# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is (c) The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2006

data_global

_journal_coden_Cambridge         440

loop_
_publ_author_name
'Robert Luckay'
'Susan A. Bourne'
'Michael Habtu'
'Klaus Koch'

_publ_contact_author_name        'Robert Luckay'
_publ_contact_author_address     
;
Chemistry
University of Stellenbosch
Praivate Bag X1
Matieland
7602
Stellenbosch
Western Cape
7602
SOUTH AFRICA
;

_publ_contact_author_email       RCLUCKAY@SUN.AC.ZA

_publ_requested_journal          'New Journal of Chemistry'

_publ_section_title              
;
Competitive bulk liquid membrane transport and solvent
extraction of some transition and post-transition metal ions using
acylthiourea ligands as ionophores
;

data_kagl3a
_database_code_depnum_ccdc_archive 'CCDC 609098'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
;
2(Ag4, 4(C16 H23 O N2 S))
;
_chemical_formula_sum            
;
C128 H184 Ag8 N16 O8 S8
;
_chemical_formula_weight         3194.70

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'
Ag Ag -0.8971 1.1015 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n
_symmetry_space_group_name_Hall  '-P 2yn '

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

_cell_length_a                   17.805(4)
_cell_length_b                   21.759(4)
_cell_length_c                   36.438(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.34(3)
_cell_angle_gamma                90.00
_cell_volume                     14030(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    15130
_cell_measurement_theta_min      2.85
_cell_measurement_theta_max      25.00

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6560
_exptl_absorpt_coefficient_mu    1.269
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7421
_exptl_absorpt_correction_T_max  0.8626
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      193(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  KappaCCD
_diffrn_measurement_method       '\p and \w scans'
_diffrn_reflns_number            41998
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0581
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_theta_min         2.85
_diffrn_reflns_theta_max         25.00
_reflns_number_total             23275
_reflns_number_gt                15130
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_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^)+(0.0749P)^2^+29.0232P] 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         23275
_refine_ls_number_parameters     1334
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0918
_refine_ls_R_factor_gt           0.0537
_refine_ls_wR_factor_ref         0.1689
_refine_ls_wR_factor_gt          0.1438
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.007
_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
C11 C 0.8929(3) 0.4062(3) 0.2190(2) 0.0513(17) Uani 1 1 d . . .
C12 C 0.7648(4) 0.3965(3) 0.2330(2) 0.0463(16) Uani 1 1 d . . .
C13 C 0.7243(4) 0.3649(3) 0.26041(19) 0.0492(16) Uani 1 1 d . . .
C14 C 0.7611(4) 0.3461(4) 0.2940(2) 0.075(2) Uani 1 1 d . . .
H14 H 0.8136 0.3539 0.2994 0.090 Uiso 1 1 calc R . .
C15 C 0.7226(6) 0.3160(5) 0.3198(3) 0.105(3) Uani 1 1 d . . .
H15 H 0.7486 0.3028 0.3426 0.126 Uiso 1 1 calc R . .
C16 C 0.6450(6) 0.3054(5) 0.3118(3) 0.102(3) Uani 1 1 d . . .
H16 H 0.6180 0.2844 0.3290 0.122 Uiso 1 1 calc R . .
C17 C 0.6094(5) 0.3247(4) 0.2800(3) 0.078(2) Uani 1 1 d . . .
H17 H 0.5564 0.3184 0.2750 0.094 Uiso 1 1 calc R . .
C18 C 0.6479(4) 0.3540(3) 0.2537(2) 0.0612(19) Uani 1 1 d . . .
H18 H 0.6212 0.3666 0.2309 0.073 Uiso 1 1 calc R . .
C19 C 1.0266(4) 0.4367(3) 0.2138(2) 0.0631(19) Uiso 1 1 d . . .
C21 C 0.7641(5) 0.4424(4) 0.0626(2) 0.083(3) Uani 1 1 d . . .
C22 C 0.8440(4) 0.3562(4) 0.0704(2) 0.0621(19) Uani 1 1 d . . .
C23 C 0.9241(4) 0.3418(3) 0.08247(19) 0.0581(18) Uani 1 1 d . A .
C24 C 0.9434(4) 0.2839(4) 0.0936(2) 0.066(2) Uani 1 1 d . . .
