Uiso 1 1 calc R . .
H6B H 0.3261 0.4906 0.5325 0.114 Uiso 1 1 calc R . .
H6C H 0.2263 0.4788 0.4851 0.114 Uiso 1 1 calc R . .
N3 N 0.4583(4) 0.4229(4) 0.3538(2) 0.0502(12) Uani 1 1 d . . .
C7 C 0.4349(5) 0.4754(5) 0.4072(3) 0.0545(16) Uani 1 1 d . A .
C8 C 0.4922(6) 0.5723(6) 0.4275(3) 0.067(2) Uani 1 1 d . . .
H8A H 0.4753 0.6076 0.4660 0.080 Uiso 1 1 calc R A .
C9 C 0.5746(7) 0.6152(6) 0.3897(4) 0.080(3) Uani 1 1 d . A .
H9A H 0.6140 0.6822 0.4014 0.097 Uiso 1 1 calc R . .
C10 C 0.6005(7) 0.5622(6) 0.3351(3) 0.072(2) Uani 1 1 d . . .
H10A H 0.6582 0.5910 0.3095 0.087 Uiso 1 1 calc R A .
C11 C 0.5404(5) 0.4664(5) 0.3188(3) 0.0544(16) Uani 1 1 d . A .
N4 N 0.5587(4) 0.4098(4) 0.2612(2) 0.0517(13) Uani 1 1 d . . .
C12 C 0.6397(6) 0.4628(6) 0.2175(3) 0.0635(18) Uani 1 1 d . A .
H12A H 0.6477 0.4162 0.1803 0.095 Uiso 1 1 calc R . .
H12B H 0.7064 0.4866 0.2418 0.095 Uiso 1 1 calc R . .
H12C H 0.6182 0.5205 0.2016 0.095 Uiso 1 1 calc R . .
N5 N 0.5226(4) 0.2461(4) 0.2135(3) 0.0537(13) Uani 1 1 d . . .
C13 C 0.5681(5) 0.3092(5) 0.2651(3) 0.0528(15) Uani 1 1 d . A .
C14 C 0.6228(6) 0.2788(6) 0.3141(3) 0.067(2) Uani 1 1 d . . .
H14A H 0.6519 0.3237 0.3508 0.080 Uiso 1 1 calc R A .
C15 C 0.6338(7) 0.1807(7) 0.3078(4) 0.081(3) Uani 1 1 d . A .
H15A H 0.6712 0.1575 0.3406 0.097 Uiso 1 1 calc R . .
C16 C 0.5915(7) 0.1172(6) 0.2551(4) 0.077(2) Uani 1 1 d . . .
H16A H 0.6001 0.0502 0.2507 0.092 Uiso 1 1 calc R A .
C17 C 0.5345(6) 0.1518(6) 0.2069(4) 0.0632(18) Uani 1 1 d . A .
N6 N 0.4856(5) 0.0908(5) 0.1534(3) 0.0726(17) Uani 1 1 d . . .
C18 C 0.5064(9) -0.0106(6) 0.1390(6) 0.102(3) Uani 1 1 d . A .
H18A H 0.5272 -0.0348 0.1794 0.152 Uiso 1 1 calc R . .
H18B H 0.5628 -0.0059 0.1076 0.152 Uiso 1 1 calc R . .
H18C H 0.4430 -0.0578 0.1203 0.152 Uiso 1 1 calc R . .
N7 N 0.3599(5) 0.1435(4) 0.0941(3) 0.0577(14) Uani 1 1 d . A .
C19 C 0.4584(6) 0.1337(5) 0.0969(4) 0.0615(18) Uani 1 1 d . A .
C20 C 0.5274(7) 0.1616(7) 0.0478(4) 0.077(2) Uani 1 1 d . . .
H20A H 0.5970 0.1539 0.0505 0.093 Uiso 1 1 calc R A .
C21 C 0.4925(8) 0.2010(8) -0.0056(4) 0.091(3) Uani 1 1 d . A .
H21A H 0.5380 0.2192 -0.0408 0.109 Uiso 1 1 calc R . .
C22 C 0.3935(7) 0.2139(7) -0.0082(4) 0.075(2) Uani 1 1 d . . .
H22A H 0.3699 0.2424 -0.0444 0.090 Uiso 1 1 calc R A .
C23 C 0.3278(6) 0.1850(5) 0.0427(3) 0.0545(16) Uani 1 1 d . A .
N8 N 0.2222(5) 0.1915(4) 0.0428(2) 0.0568(13) Uani 1 1 d . . .
C24 C 0.1591(7) 0.1358(6) -0.0148(3) 0.075(2) Uani 1 1 d . A .
H24A H 0.1833 0.0751 -0.0278 0.113 Uiso 1 1 calc R . .
H24B H 0.1672 0.1792 -0.0511 0.113 Uiso 1 1 calc R . .
H24C H 0.0853 0.1164 -0.0033 0.113 Uiso 1 1 calc R . .
N9 N 0.2616(4) 0.3337(4) 0.1178(2) 0.0448(11) Uani 1 1 d . . .
C25 C 0.1977(5) 0.2783(5) 0.0699(3) 0.0527(15) Uani 1 1 d . A .
C26 C 0.1073(6) 0.3062(6) 0.0499(4) 0.0644(18) Uani 1 1 d . . .
H26A H 0.0604 0.2655 0.0177 0.077 Uiso 1 1 calc R A .
C27 C 0.0887(6) 0.3944(6) 0.0784(4) 0.072(2) Uani 1 1 d . A .
H27A H 0.0279 0.4145 0.0658 0.087 Uiso 1 1 calc R . .
C28 C 0.1562(6) 0.4532(6) 0.1246(4) 0.0670(19) Uani 1 1 d . . .
H28A H 0.1445 0.5151 0.1431 0.080 Uiso 1 1 calc R A .
C29 C 0.2417(5) 0.4204(5) 0.1434(3) 0.0478(14) Uani 1 1 d . A .
N10 N 0.3175(4) 0.4751(4) 0.1919(3) 0.0508(12) Uani 1 1 d . . .
C30 C 0.4051(6) 0.5462(5) 0.1632(4) 0.0634(18) Uani 1 1 d . A .
H30A H 0.4551 0.5811 0.1980 0.095 Uiso 1 1 calc R . .
H30B H 0.3782 0.5957 0.1409 0.095 Uiso 1 1 calc R . .
H30C H 0.4402 0.5088 0.1317 0.095 Uiso 1 1 calc R . .
N11 N 0.1893(4) 0.4457(4) 0.2690(3) 0.0544(13) Uani 1 1 d . . .
C31 C 0.2764(5) 0.5105(5) 0.2496(3) 0.0515(15) Uani 1 1 d . A .
C32 C 0.3219(6) 0.6008(5) 0.2845(3) 0.0560(16) Uani 1 1 d . . .
H32A H 0.3855 0.6430 0.2715 0.067 Uiso 1 1 calc R A .