H24 H 0.9052 0.2535 0.0941 0.079 Uiso 1 1 calc R A .
C25 C 1.0181(5) 0.2685(5) 0.1044(2) 0.087(3) Uani 1 1 d . A .
H25 H 1.0301 0.2276 0.1121 0.104 Uiso 1 1 calc R . .
C26 C 1.0727(5) 0.3090(6) 0.1043(3) 0.095(3) Uani 1 1 d . . .
H26 H 1.1235 0.2974 0.1118 0.114 Uiso 1 1 calc R A .
C27 C 1.0564(5) 0.3672(6) 0.0935(3) 0.104(4) Uani 1 1 d . A .
H27 H 1.0961 0.3963 0.0935 0.124 Uiso 1 1 calc R . .
C28 C 0.9802(5) 0.3861(4) 0.0820(2) 0.087(3) Uani 1 1 d . . .
H28 H 0.9687 0.4270 0.0744 0.104 Uiso 1 1 calc R A .
C31 C 0.5174(4) 0.2537(3) 0.10568(19) 0.0518(16) Uani 1 1 d . . .
C32 C 0.5391(4) 0.3509(3) 0.1354(2) 0.0497(16) Uani 1 1 d . . .
C33 C 0.5229(3) 0.4169(3) 0.1290(2) 0.0513(17) Uani 1 1 d . . .
C34 C 0.4786(4) 0.4364(3) 0.0980(2) 0.075(2) Uani 1 1 d . . .
H34 H 0.4573 0.4072 0.0805 0.090 Uiso 1 1 calc R . .
C35 C 0.4648(6) 0.4976(5) 0.0921(3) 0.109(3) Uani 1 1 d . . .
H35 H 0.4340 0.5109 0.0706 0.131 Uiso 1 1 calc R . .
C36 C 0.4972(6) 0.5410(4) 0.1184(3) 0.110(3) Uani 1 1 d . . .
H36 H 0.4870 0.5837 0.1153 0.131 Uiso 1 1 calc R . .
C37 C 0.5419(5) 0.5207(4) 0.1476(3) 0.094(3) Uani 1 1 d . . .
H37 H 0.5650 0.5495 0.1648 0.113 Uiso 1 1 calc R . .
C38 C 0.5556(4) 0.4594(3) 0.1533(2) 0.070(2) Uani 1 1 d . . .
H38 H 0.5881 0.4464 0.1743 0.084 Uiso 1 1 calc R . .
C39 C 0.3810(4) 0.2378(4) 0.1033(2) 0.074(2) Uiso 1 1 d . . .
C41 C 0.7718(3) 0.1349(3) 0.19761(18) 0.0432(15) Uani 1 1 d . A .
C42 C 0.7821(3) 0.1513(3) 0.13362(18) 0.0437(15) Uani 1 1 d . A .
C43 C 0.7529(3) 0.1246(3) 0.09628(17) 0.0429(15) Uani 1 1 d . . .
C44 C 0.7664(4) 0.1541(3) 0.06458(19) 0.0530(17) Uani 1 1 d . . .
H44 H 0.7942 0.1915 0.0660 0.064 Uiso 1 1 calc R . .
C45 C 0.7401(4) 0.1305(3) 0.0306(2) 0.065(2) Uani 1 1 d . . .
H45 H 0.7494 0.1516 0.0087 0.078 Uiso 1 1 calc R . .
C46 C 0.7001(4) 0.0757(4) 0.0282(2) 0.070(2) Uani 1 1 d . . .
H46 H 0.6830 0.0588 0.0047 0.084 Uiso 1 1 calc R . .
C47 C 0.6852(4) 0.0461(3) 0.0598(2) 0.066(2) Uani 1 1 d . . .
H47 H 0.6564 0.0092 0.0582 0.079 Uiso 1 1 calc R . .
C48 C 0.7122(3) 0.0699(3) 0.09401(19) 0.0516(16) Uani 1 1 d . . .
H48 H 0.7028 0.0489 0.1159 0.062 Uiso 1 1 calc R . .
C49 C 0.7957(4) 0.0257(3) 0.21135(19) 0.0583(18) Uiso 1 1 d . D .
C51 C 1.4858(3) 0.4525(3) 0.38887(17) 0.0501(16) Uani 1 1 d . . .
C52 C 1.4596(3) 0.3583(3) 0.35660(19) 0.0494(16) Uani 1 1 d . . .
C53 C 1.4784(4) 0.2911(3) 0.36160(19) 0.0539(17) Uani 1 1 d . . .
C54 C 1.4433(4) 0.2499(3) 0.3367(2) 0.070(2) Uani 1 1 d . . .
H54 H 1.4072 0.2633 0.3172 0.084 Uiso 1 1 calc R . .
C55 C 1.4621(5) 0.1887(4) 0.3408(3) 0.092(3) Uani 1 1 d . . .
H55 H 1.4395 0.1596 0.3236 0.111 Uiso 1 1 calc R . .
C56 C 1.5125(5) 0.1694(4) 0.3693(3) 0.092(3) Uani 1 1 d . . .
H56 H 1.5243 0.1269 0.3718 0.110 Uiso 1 1 calc R . .
C57 C 1.5461(5) 0.2102(4) 0.3939(2) 0.083(2) Uani 1 1 d . . .
H57 H 1.5816 0.1967 0.4137 0.099 Uiso 1 1 calc R . .
C58 C 1.5284(4) 0.2707(4) 0.3902(2) 0.0644(19) Uani 1 1 d . . .
H58 H 1.5511 0.2993 0.4077 0.077 Uiso 1 1 calc R . .
C59 C 1.6225(4) 0.4633(4) 0.3948(2) 0.076(2) Uiso 1 1 d . . .
C61 C 1.2314(3) 0.5775(3) 0.2967(2) 0.0514(17) Uani 1 1 d . . .
C62 C 1.2196(3) 0.5630(3) 0.35989(18) 0.0462(15) Uani 1 1 d . . .
C63 C 1.2553(3) 0.5844(3) 0.39621(19) 0.0508(16) Uani 1 1 d . . .
C64 C 1.2453(4) 0.5503(3) 0.4276(2) 0.0567(18) Uani 1 1 d . . .
H64 H 1.2127 0.5156 0.4257 0.068 Uiso 1 1 calc R . .
C65 C 1.2827(4) 0.5670(4) 0.4614(2) 0.071(2) Uani 1 1 d . . .
H65 H 1.2775 0.5425 0.4826 0.086 Uiso 1 1 calc R . .
C66 C 1.3273(4) 0.6186(4) 0.4646(2) 0.074(2) Uani 1 1 d . . .
H66 H 1.3518 0.6305 0.4880 0.089 Uiso 1 1 calc R . .
C67 C 1.3363(4) 0.6529(3) 0.4339(2) 0.069(2) Uani 1 1 d . . .
H67 H 1.3675 0.6884 0.4360 0.083 Uiso 1 1 calc R . .
C68 C 1.3006(4) 0.6361(3) 0.4004(2) 0.0569(18) Uani 1 1 d . . .
H68 H 1.3069 0.6605 0.3794 0.068 Uiso 1 1 calc R . .
C71 C 1.0998(4) 0.3143(3) 0.27395(19) 0.0508(16) Uani 1 1 d . . .
C72 C 1.2289(4) 0.3206(3) 0.26036(19) 0.0448(15) Uani 1 1 d . . .
C73 C 1.2700(4) 0.3482(3) 0.23137(19) 0.0488(16) Uani 1 1 d . . .
C74 C 1.3464(4) 0.3610(3) 0.2390(2) 0.0593(18) Uani 1 1 d . . .
H74 H 1.3713 0.3529 0.2630 0.071 Uiso 1 1 calc R . .
C75 C 1.3864(5) 0.3852(4) 0.2123(3) 0.076(2) Uani 1 1 d . . .
H75 H 1.4388 0.3937 0.2180 0.091 Uiso 1 1 calc R . .
C76 C 1.3526(5) 0.3970(4) 0.1788(3) 0.092(3) Uani 1 1 d . . .
H76 H 1.3813 0.4134 0.1606 0.111 Uiso 1 1 calc R . .
C77 C 1.2773(6) 0.3858(5) 0.1699(3) 0.107(3) Uani 1 1 d . . .
H77 H 1.2533 0.3952 0.1460 0.129 Uiso 1 1 calc R . .
C78 C 1.2366(4) 0.3607(4) 0.1964(2) 0.074(2) Uani 1 1 d . . .