C33 C 0.2710(6) 0.6276(5) 0.3393(3) 0.0625(18) Uani 1 1 d . A .
H33A H 0.2997 0.6896 0.3643 0.075 Uiso 1 1 calc R . .
C34 C 0.1789(6) 0.5651(6) 0.3580(4) 0.0659(18) Uani 1 1 d . . .
H34A H 0.1432 0.5835 0.3953 0.079 Uiso 1 1 calc R A .
C35 C 0.1402(6) 0.4746(5) 0.3207(4) 0.0609(17) Uani 1 1 d . A .
N12 N 0.0478(5) 0.4043(5) 0.3362(3) 0.0717(17) Uani 1 1 d . . .
C36 C -0.0177(8) 0.4379(8) 0.3877(5) 0.106(4) Uani 1 1 d . A .
H36A H 0.0273 0.4843 0.4206 0.159 Uiso 1 1 calc R . .
H36B H -0.0579 0.3791 0.4084 0.159 Uiso 1 1 calc R . .
H36C H -0.0657 0.4723 0.3679 0.159 Uiso 1 1 calc R . .
N13 N 0.0290(4) 0.2549(5) 0.2676(3) 0.0573(13) Uani 1 1 d . . .
C37 C -0.0075(6) 0.3356(6) 0.2844(4) 0.0648(18) Uani 1 1 d . A .
C38 C -0.0943(7) 0.3538(8) 0.2536(5) 0.089(3) Uani 1 1 d . . .
H38A H -0.1187 0.4120 0.2666 0.107 Uiso 1 1 calc R A .
C39 C -0.1435(7) 0.2867(8) 0.2047(5) 0.096(3) Uani 1 1 d . A .
H39A H -0.2031 0.2980 0.1831 0.115 Uiso 1 1 calc R . .
C40 C -0.1080(6) 0.2015(7) 0.1857(4) 0.072(2) Uani 1 1 d . . .
H40A H -0.1420 0.1544 0.1512 0.086 Uiso 1 1 calc R A .
C41 C -0.0199(5) 0.1875(5) 0.2193(3) 0.0560(16) Uani 1 1 d . A .
N14 N 0.0244(5) 0.1070(5) 0.2026(3) 0.0583(14) Uani 1 1 d . . .
C42 C -0.0105(7) 0.0451(7) 0.1410(4) 0.077(2) Uani 1 1 d . A .
H42A H -0.0310 0.0871 0.1091 0.116 Uiso 1 1 calc R . .
H42B H -0.0705 -0.0103 0.1490 0.116 Uiso 1 1 calc R . .
H42C H 0.0467 0.0175 0.1236 0.116 Uiso 1 1 calc R . .
N15 N 0.1479(5) 0.0268(4) 0.2415(2) 0.0539(13) Uani 1 1 d . A .
C43 C 0.0587(6) 0.0563(5) 0.2534(3) 0.0565(17) Uani 1 1 d . A .
C44 C 0.0039(6) 0.0358(6) 0.3098(4) 0.069(2) Uani 1 1 d . . .
H44A H -0.0588 0.0571 0.3175 0.083 Uiso 1 1 calc R A .
C45 C 0.0427(7) -0.0164(6) 0.3548(4) 0.072(2) Uani 1 1 d . A .
H45A H 0.0075 -0.0298 0.3946 0.087 Uiso 1 1 calc R . .
C46 C 0.1318(7) -0.0492(6) 0.3427(4) 0.073(2) Uani 1 1 d . . .
H46A H 0.1577 -0.0865 0.3732 0.088 Uiso 1 1 calc R A .
C47 C 0.1827(6) -0.0271(5) 0.2855(3) 0.0595(18) Uani 1 1 d . A .
N16 N 0.2727(5) -0.0600(4) 0.2666(3) 0.0640(16) Uani 1 1 d . . .
C48 C 0.2502(8) -0.1528(6) 0.2206(4) 0.084(3) Uani 1 1 d . A .
H48A H 0.3155 -0.1727 0.2111 0.126 Uiso 1 1 calc R . .
H48B H 0.2188 -0.1393 0.1799 0.126 Uiso 1 1 calc R . .
H48C H 0.2016 -0.2075 0.2407 0.126 Uiso 1 1 calc R . .
N17 N 0.3659(5) 0.0347(4) 0.3560(3) 0.0575(14) Uani 1 1 d . . .
C49 C 0.3547(6) -0.0469(5) 0.3137(3) 0.0612(18) Uani 1 1 d . A .
C50 C 0.4218(7) -0.1107(5) 0.3115(4) 0.070(2) Uani 1 1 d . . .
H50A H 0.4140 -0.1655 0.2790 0.085 Uiso 1 1 calc R A .
C51 C 0.5011(7) -0.0905(6) 0.3592(4) 0.077(2) Uani 1 1 d . A .
H51A H 0.5493 -0.1319 0.3593 0.092 Uiso 1 1 calc R . .
C52 C 0.5107(6) -0.0120(6) 0.4060(4) 0.068(2) Uani 1 1 d . . .
H52A H 0.5637 0.0004 0.4393 0.082 Uiso 1 1 calc R A .
C53 C 0.4406(6) 0.0495(5) 0.4035(3) 0.0590(18) Uani 1 1 d . A .
N18 N 0.4450(5) 0.1313(4) 0.4497(3) 0.0603(15) Uani 1 1 d . . .
C54 C 0.5462(6) 0.1882(6) 0.4781(4) 0.073(2) Uani 1 1 d . A .
H54A H 0.5977 0.1477 0.4715 0.109 Uiso 1 1 calc R . .
H54B H 0.5393 0.2040 0.5250 0.109 Uiso 1 1 calc R . .
H54C H 0.5694 0.2511 0.4567 0.109 Uiso 1 1 calc R . .
S1 S 0.18746(17) -0.13151(18) 0.02657(11) 0.0786(6) Uani 1 1 d . . .
C55 C 0.1876(7) -0.2630(7) 0.0348(4) 0.077(2) Uani 1 1 d . B .