H78 H 1.1844 0.3519 0.1902 0.088 Uiso 1 1 calc R . .
C79 C 1.0320(4) 0.2547(3) 0.2237(2) 0.0625(19) Uiso 1 1 d . . .
C81 C 1.2339(5) 0.2730(3) 0.4327(2) 0.065(2) Uani 1 1 d . H .
C82 C 1.1534(4) 0.3616(3) 0.42401(19) 0.0618(19) Uani 1 1 d . . .
C83 C 1.0714(4) 0.3777(4) 0.4128(2) 0.069(2) Uani 1 1 d . . .
C84 C 1.0509(5) 0.4350(4) 0.4018(2) 0.079(2) Uani 1 1 d . . .
H84 H 1.0886 0.4656 0.4008 0.095 Uiso 1 1 calc R . .
C85 C 0.9760(5) 0.4502(5) 0.3921(3) 0.098(3) Uani 1 1 d . . .
H85 H 0.9636 0.4919 0.3867 0.118 Uiso 1 1 calc R . .
C86 C 0.9202(6) 0.4087(6) 0.3901(4) 0.121(4) Uani 1 1 d . . .
H86 H 0.8696 0.4196 0.3816 0.146 Uiso 1 1 calc R . .
C87 C 0.9386(5) 0.3515(6) 0.4005(4) 0.132(5) Uani 1 1 d . . .
H87 H 0.8998 0.3214 0.3998 0.159 Uiso 1 1 calc R . .
C88 C 1.0146(5) 0.3335(4) 0.4127(3) 0.102(3) Uani 1 1 d . . .
H88 H 1.0260 0.2925 0.4205 0.122 Uiso 1 1 calc R . .
C110 C 1.0277(4) 0.4868(3) 0.1837(2) 0.072(2) Uiso 1 1 d . . .
C111 C 1.1025(5) 0.4803(4) 0.1655(3) 0.090(3) Uiso 1 1 d . . .
C112 C 1.1033(6) 0.5249(5) 0.1327(3) 0.116(3) Uiso 1 1 d . . .
C113 C 0.9603(4) 0.4650(3) 0.2697(2) 0.070(2) Uiso 1 1 d . . .
C114 C 0.9957(4) 0.5294(3) 0.2714(2) 0.069(2) Uiso 1 1 d . . .
C115 C 0.9944(4) 0.5540(4) 0.3106(2) 0.076(2) Uiso 1 1 d . . .
C116 C 0.9145(5) 0.5700(4) 0.3200(3) 0.089(3) Uiso 1 1 d . . .
N22A N 0.7429(9) 0.4835(8) 0.0348(5) 0.097(5) Uiso 0.566(15) 1 d P A 1
29A C 0.8431(16) 0.5289(13) 0.0290(8) 0.161(11) Uiso 0.566(15) 1 d P A 1
210A C 0.8128(13) 0.4879(10) -0.0098(7) 0.126(8) Uiso 0.566(15) 1 d P A 1
211A C 0.742(2) 0.4998(19) -0.0357(13) 0.267(19) Uiso 0.566(15) 1 d P A 1
212A C 0.747(3) 0.497(2) -0.0769(15) 0.32(3) Uiso 0.566(15) 1 d P A 1
N22B N 0.7620(10) 0.5007(9) 0.0469(5) 0.078(6) Uiso 0.434(15) 1 d P A 2
29B C 0.8126(11) 0.5130(9) 0.0158(6) 0.067(6) Uiso 0.434(15) 1 d P A 2
210B C 0.8543(13) 0.5180(10) -0.00105(7) 0.126(8) Uiso 0.434(15) 1 d P A 2
211B C 0.896(3) 0.523(2) -0.0137(14) 0.26(2) Uiso 0.434(15) 1 d P A 2
212B C 0.984(3) 0.521(2) 0.0088(15) 0.24(2) Uiso 0.434(15) 1 d P . 2
C213 C 0.6805(7) 0.5350(6) 0.0379(4) 0.144(4) Uiso 1 1 d . . .
C214 C 0.7042(10) 0.5888(8) 0.0687(5) 0.182(6) Uiso 1 1 d . A .
C216 C 0.688(3) 0.688(2) 0.0844(12) 0.47(2) Uiso 1 1 d . . .