O1 O 0.2944(10) -0.0821(10) 0.0242(13) 0.168(11) Uani 0.608(15) 1 d P B 1
O2 O 0.1232(12) -0.1350(8) -0.0250(6) 0.097(6) Uani 0.608(15) 1 d P B 1
O3 O 0.1391(15) -0.1090(14) 0.0883(5) 0.152(9) Uani 0.608(15) 1 d P B 1
F11 F 0.2284(19) -0.2954(9) -0.0199(8) 0.142(7) Uani 0.608(15) 1 d P B 1
F12 F 0.2469(17) -0.2800(13) 0.0832(10) 0.146(9) Uani 0.608(15) 1 d P B 1
F13 F 0.0976(12) -0.3234(15) 0.0421(11) 0.128(8) Uani 0.608(15) 1 d P B 1
O1' O 0.0863(14) -0.1241(15) 0.0198(18) 0.135(13) Uani 0.392(15) 1 d P B 2
O2' O 0.2385(15) -0.1229(15) -0.0407(7) 0.093(7) Uani 0.392(15) 1 d P B 2
O3' O 0.2564(13) -0.0794(10) 0.0716(6) 0.062(5) Uani 0.392(15) 1 d P B 2
F11' F 0.2719(17) -0.278(2) 0.0460(17) 0.136(14) Uani 0.392(15) 1 d P B 2
F12' F 0.126(2) -0.2865(15) 0.0848(18) 0.145(12) Uani 0.392(15) 1 d P B 2
F13' F 0.136(2) -0.326(2) -0.0083(18) 0.149(15) Uani 0.392(15) 1 d P B 2
S2 S -0.3757(6) -0.2381(5) 0.1983(4) 0.0552(17) Uani 0.465(8) 1 d PD C 1
O4 O -0.3971(11) -0.2722(9) 0.2617(5) 0.086(4) Uani 0.465(8) 1 d PD C 1
O5 O -0.4576(8) -0.2019(8) 0.1702(5) 0.062(3) Uani 0.465(8) 1 d PD C 1
O6 O -0.3338(14) -0.3044(10) 0.1548(7) 0.064(4) Uani 0.465(8) 1 d PD C 1
F21 F -0.2542(9) -0.0755(9) 0.1568(5) 0.080(3) Uani 0.465(8) 1 d PD C 1
F22 F -0.1777(15) -0.1472(18) 0.2259(9) 0.088(5) Uani 0.465(8) 1 d PD C 1
F23 F -0.2898(16) -0.0641(16) 0.2595(9) 0.082(5) Uani 0.465(8) 1 d PD C 1
C56 C -0.2720(12) -0.1294(12) 0.2105(6) 0.058(4) Uani 0.465(8) 1 d PD C 1
S2' S -0.3435(6) -0.2059(6) 0.1944(4) 0.0709(19) Uani 0.535(8) 1 d PD C 2
O4' O -0.4433(9) -0.2108(9) 0.2216(6) 0.093(4) Uani 0.535(8) 1 d PD C 2
O5' O -0.3169(12) -0.1360(11) 0.1455(5) 0.096(4) Uani 0.535(8) 1 d PD C 2
O6' O -0.3184(16) -0.3003(13) 0.1794(9) 0.117(8) Uani 0.535(8) 1 d PD C 2
F21' F -0.2720(10) -0.1980(8) 0.3130(5) 0.123(5) Uani 0.535(8) 1 d PD C 2
F22' F -0.1536(14) -0.1468(17) 0.2437(11) 0.119(8) Uani 0.535(8) 1 d PD C 2
F23' F -0.2573(14) -0.0550(13) 0.2749(9) 0.087(5) Uani 0.535(8) 1 d PD C 2
C56' C -0.2511(12) -0.1489(9) 0.2592(7) 0.071(4) Uani 0.535(8) 1 d PD C 2
O10 O 0.5000 0.5000 0.0000 0.114(4) Uani 1 2 d S . 1
C58 C 0.576(2) 0.463(2) 0.0226(14) 0.169(12) Uani 0.665(7) 1 d P D 1
H58A H 0.5480 0.4354 0.0638 0.203 Uiso 0.665(7) 1 calc PR D 1
H58B H 0.5731 0.4023 -0.0081 0.203 Uiso 0.665(7) 1 calc PR D 1
C59 C 0.6692(13) 0.4920(13) 0.0355(6) 0.138(5) Uani 1 1 d . D 1
H59A H 0.6968 0.4353 0.0474 0.207 Uiso 1 1 calc R D 1
H59B H 0.6803 0.5438 0.0723 0.207 Uiso 1 1 calc R D 1
H59C H 0.7056 0.5207 -0.0027 0.207 Uiso 1 1 calc R D 1
C58' C 0.601(2) 0.5470(17) 0.0278(10) 0.059(5) Uani 0.335(7) 1 d PD D 2
H58C H 0.598(18) 0.579(12) 0.071(3) 0.071 Uiso 0.335(7) 1 d PD D 2
H58D H 0.603(18) 0.594(10) -0.005(6) 0.071 Uiso 0.335(7) 1 d PD D 2
O11 O 0.9038(6) 0.6269(6) 0.2630(4) 0.116(2) Uani 1 1 d . . .
C60 C 0.9502(11) 0.6969(11) 0.3142(7) 0.145(6) Uani 1 1 d . . .
H60A H 0.9661 0.7657 0.2990 0.173 Uiso 1 1 calc R . .
H60B H 1.0168 0.6826 0.3282 0.173 Uiso 1 1 calc R . .
C61 C 0.8757(10) 0.6914(14) 0.3729(7) 0.173(8) Uani 1 1 d . . .
H61A H 0.9089 0.7410 0.4084 0.260 Uiso 1 1 calc R . .
H61B H 0.8610 0.6236 0.3883 0.260 Uiso 1 1 calc R . .
H61C H 0.8101 0.7062 0.3590 0.260 Uiso 1 1 calc R . .
C62 C 0.9656(11) 0.6419(10) 0.2060(8) 0.161(7) Uani 1 1 d . . .
H62A H 1.0325 0.6232 0.2133 0.193 Uiso 1 1 calc R . .
H62B H 0.9815 0.7139 0.1971 0.193 Uiso 1 1 calc R . .
C63 C 0.9012(8) 0.5718(9) 0.1431(6) 0.109(4) Uani 1 1 d . . .
H63A H 0.9446 0.5801 0.1044 0.164 Uiso 1 1 calc R . .
H63B H 0.8366 0.5927 0.1348 0.164 Uiso 1 1 calc R . .
H63C H 0.8838 0.5008 0.1527 0.164 Uiso 1 1 calc R . .
S3 S -0.1708(3) 0.2238(4) 0.50372(17) 0.1001(17) Uani 0.665(7) 1 d PD D 1
O7 O -0.2213(8) 0.1922(10) 0.5555(4) 0.096(4) Uani 0.665(7) 1 d PD D 1
O8 O -0.0755(11) 0.2835(15) 0.5300(9) 0.223(15) Uani 0.665(7) 1 d PD D 1
O9 O -0.2111(10) 0.2916(10) 0.4740(10) 0.103(5) Uani 0.665(7) 1 d PD D 1
F31 F -0.2222(9) 0.0886(8) 0.4273(7) 0.134(5) Uani 0.665(7) 1 d PD D 1
F32 F -0.0630(7) 0.1869(6) 0.4071(3) 0.093(3) Uani 0.665(7) 1 d PD D 1
F33 F -0.0848(9) 0.0824(10) 0.4882(7) 0.096(4) Uani 0.665(7) 1 d PD D 1
C57 C -0.1258(6) 0.1404(7) 0.4531(4) 0.0155(15) Uiso 0.665(7) 1 d PD D 1
S3' S -0.1530(8) 0.1398(8) 0.4722(6) 0.119(5) Uani 0.335(7) 1 d PD D 2
O7' O -0.212(2) 0.064(2) 0.4085(12) 0.088(8) Uiso 0.335(7) 1 d PD D 2
O8' O -0.056(3) 0.097(4) 0.5021(15) 0.136(17) Uani 0.335(7) 1 d PD D 2
O9' O -0.2457(16) 0.1344(17) 0.5333(10) 0.087(7) Uiso 0.335(7) 1 d PD D 2
F31' F -0.0585(16) 0.3060(13) 0.5249(10) 0.099(8) Uani 0.335(7) 1 d PD D 2
F32' F -0.2154(19) 0.2880(18) 0.4505(12) 0.095(8) Uiso 0.335(7) 1 d PD D 2
F33' F -0.0498(18) 0.254(2) 0.4038(11) 0.194(14) Uiso 0.335(7) 1 d PD D 2
C57' C -0.1138(10) 0.2644(14) 0.4626(6) 0.045(4) Uani 0.335(7) 1 d PD D 2

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 0.0742(3) 0.0516(3) 0.0467(3) 0.00936(19) -0.0063(2) 0.0142(2)
Ag2 0.0732(6) 0.0510(7) 0.0424(4) 0.0004(3) -0.0169(5) 0.0203(5)
Ag2' 0.068(9) 0.068(7) 0.070(8) 0.014(8) -0.045(6) 0.006(8)
Ag3 0.0636(6) 0.0556(5) 0.0701(8) -0.0018(4) -0.0181(5) 0.0016(4)
Ag3' 0.083(2) 0.0661(15) 0.094(3) -0.0207(16) -0.057(2) 0.0206(15)
O1W 0.073(3) 0.068(3) 0.032(2) 0.0036(19) -0.010(2) -0.002(2)
N1 0.061(3) 0.057(3) 0.031(2) 0.005(2) -0.010(2) -0.004(3)
C1 0.072(5) 0.056(4) 0.037(3) 0.005(3) -0.011(3) -0.011(3)
C2 0.072(5) 0.058(4) 0.069(5) 0.009(4) -0.008(4) -0.015(4)
C3 0.081(6) 0.079(6) 0.061(5) 0.003(4) 0.002(4) -0.018(5)
C4 0.064(5) 0.082(5) 0.051(4) -0.005(4) -0.009(3) 0.001(4)
C5 0.068(4) 0.057(4) 0.034(3) -0.004(3) -0.010(3) -0.009(3)
N2 0.071(4) 0.061(3) 0.038(3) -0.003(2) -0.006(2) 0.006(3)
C6 0.094(6) 0.078(5) 0.051(4) -0.005(4) 0.003(4) 0.016(5)
N3 0.064(3) 0.054(3) 0.028(2) 0.006(2) -0.013(2) 0.006(3)
C7 0.065(4) 0.059(4) 0.033(3) 0.006(3) -0.012(3) 0.002(3)
C8 0.087(5) 0.062(4) 0.037(3) -0.004(3) -0.013(3) -0.007(4)
C9 0.107(7) 0.062(5) 0.051(4) -0.001(3) -0.018(4) -0.019(4)
C10 0.083(5) 0.072(5) 0.042(3) 0.004(3) -0.009(3) -0.021(4)
C11 0.062(4) 0.056(4) 0.040(3) 0.011(3) -0.011(3) 0.001(3)
N4 0.056(3) 0.061(3) 0.035(2) 0.016(2) -0.004(2) 0.006(3)
C12 0.068(4) 0.071(5) 0.051(4) 0.026(3) 0.005(3) 0.010(4)
N5 0.061(3) 0.054(3) 0.047(3) 0.013(2) -0.009(2) 0.015(3)
C13 0.054(4) 0.062(4) 0.043(3) 0.021(3) -0.003(3) 0.009(3)
C14 0.060(4) 0.092(6) 0.051(4) 0.031(4) -0.008(3) 0.015(4)
C15 0.074(5) 0.094(6) 0.085(6) 0.046(5) -0.010(4) 0.027(5)
C16 0.077(5) 0.065(5) 0.091(6) 0.033(4) -0.008(5) 0.016(4)
C17 0.071(5) 0.061(4) 0.063(4) 0.020(3) -0.001(4) 0.022(4)
N6 0.083(4) 0.057(4) 0.086(5) 0.005(3) -0.007(4) 0.031(3)
C18 0.116(8) 0.054(5) 0.140(9) -0.002(5) -0.008(7) 0.036(5)
N7 0.071(4) 0.056(3) 0.048(3) 0.001(2) 0.006(3) 0.020(3)
C19 0.076(5) 0.051(4) 0.059(4) -0.008(3) -0.010(4) 0.021(4)
C20 0.075(5) 0.078(5) 0.076(5) -0.008(4) 0.017(4) 0.017(4)
C21 0.087(6) 0.127(8) 0.058(5) -0.003(5) 0.009(4) 0.029(6)
C22 0.086(6) 0.089(6) 0.046(4) 0.000(4) 0.001(4) 0.017(5)
C23 0.074(4) 0.054(4) 0.034(3) -0.006(3) -0.008(3) 0.016(3)
N8 0.069(4) 0.059(3) 0.040(3) 0.000(2) -0.006(2) 0.014(3)
C24 0.097(6) 0.082(5) 0.042(4) -0.018(3) -0.026(4) 0.018(5)
N9 0.052(3) 0.044(3) 0.035(2) 0.005(2) -0.004(2) 0.005(2)
C25 0.062(4) 0.057(4) 0.039(3) 0.011(3) -0.001(3) 0.011(3)
C26 0.063(4) 0.072(5) 0.056(4) 0.003(3) -0.020(3) 0.013(4)
C27 0.065(5) 0.073(5) 0.081(5) 0.004(4) -0.022(4) 0.024(4)
C28 0.069(5) 0.058(4) 0.076(5) 0.005(4) -0.013(4) 0.021(4)
C29 0.052(3) 0.047(3) 0.044(3) 0.011(3) -0.001(3) 0.010(3)
N10 0.051(3) 0.041(3) 0.057(3) 0.007(2) -0.002(2) 0.004(2)
C30 0.059(4) 0.051(4) 0.075(5) 0.004(3) 0.008(4) 0.002(3)
N11 0.055(3) 0.045(3) 0.059(3) 0.004(2) 0.001(3) 0.003(2)
C31 0.058(4) 0.043(3) 0.054(4) 0.011(3) -0.002(3) 0.014(3)
C32 0.066(4) 0.038(3) 0.059(4) 0.005(3) -0.009(3) 0.002(3)
C33 0.079(5) 0.051(4) 0.052(4) -0.004(3) -0.012(3) 0.007(4)
C34 0.074(5) 0.063(4) 0.059(4) -0.001(3) 0.004(4) 0.015(4)
C35 0.066(4) 0.056(4) 0.059(4) 0.004(3) 0.007(3) 0.013(3)
N12 0.071(4) 0.067(4) 0.067(4) -0.005(3) 0.016(3) 0.002(3)
C36 0.096(7) 0.112(8) 0.099(7) -0.018(6) 0.045(6) 0.009(6)
N13 0.053(3) 0.064(4) 0.052(3) 0.009(3) 0.002(2) 0.006(3)