215A C 0.635(3) 0.639(3) 0.0501(15) 0.43(3) Uiso 0.76(3) 1 d P A 1
215B C 0.744(3) 0.644(2) 0.0727(13) 0.12(2) Uiso 0.24(3) 1 d P A 2
C310 C 0.3452(5) 0.2642(4) 0.0647(3) 0.096(3) Uiso 1 1 d . B .
C311 C 0.2743(6) 0.2999(5) 0.0719(3) 0.110(3) Uiso 1 1 d . . .
312A C 0.266(5) 0.369(4) 0.058(2) 0.21(4) Uiso 0.23(3) 1 d P B 1
312B C 0.2335(9) 0.3164(8) 0.0335(5) 0.132(8) Uiso 0.77(3) 1 d P B 2
C313 C 0.4657(5) 0.1502(4) 0.0902(3) 0.086(2) Uiso 1 1 d . . .
314A C 0.4799(11) 0.1517(9) 0.0361(6) 0.108(7) Uiso 0.69(5) 1 d P C 1
314B C 0.4459(9) 0.1418(7) 0.0510(5) 0.085(6) Uiso 0.31(5) 1 d P C 2
C315 C 0.4643(9) 0.0770(8) 0.0351(5) 0.174(5) Uiso 1 1 d . . .
316A C 0.4619(18) 0.0809(12) -0.0079(7) 0.152(11) Uiso 0.69(5) 1 d P C 1
316B C 0.419(3) 0.060(2) 0.0011(13) 0.13(2) Uiso 0.31(5) 1 d P C 2
C410 C 0.8747(4) 0.0106(3) 0.2017(2) 0.067(2) Uiso 1 1 d . . .
C411 C 0.9375(5) 0.0181(4) 0.2340(2) 0.077(2) Uiso 1 1 d . . .
C412 C 1.0160(6) -0.0027(5) 0.2222(3) 0.105(3) Uiso 1 1 d . . .
413A C 0.7747(15) 0.1030(10) 0.2623(7) 0.026(7) Uiso 0.30(2) 1 d P D 1
414A C 0.6833(18) 0.1069(14) 0.2693(8) 0.070(9) Uiso 0.30(2) 1 d P D 1
415A C 0.693(2) 0.115(2) 0.3126(11) 0.112(15) Uiso 0.30(2) 1 d P D 1
416A C 0.704(4) 0.056(3) 0.347(2) 0.21(3) Uiso 0.30(2) 1 d P D 1
413B C 0.7960(8) 0.0993(6) 0.2632(4) 0.057(5) Uiso 0.70(2) 1 d P D 2
414B C 0.7168(6) 0.0836(5) 0.2770(3) 0.047(3) Uiso 0.70(2) 1 d P D 2
415B C 0.7283(8) 0.0831(6) 0.3205(4) 0.078(4) Uiso 0.70(2) 1 d P D 2
416B C 0.6556(10) 0.0668(7) 0.3348(5) 0.104(6) Uiso 0.70(2) 1 d P D 2
C510 C 1.6511(4) 0.4230(4) 0.4283(2) 0.075(2) Uiso 1 1 d . E .
C511 C 1.7175(6) 0.3840(5) 0.4166(3) 0.114(3) Uiso 1 1 d . . .
C513 C 1.5422(4) 0.5509(3) 0.4139(2) 0.068(2) Uiso 1 1 d . . .
512A C 1.7455(11) 0.3327(11) 0.4513(9) 0.108(8) Uiso 0.64(7) 1 d P E 1
514A C 1.5473(13) 0.5517(6) 0.4568(3) 0.051(6) Uiso 0.64(7) 1 d P E 1
512B C 1.742(2) 0.346(2) 0.4369(17) 0.108(14) Uiso 0.36(7) 1 d P E 2
514B C 1.578(3) 0.5419(16) 0.4561(8) 0.082(11) Uiso 0.36(7) 1 d P E 2
C515 C 1.5460(5) 0.6132(4) 0.4731(2) 0.083(2) Uiso 1 1 d . . .
516A C 1.573(3) 0.6029(13) 0.5159(6) 0.088(10) Uiso 0.48(7) 1 d P E 1
516B C 1.540(2) 0.6156(11) 0.5168(5) 0.075(9) Uiso 0.52(7) 1 d P E 2
C69 C 1.2105(4) 0.6120(3) 0.2307(2) 0.071(2) Uiso 1 1 d . . .