C37 0.051(4) 0.070(5) 0.067(4) 0.006(4) 0.006(3) 0.003(3)
C38 0.063(5) 0.089(6) 0.115(8) -0.010(6) 0.001(5) 0.022(5)
C39 0.061(5) 0.107(8) 0.120(8) -0.009(6) -0.023(5) 0.026(5)
C40 0.059(4) 0.081(5) 0.069(5) -0.004(4) -0.016(4) 0.005(4)
C41 0.048(4) 0.067(4) 0.047(3) 0.006(3) -0.007(3) 0.003(3)
N14 0.064(3) 0.064(4) 0.045(3) 0.001(2) -0.013(3) 0.012(3)
C42 0.081(6) 0.085(6) 0.062(4) -0.009(4) -0.029(4) 0.019(4)
N15 0.067(4) 0.041(3) 0.046(3) 0.006(2) -0.013(2) -0.004(2)
C43 0.066(4) 0.042(3) 0.050(4) -0.001(3) -0.018(3) -0.008(3)
C44 0.064(4) 0.066(5) 0.059(4) 0.001(3) -0.014(3) -0.020(4)
C45 0.075(5) 0.068(5) 0.057(4) 0.024(4) -0.013(4) -0.023(4)
C46 0.087(6) 0.056(4) 0.059(4) 0.027(3) -0.025(4) -0.022(4)
C47 0.074(5) 0.039(3) 0.055(4) 0.008(3) -0.019(3) -0.008(3)
N16 0.087(4) 0.040(3) 0.059(3) 0.007(2) -0.024(3) 0.004(3)
C48 0.126(8) 0.047(4) 0.073(5) 0.004(4) -0.037(5) 0.011(4)
N17 0.074(4) 0.043(3) 0.050(3) 0.019(2) -0.016(3) -0.001(3)
C49 0.083(5) 0.040(3) 0.055(4) 0.021(3) -0.016(3) -0.001(3)
C50 0.097(6) 0.044(4) 0.070(5) 0.018(3) -0.017(4) 0.012(4)
C51 0.093(6) 0.054(4) 0.084(5) 0.033(4) -0.010(5) 0.011(4)
C52 0.074(5) 0.057(4) 0.071(5) 0.032(4) -0.018(4) 0.002(4)
C53 0.067(4) 0.051(4) 0.052(4) 0.025(3) -0.016(3) -0.006(3)
N18 0.069(4) 0.055(3) 0.047(3) 0.015(2) -0.022(3) -0.006(3)
C54 0.077(5) 0.069(5) 0.063(4) 0.017(4) -0.029(4) -0.003(4)
S1 0.0654(12) 0.0836(14) 0.0821(13) -0.0235(11) -0.0191(10) 0.0192(10)
C55 0.067(5) 0.080(6) 0.077(5) -0.012(4) -0.007(4) 0.007(5)
O1 0.063(7) 0.076(8) 0.34(3) -0.065(13) 0.008(12) -0.004(6)
O2 0.138(14) 0.058(6) 0.076(7) 0.015(5) -0.047(8) -0.015(7)
O3 0.25(2) 0.225(17) 0.057(6) 0.020(8) 0.006(9) 0.195(17)
F11 0.232(19) 0.083(7) 0.120(10) -0.003(7) 0.055(13) 0.058(11)
F12 0.17(2) 0.108(11) 0.169(15) -0.042(10) -0.118(14) 0.070(11)
F13 0.098(9) 0.116(14) 0.161(16) 0.088(13) -0.030(11) -0.015(9)
O1' 0.053(10) 0.083(12) 0.26(4) -0.041(18) 0.027(15) 0.019(8)
O2' 0.102(15) 0.143(17) 0.048(8) 0.015(9) 0.004(8) 0.056(12)
O3' 0.075(11) 0.055(8) 0.042(6) 0.002(5) -0.008(6) -0.013(7)
F11' 0.055(9) 0.132(19) 0.23(3) 0.14(2) -0.019(15) 0.010(10)
F12' 0.14(2) 0.072(11) 0.21(3) 0.019(15) 0.08(2) -0.010(12)
F13' 0.15(2) 0.104(17) 0.20(3) -0.106(19) -0.11(2) 0.081(17)
S2 0.073(5) 0.045(3) 0.047(2) 0.019(2) -0.004(3) 0.009(3)
O4 0.116(11) 0.080(8) 0.060(7) 0.041(6) 0.006(7) 0.010(7)
O5 0.070(7) 0.056(6) 0.058(7) 0.006(5) -0.007(5) 0.010(5)
O6 0.090(11) 0.033(6) 0.071(9) -0.003(6) -0.022(8) 0.022(6)
F21 0.089(8) 0.075(7) 0.073(7) 0.026(5) 0.014(6) 0.005(6)
F22 0.064(10) 0.087(10) 0.117(12) -0.009(9) -0.016(10) 0.031(8)
F23 0.084(12) 0.064(8) 0.090(11) -0.007(7) -0.007(9) 0.010(8)
C56 0.063(10) 0.064(10) 0.048(8) -0.002(7) -0.004(7) 0.018(8)
S2' 0.083(5) 0.072(5) 0.059(3) -0.002(3) -0.016(3) 0.022(4)
O4' 0.075(8) 0.101(9) 0.089(9) -0.025(8) 0.005(7) 0.004(7)
O5' 0.130(12) 0.109(11) 0.058(6) 0.031(7) -0.008(7) 0.036(9)
O6' 0.106(12) 0.095(12) 0.144(19) -0.048(12) -0.042(13) 0.031(9)
F21' 0.176(12) 0.095(8) 0.079(6) 0.046(6) -0.045(7) -0.012(7)
F22' 0.091(11) 0.083(9) 0.178(18) 0.024(10) -0.055(10) 0.008(8)
F23' 0.093(12) 0.057(7) 0.101(10) 0.001(6) -0.018(8) 0.001(7)
C56' 0.087(12) 0.051(8) 0.070(10) 0.014(7) -0.022(9) 0.006(8)
O10 0.179(12) 0.112(8) 0.065(5) 0.024(5) 0.013(7) 0.060(9)
C58 0.20(3) 0.19(3) 0.16(2) 0.09(2) 0.05(2) 0.12(3)
C59 0.161(14) 0.187(15) 0.075(7) 0.031(8) -0.013(9) 0.056(13)
C58' 0.076(15) 0.050(12) 0.051(11) 0.014(9) -0.021(10) 0.011(11)
O11 0.112(6) 0.113(6) 0.110(6) -0.028(5) -0.004(5) 0.012(5)
C60 0.114(10) 0.145(12) 0.162(13) -0.047(10) -0.043(10) 0.026(9)
C61 0.090(9) 0.28(2) 0.136(12) -0.075(13) -0.010(8) 0.046(11)
C62 0.133(11) 0.095(8) 0.240(18) -0.015(10) 0.122(12) 0.004(8)
C63 0.071(6) 0.110(8) 0.138(10) 0.032(7) -0.002(6) -0.002(6)
S3 0.103(3) 0.145(4) 0.065(2) 0.008(2) 0.0110(19) 0.055(3)
O7 0.112(8) 0.155(11) 0.046(5) 0.045(6) 0.044(5) 0.069(8)
O8 0.130(15) 0.41(4) 0.17(2) -0.08(2) -0.084(14) 0.18(2)
O9 0.077(7) 0.099(8) 0.162(15) 0.064(9) 0.032(8) 0.060(6)
F31 0.147(10) 0.057(5) 0.187(12) -0.018(7) -0.103(9) 0.011(6)
F32 0.130(7) 0.078(5) 0.076(5) 0.026(4) 0.063(5) 0.028(5)
F33 0.048(5) 0.109(7) 0.153(10) 0.094(7) 0.018(6) 0.033(5)
S3' 0.101(8) 0.081(5) 0.181(12) -0.009(7) -0.057(8) 0.040(6)
O8' 0.08(2) 0.20(4) 0.14(3) 0.10(2) -0.019(18) 0.04(2)
F31' 0.097(14) 0.070(10) 0.097(15) -0.064(10) -0.020(11) -0.021(10)
C57' 0.032(8) 0.067(12) 0.035(8) -0.002(8) 0.018(7) 0.011(8)

_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 N15 2.134(6) . ?
Ag1 N7 2.144(6) . ?
Ag1 Ag2 3.210(3) . ?
Ag2 N5 2.228(5) . ?
Ag2 N9 2.234(5) . ?
Ag2' N9 2.281(14) . ?
Ag2' N5 2.320(16) . ?
Ag2' N10 2.630(14) . ?
Ag3 O1W 2.098(5) . ?
Ag3 N13 2.211(6) . ?
Ag3 N11 2.635(6) . ?
Ag3' N13 2.177(6) . ?
Ag3' C4 2.454(8) . ?
N1 C5 1.324(9) . ?
N1 C1 1.340(9) . ?
C1 C2 1.371(10) . ?
C1 N18 1.397(10) . ?
C2 C3 1.370(13) . ?
C3 C4 1.405(12) . ?
C4 C5 1.404(10) . ?
C5 N2 1.418(9) . ?
N2 C7 1.400(9) . ?
N2 C6 1.472(9) . ?
N3 C7 1.343(8) . ?
N3 C11 1.344(8) . ?
C7 C8 1.390(9) . ?
C8 C9 1.379(11) . ?
C9 C10 1.377(11) . ?
C10 C11 1.375(10) . ?
C11 N4 1.417(9) . ?
N4 C13 1.422(8) . ?
N4 C12 1.488(8) . ?
N5 C17 1.337(9) . ?
N5 C13 1.352(9) . ?
C13 C14 1.381(8) . ?
C14 C15 1.383(12) . ?
C15 C16 1.360(13) . ?
C16 C17 1.416(10) . ?
C17 N6 1.381(10) . ?
N6 C19 1.421(9) . ?
N6 C18 1.488(10) . ?
N7 C19 1.340(9) . ?
N7 C23 1.349(8) . ?
C19 C20 1.376(11) . ?
C20 C21 1.384(13) . ?
C21 C22 1.361(12) . ?
C22 C23 1.381(10) . ?
C23 N8 1.417(9) . ?
N8 C25 1.384(9) . ?
N8 C24 1.486(8) . ?
N9 C29 1.347(8) . ?
N9 C25 1.348(8) . ?
C25 C26 1.405(9) . ?
C26 C27 1.377(11) . ?
C27 C28 1.365(11) . ?
C28 C29 1.375(9) . ?
C29 N10 1.436(8) . ?
N10 C31 1.405(8) . ?
N10 C30 1.477(8) . ?
N11 C35 1.330(9) . ?
N11 C31 1.355(8) . ?
C31 C32 1.380(9) . ?
C32 C33 1.383(10) . ?
C33 C34 1.383(11) . ?
C34 C35 1.388(10) . ?
C35 N12 1.413(9) . ?
N12 C37 1.433(10) . ?
N12 C36 1.483(10) . ?
N13 C37 1.332(10) . ?
N13 C41 1.346(9) . ?
C37 C38 1.387(12) . ?
C38 C39 1.354(13) . ?
C39 C40 1.390(12) . ?
C40 C41 1.407(10) . ?
C41 N14 1.389(9) . ?
N14 C43 1.425(8) . ?
N14 C42 1.472(9) . ?
N15 C43 1.352(9) . ?
N15 C47 1.355(8) . ?
C43 C44 1.382(10) . ?
C44 C45 1.379(11) . ?
C45 C46 1.374(12) . ?
C46 C47 1.373(11) . ?
C47 N16 1.414(10) . ?
N16 C49 1.415(9) . ?
N16 C48 1.492(9) . ?
N17 C49 1.339(9) . ?
N17 C53 1.350(8) . ?
C49 C50 1.385(11) . ?
C50 C51 1.391(11) . ?
C51 C52 1.365(12) . ?
C52 C53 1.397(11) . ?
C53 N18 1.401(9) . ?
N18 C54 1.464(9) . ?
S1 O3' 1.328(12) . ?
S1 O2 1.342(10) . ?
S1 O1' 1.369(19) . ?
S1 O1 1.412(13) . ?
S1 O3 1.467(12) . ?
S1 O2' 1.541(15) . ?
S1 C55 1.823(10) . ?
C55 F11' 1.20(2) . ?
C55 F13' 1.260(17) . ?
C55 F13 1.289(16) . ?
C55 F12' 1.32(3) . ?
C55 F12 1.329(18) . ?
C55 F11 1.338(14) . ?
S2 O4 1.424(10) . ?
S2 O5 1.428(11) . ?
S2 O6 1.432(13) . ?
S2 C56 1.762(17) . ?
F21 C56 1.366(14) . ?
F22 C56 1.365(16) . ?
F23 C56 1.353(16) . ?
S2' O4' 1.421(12) . ?
S2' O6' 1.423(14) . ?
S2' O5' 1.428(13) . ?
S2' C56' 1.795(17) . ?
F21' C56' 1.332(13) . ?
F22' C56' 1.321(15) . ?
F23' C56' 1.323(16) . ?
O10 C58 1.33(2) 2_665 ?
O10 C58 1.33(2) . ?
C58 C59 1.21(3) . ?
O11 C60 1.396(13) . ?
O11 C62 1.429(14) . ?
C60 C61 1.555(19) . ?