610A C 1.3041(16) 0.6126(12) 0.2183(7) 0.121(8) Uiso 0.57(4) 1 d P F 1
611A C 1.2639(12) 0.6238(9) 0.1712(6) 0.096(7) Uiso 0.57(4) 1 d P F 1
612A C 1.3400(15) 0.6425(10) 0.1551(6) 0.124(10) Uiso 0.57(4) 1 d P F 1
610B C 1.2789(11) 0.6300(8) 0.2147(5) 0.043(6) Uiso 0.43(4) 1 d P F 2
611B C 1.277(3) 0.645(2) 0.1471(15) 0.192(18) Uiso 0.43(4) 1 d P F 2
612B C 1.305(2) 0.5896(19) 0.1737(9) 0.149(16) Uiso 0.43(4) 1 d P F 2
C613 C 1.2090(4) 0.6869(3) 0.2841(2) 0.067(2) Uiso 1 1 d . . .
C614 C 1.1328(4) 0.7027(4) 0.2984(2) 0.074(2) Uiso 1 1 d . F .
C615 C 1.0653(5) 0.6990(4) 0.2688(2) 0.082(2) Uiso 1 1 d . . .
616B C 0.981(3) 0.7134(19) 0.2783(19) 0.083(12) Uiso 0.44(13) 1 d P F 1
616A C 0.997(2) 0.7235(14) 0.2897(14) 0.077(10) Uiso 0.56(13) 1 d P F 2
710A C 1.0736(7) 0.1987(6) 0.2239(4) 0.057(5) Uiso 0.532(16) 1 d P G 1
711A C 1.0760(10) 0.1726(9) 0.1848(5) 0.082(5) Uiso 0.532(16) 1 d P G 1
712A C 0.9968(14) 0.1592(11) 0.1688(8) 0.110(9) Uiso 0.532(16) 1 d P G 1
710B C 1.0023(8) 0.1844(7) 0.2241(4) 0.061(5) Uiso 0.468(16) 1 d P G 2
711B C 0.9986(11) 0.1531(9) 0.1840(7) 0.066(6) Uiso 0.468(16) 1 d P G 2
712B C 1.0807(11) 0.1403(11) 0.1781(6) 0.080(6) Uiso 0.468(16) 1 d P G 2
C713 C 0.9676(4) 0.2825(3) 0.2796(2) 0.0610(18) Uiso 1 1 d . . .
714A C 0.9436(10) 0.2162(8) 0.2873(6) 0.096(6) Uiso 0.534(11) 1 d P G 1
715A C 0.9982(11) 0.1844(10) 0.3125(6) 0.111(7) Uiso 0.534(11) 1 d P G 1
716A C 1.0033(13) 0.2055(11) 0.3541(7) 0.144(9) Uiso 0.534(11) 1 d P G 1
714B C 0.9676(9) 0.2280(7) 0.3094(5) 0.055(4) Uiso 0.466(11) 1 d P G 2
715B C 0.8972(9) 0.2332(8) 0.3277(5) 0.075(5) Uiso 0.466(11) 1 d P G 2
716B C 0.8988(12) 0.1910(10) 0.3603(7) 0.113(8) Uiso 0.466(11) 1 d P G 2
89A C 1.2027(10) 0.2065(9) 0.4812(5) 0.042(5) Uiso 0.39(2) 1 d P H 1
810A C 1.1457(13) 0.1541(11) 0.4641(6) 0.066(7) Uiso 0.39(2) 1 d P H 1
811A C 1.0892(10) 0.1432(10) 0.4944(5) 0.054(6) Uiso 0.39(2) 1 d P H 1
812A C 1.019(2) 0.125(2) 0.4945(11) 0.179(18) Uiso 0.39(2) 1 d P H 1
89B C 1.1837(9) 0.2287(8) 0.4868(4) 0.071(4) Uiso 0.61(2) 1 d P H 2
810B C 1.1300(9) 0.1746(9) 0.4711(5) 0.079(5) Uiso 0.61(2) 1 d P H 2
811B C 1.0674(14) 0.1744(14) 0.5029(6) 0.117(7) Uiso 0.61(2) 1 d P H 2
812B C 1.0251(13) 0.2045(11) 0.4997(6) 0.139(9) Uiso 0.61(2) 1 d P H 2
813A C 1.3223(13) 0.1779(12) 0.4480(8) 0.089(8) Uiso 0.45(3) 1 d P H 1
814A C 1.3773(11) 0.2343(12) 0.4846(6) 0.071(7) Uiso 0.45(3) 1 d P H 1
815A C 1.4523(19) 0.1603(19) 0.4691(11) 0.153(13) Uiso 0.45(3) 1 d P H 1
816A C 1.5235(11) 0.2277(12) 0.4991(6) 0.075(7) Uiso 0.45(3) 1 d P H 1
813B C 1.3112(7) 0.1938(6) 0.4628(4) 0.043(4) Uiso 0.55(3) 1 d P H 2
814B C 1.3873(11) 0.2112(11) 0.4775(6) 0.085(6) Uiso 0.55(3) 1 d P H 2
815B C 1.4489(9) 0.1843(8) 0.4834(5) 0.066(5) Uiso 0.55(3) 1 d P H 2
816B C 1.5274(12) 0.1955(13) 0.4964(6) 0.106(7) Uiso 0.55(3) 1 d P H 2
Ag1 Ag 0.82399(3) 0.27685(2) 0.178506(15) 0.05267(16) Uani 1 1 d . A .
Ag2 Ag 0.76579(3) 0.40072(2) 0.148161(16) 0.06385(17) Uani 1 1 d . . .
Ag3 Ag 0.68314(3) 0.31468(3) 0.092705(16) 0.06247(17) Uani 1 1 d . A .
Ag4 Ag 0.65960(3) 0.25025(2) 0.166290(15) 0.05560(16) Uani 1 1 d . . .
Ag5 Ag 1.31499(3) 0.39737(2) 0.402255(15) 0.05876(17) Uani 1 1 d . H .
Ag6 Ag 1.33868(3) 0.46154(2) 0.329054(15) 0.05543(16) Uani 1 1 d . . .
Ag7 Ag 1.17281(3) 0.44026(2) 0.316026(16) 0.05576(16) Uani 1 1 d . . .
Ag8 Ag 1.22647(3) 0.31516(2) 0.345502(15) 0.05857(16) Uani 1 1 d . H .
N11 N 0.8400(3) 0.3987(2) 0.24106(16) 0.0554(14) Uani 1 1 d . . .
N12 N 0.9560(3) 0.4376(2) 0.23173(17) 0.0614(16) Uani 1 1 d . . .
N21 N 0.8288(4) 0.4152(3) 0.0626(2) 0.084(2) Uani 1 1 d . A .
N31 N 0.5025(3) 0.3123(3) 0.11120(16) 0.0562(15) Uani 1 1 d . . .
N32 N 0.4592(3) 0.2149(3) 0.09992(16) 0.0601(15) Uani 1 1 d . C .
N41 N 0.7682(3) 0.1177(2) 0.16293(15) 0.0465(13) Uani 1 1 d . . .
N42 N 0.7873(3) 0.0907(2) 0.22303(14) 0.0469(13) Uani 1 1 d . . .
N51 N 1.4992(3) 0.3953(3) 0.38104(15) 0.0566(14) Uani 1 1 d . . .
N52 N 1.5464(3) 0.4888(3) 0.39833(15) 0.0575(15) Uani 1 1 d . E .
N61 N 1.2377(3) 0.5942(2) 0.33128(16) 0.0526(14) Uani 1 1 d . . .
N62 N 1.2147(3) 0.6221(3) 0.27145(15) 0.0578(15) Uani 1 1 d . F .
N71 N 1.1525(3) 0.3204(2) 0.25197(15) 0.0517(13) Uani 1 1 d . . .
N72 N 1.0369(3) 0.2835(2) 0.26053(16) 0.0548(14) Uani 1 1 d . G .
N81 N 1.1677(4) 0.3018(3) 0.43061(17) 0.0658(16) Uani 1 1 d . . .
N82 N 1.2481(4) 0.2289(3) 0.45749(18) 0.079(2) Uani 1 1 d . . .
O11 O 0.7282(2) 0.4213(2) 0.20576(14) 0.0580(12) Uani 1 1 d . A .
O21 O 0.7981(3) 0.3126(2) 0.06647(14) 0.0668(13) Uani 1 1 d . A .