C62 C63 1.646(18) . ?
S3 O7 1.305(8) . ?
S3 O9 1.357(10) . ?
S3 O8 1.403(14) . ?
S3 C57 1.700(9) . ?
F31 C57 1.376(11) . ?
F32 C57 1.353(8) . ?
F33 C57 1.317(11) . ?
S3' O8' 1.66(2) . ?
S3' O7' 1.66(2) . ?
S3' C57' 1.69(2) . ?
S3' O9' 1.751(19) . ?
F31' C57' 1.472(17) . ?
F32' C57' 1.476(19) . ?
F33' C57' 1.493(19) . ?

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
N15 Ag1 N7 172.3(2) . . ?
N15 Ag1 Ag2 116.99(14) . . ?
N7 Ag1 Ag2 55.30(15) . . ?
N5 Ag2 N9 162.09(19) . . ?
N5 Ag2 Ag1 88.71(16) . . ?
N9 Ag2 Ag1 83.51(14) . . ?
N9 Ag2' N5 146.6(18) . . ?
N9 Ag2' N10 56.2(3) . . ?
N5 Ag2' N10 140.2(11) . . ?
O1W Ag3 N13 161.1(2) . . ?
O1W Ag3 N11 117.63(19) . . ?
N13 Ag3 N11 74.0(2) . . ?
N13 Ag3' C4 142.5(4) . . ?
C5 N1 C1 117.9(6) . . ?
N1 C1 C2 123.8(8) . . ?
N1 C1 N18 115.7(6) . . ?
C2 C1 N18 120.6(7) . . ?
C3 C2 C1 118.3(8) . . ?
C2 C3 C4 119.9(8) . . ?
C5 C4 C3 116.7(8) . . ?
C5 C4 Ag3' 102.4(5) . . ?
C3 C4 Ag3' 91.3(5) . . ?
N1 C5 C4 123.2(7) . . ?
N1 C5 N2 116.2(6) . . ?
C4 C5 N2 120.5(7) . . ?
C7 N2 C5 121.5(6) . . ?
C7 N2 C6 118.7(6) . . ?
C5 N2 C6 116.8(6) . . ?
C7 N3 C11 118.3(6) . . ?
N3 C7 C8 122.6(6) . . ?
N3 C7 N2 118.1(6) . . ?
C8 C7 N2 119.2(6) . . ?
C9 C8 C7 117.5(7) . . ?
C10 C9 C8 120.8(7) . . ?
C11 C10 C9 118.0(7) . . ?
N3 C11 C10 122.8(7) . . ?
N3 C11 N4 116.1(6) . . ?
C10 C11 N4 121.0(6) . . ?
C11 N4 C13 119.4(5) . . ?
C11 N4 C12 116.3(6) . . ?
C13 N4 C12 109.5(5) . . ?
C17 N5 C13 119.7(6) . . ?
C17 N5 Ag2 128.5(5) . . ?
C13 N5 Ag2 106.5(4) . . ?
C17 N5 Ag2' 135.9(6) . . ?
C13 N5 Ag2' 103.9(5) . . ?
Ag2 N5 Ag2' 16.4(10) . . ?
N5 C13 C14 122.6(7) . . ?
N5 C13 N4 113.0(5) . . ?
C14 C13 N4 124.3(7) . . ?
C13 C14 C15 117.6(8) . . ?
C16 C15 C14 120.5(7) . . ?
C15 C16 C17 119.5(8) . . ?
N5 C17 N6 117.0(6) . . ?
N5 C17 C16 120.0(7) . . ?
N6 C17 C16 123.0(7) . . ?
C17 N6 C19 120.6(6) . . ?
C17 N6 C18 119.4(7) . . ?
C19 N6 C18 113.4(7) . . ?
C19 N7 C23 119.3(6) . . ?
C19 N7 Ag1 119.7(5) . . ?
C23 N7 Ag1 120.4(5) . . ?
N7 C19 C20 122.0(7) . . ?
N7 C19 N6 115.3(7) . . ?
C20 C19 N6 122.7(7) . . ?
C19 C20 C21 118.1(8) . . ?
C22 C21 C20 120.4(8) . . ?
C21 C22 C23 119.0(8) . . ?
N7 C23 C22 121.1(7) . . ?
N7 C23 N8 115.9(6) . . ?
C22 C23 N8 122.9(6) . . ?
C25 N8 C23 119.5(6) . . ?
C25 N8 C24 118.2(6) . . ?
C23 N8 C24 113.7(6) . . ?
C29 N9 C25 119.0(5) . . ?
C29 N9 Ag2 106.8(4) . . ?
C25 N9 Ag2 133.5(4) . . ?
C29 N9 Ag2' 103.5(5) . . ?
C25 N9 Ag2' 136.8(6) . . ?
Ag2 N9 Ag2' 16.6(11) . . ?
N9 C25 N8 117.8(6) . . ?
N9 C25 C26 120.9(6) . . ?
N8 C25 C26 121.3(6) . . ?
C27 C26 C25 118.1(7) . . ?
C28 C27 C26 121.0(7) . . ?
C27 C28 C29 118.1(7) . . ?
N9 C29 C28 122.8(6) . . ?
N9 C29 N10 114.0(5) . . ?
C28 C29 N10 123.2(6) . . ?
C31 N10 C29 115.5(5) . . ?
C31 N10 C30 116.8(5) . . ?
C29 N10 C30 112.5(5) . . ?
C31 N10 Ag2' 134.3(9) . . ?
C29 N10 Ag2' 86.0(4) . . ?
C30 N10 Ag2' 86.4(11) . . ?
C35 N11 C31 118.4(6) . . ?
C35 N11 Ag3 99.9(4) . . ?
C31 N11 Ag3 121.3(4) . . ?
N11 C31 C32 122.8(6) . . ?
N11 C31 N10 113.5(6) . . ?
C32 C31 N10 123.6(6) . . ?
C31 C32 C33 117.4(7) . . ?
C32 C33 C34 120.7(7) . . ?
C33 C34 C35 117.9(7) . . ?
N11 C35 C34 122.6(7) . . ?
N11 C35 N12 114.8(6) . . ?
C34 C35 N12 122.6(7) . . ?
C35 N12 C37 117.8(6) . . ?
C35 N12 C36 117.2(7) . . ?
C37 N12 C36 115.8(7) . . ?
C37 N13 C41 119.3(6) . . ?
C37 N13 Ag3' 111.0(5) . . ?
C41 N13 Ag3' 129.0(5) . . ?
C37 N13 Ag3 117.0(5) . . ?
C41 N13 Ag3 120.9(5) . . ?
Ag3' N13 Ag3 25.73(16) . . ?
N13 C37 C38 122.6(8) . . ?
N13 C37 N12 116.6(7) . . ?
C38 C37 N12 120.9(8) . . ?
C39 C38 C37 118.5(9) . . ?
C38 C39 C40 120.8(9) . . ?
C39 C40 C41 117.6(7) . . ?
N13 C41 N14 116.4(6) . . ?
N13 C41 C40 121.2(7) . . ?
N14 C41 C40 122.3(6) . . ?
C41 N14 C43 119.1(6) . . ?
C41 N14 C42 118.3(6) . . ?
C43 N14 C42 115.8(6) . . ?
C43 N15 C47 118.9(6) . . ?
C43 N15 Ag1 124.0(4) . . ?
C47 N15 Ag1 116.6(5) . . ?
N15 C43 C44 121.9(7) . . ?
N15 C43 N14 115.1(6) . . ?
C44 C43 N14 122.9(7) . . ?
C45 C44 C43 118.0(8) . . ?
C46 C45 C44 120.7(7) . . ?
C47 C46 C45 118.7(7) . . ?
N15 C47 C46 121.7(8) . . ?
N15 C47 N16 114.5(6) . . ?
C46 C47 N16 123.8(7) . . ?
C47 N16 C49 117.7(6) . . ?
C47 N16 C48 114.0(6) . . ?
C49 N16 C48 118.2(6) . . ?
C49 N17 C53 117.6(6) . . ?
N17 C49 C50 124.0(7) . . ?
N17 C49 N16 114.8(6) . . ?
C50 C49 N16 121.0(7) . . ?
C49 C50 C51 116.6(8) . . ?
C52 C51 C50 121.1(8) . . ?
C51 C52 C53 118.2(7) . . ?
N17 C53 C52 122.2(7) . . ?
N17 C53 N18 116.1(6) . . ?
C52 C53 N18 121.8(6) . . ?
C1 N18 C53 119.4(5) . . ?
C1 N18 C54 117.5(6) . . ?
C53 N18 C54 119.6(7) . . ?
O3' S1 O2 150.5(8) . . ?
O3' S1 O1' 125.4(14) . . ?
O2 S1 O1' 46.0(13) . . ?
O3' S1 O1 47.1(9) . . ?
O2 S1 O1 120.3(13) . . ?
O1' S1 O1 146.6(13) . . ?
O3' S1 O3 67.1(10) . . ?
O2 S1 O3 111.6(9) . . ?
O1' S1 O3 65.8(14) . . ?
O1 S1 O3 113.6(12) . . ?
O3' S1 O2' 108.5(10) . . ?
O2 S1 O2' 63.6(9) . . ?
O1' S1 O2' 108.6(17) . . ?
O1 S1 O2' 61.7(12) . . ?
O3 S1 O2' 163.3(9) . . ?
O3' S1 C55 104.7(7) . . ?
O2 S1 C55 104.5(6) . . ?
O1' S1 C55 108.9(10) . . ?
O1 S1 C55 104.1(7) . . ?
O3 S1 C55 99.6(7) . . ?
O2' S1 C55 97.1(8) . . ?
F11' C55 F13' 112(2) . . ?
F11' C55 F13 127.2(14) . . ?
F13' C55 F13 54.1(17) . . ?
F11' C55 F12' 110(2) . . ?
F13' C55 F12' 99(2) . . ?
F13 C55 F12' 45.1(12) . . ?
F11' C55 F12 38.0(16) . . ?
F13' C55 F12 127.5(15) . . ?
F13 C55 F12 104.3(13) . . ?
F12' C55 F12 72.7(18) . . ?
F11' C55 F11 69.2(18) . . ?
F13' C55 F11 55.8(15) . . ?
F13 C55 F11 108.0(13) . . ?
F12' C55 F11 147.4(13) . . ?
F12 C55 F11 104.9(14) . . ?
F11' C55 S1 114.9(13) . . ?
F13' C55 S1 116.1(15) . . ?
F13 C55 S1 116.0(11) . . ?
F12' C55 S1 103.2(11) . . ?
F12 C55 S1 116.3(9) . . ?
F11 C55 S1 106.6(8) . . ?
O4 S2 O5 114.0(8) . . ?
O4 S2 O6 114.3(8) . . ?
O5 S2 O6 114.5(9) . . ?
O4 S2 C56 105.1(8) . . ?
O5 S2 C56 103.7(7) . . ?
O6 S2 C56 103.6(9) . . ?
F23 C56 F22 105.3(12) . . ?
F23 C56 F21 105.5(13) . . ?
F22 C56 F21 104.8(13) . . ?
F23 C56 S2 112.4(14) . . ?
F22 C56 S2 115.0(15) . . ?
F21 C56 S2 113.0(10) . . ?
O4' S2' O6' 115.7(10) . . ?
O4' S2' O5' 114.2(8) . . ?
O6' S2' O5' 114.9(9) . . ?
O4' S2' C56' 105.1(9) . . ?
O6' S2' C56' 102.3(10) . . ?
O5' S2' C56' 102.2(9) . . ?
F22' C56' F23' 108.1(13) . . ?
F22' C56' F21' 107.9(13) . . ?
F23' C56' F21' 106.8(12) . . ?
F22' C56' S2' 112.9(14) . . ?
F23' C56' S2' 110.1(12) . . ?
F21' C56' S2' 110.9(10) . . ?
C58 O10 C58 180(2) 2_665 . ?
C59 C58 O10 138(3) . . ?
C60 O11 C62 110.0(11) . . ?
O11 C60 C61 110.2(12) . . ?
O11 C62 C63 109.5(9) . . ?
O7 S3 O9 113.2(8) . . ?
O7 S3 O8 103.0(9) . . ?
O9 S3 O8 102.4(9) . . ?
O7 S3 C57 119.0(7) . . ?
O9 S3 C57 115.8(9) . . ?
O8 S3 C57 99.6(9) . . ?
F33 C57 F32 115.1(8) . . ?
F33 C57 F31 110.8(9) . . ?
F32 C57 F31 112.0(8) . . ?
F33 C57 S3 109.5(8) . . ?
F32 C57 S3 111.8(7) . . ?
F31 C57 S3 96.0(8) . . ?
O8' S3' O7' 110.5(13) . . ?
O8' S3' C57' 111.2(19) . . ?
O7' S3' C57' 117.5(13) . . ?
O8' S3' O9' 106.8(12) . . ?
O7' S3' O9' 106.9(10) . . ?
C57' S3' O9' 103.0(10) . . ?
F31' C57' F32' 117.2(12) . . ?
F31' C57' F33' 117.9(12) . . ?
F32' C57' F33' 116.1(12) . . ?
F31' C57' S3' 103.0(12) . . ?
F32' C57' S3' 100.6(12) . . ?
F33' C57' S3' 96.2(12) . . ?

_diffrn_measured_fraction_theta_max 0.953
_diffrn_reflns_theta_full        74.06
_diffrn_measured_fraction_theta_full 0.953
_refine_diff_density_max         1.390
_refine_diff_density_min         -1.075
_refine_diff_density_rms         0.094



#===End
_database_code_depnum_ccdc_archive 'CCDC 937748'