O31 O 0.5817(3) 0.33552(19) 0.16311(14) 0.0602(12) Uani 1 1 d . A .
O41 O 0.8213(2) 0.19855(19) 0.13359(12) 0.0583(12) Uani 1 1 d . . .
O51 O 1.4148(3) 0.3742(2) 0.32982(13) 0.0614(12) Uani 1 1 d . . .
O61 O 1.1725(2) 0.5205(2) 0.35901(12) 0.0580(12) Uani 1 1 d . . .
O71 O 1.2635(2) 0.2960(2) 0.28739(13) 0.0546(11) Uani 1 1 d . . .
O81 O 1.2003(3) 0.4033(2) 0.42798(14) 0.0679(14) Uani 1 1 d . . .
S1 S 0.89344(9) 0.37112(7) 0.17482(5) 0.0551(4) Uani 1 1 d . A .
S2 S 0.69175(11) 0.42852(9) 0.09157(6) 0.0668(5) Uani 1 1 d . A .
S3 S 0.60766(9) 0.22444(8) 0.10126(5) 0.0576(5) Uani 1 1 d . A .
S4 S 0.74983(9) 0.20850(7) 0.21452(5) 0.0479(4) Uani 1 1 d . A .
S5 S 1.39599(9) 0.48449(8) 0.39317(5) 0.0543(4) Uani 1 1 d . . .
S6 S 1.25120(10) 0.50360(8) 0.27946(5) 0.0537(4) Uani 1 1 d . . .
S7 S 1.10006(9) 0.34761(8) 0.31851(5) 0.0539(4) Uani 1 1 d . . .
S8 S 1.30187(10) 0.28381(8) 0.40108(5) 0.0605(5) 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
C11 0.042(4) 0.038(3) 0.073(5) -0.003(3) -0.001(4) -0.002(3)
C12 0.049(4) 0.034(3) 0.057(5) -0.018(3) 0.010(4) -0.005(3)
C13 0.053(4) 0.051(4) 0.046(4) -0.014(3) 0.015(3) 0.001(3)
C14 0.058(5) 0.105(6) 0.066(6) -0.005(5) 0.017(4) 0.009(4)
C15 0.096(7) 0.161(10) 0.063(6) 0.024(6) 0.026(6) 0.016(7)
C16 0.108(8) 0.119(8) 0.084(8) 0.018(6) 0.043(6) -0.009(6)
C17 0.063(5) 0.088(6) 0.088(7) -0.015(5) 0.025(5) -0.014(4)
C18 0.056(4) 0.063(4) 0.066(5) -0.012(4) 0.010(4) -0.020(3)
C21 0.105(7) 0.075(5) 0.071(6) 0.039(5) 0.016(5) 0.004(5)
C22 0.068(5) 0.067(5) 0.057(5) -0.003(4) 0.029(4) -0.003(4)
C23 0.058(4) 0.070(5) 0.050(5) -0.006(4) 0.019(4) -0.004(4)
C24 0.056(5) 0.083(6) 0.063(5) -0.002(4) 0.024(4) 0.000(4)
C25 0.064(6) 0.118(7) 0.082(7) -0.001(5) 0.023(5) -0.007(5)
C26 0.073(6) 0.129(9) 0.085(7) -0.025(7) 0.015(5) 0.013(7)
C27 0.065(6) 0.145(10) 0.106(8) -0.063(7) 0.036(6) -0.049(6)
C28 0.086(6) 0.088(6) 0.092(7) -0.031(5) 0.032(5) -0.023(5)
C31 0.048(4) 0.052(4) 0.054(4) 0.002(3) 0.001(3) 0.001(3)
C32 0.040(4) 0.051(4) 0.059(5) -0.005(4) 0.007(4) 0.000(3)
C33 0.040(4) 0.054(4) 0.062(5) 0.008(4) 0.011(3) 0.012(3)
C34 0.077(5) 0.055(5) 0.093(7) 0.006(4) 0.004(5) 0.016(4)
C35 0.099(7) 0.096(8) 0.127(9) 0.034(7) -0.011(6) 0.024(6)
C36 0.128(9) 0.057(5) 0.140(10) 0.011(6) -0.003(8) 0.021(6)
C37 0.105(7) 0.063(6) 0.111(8) -0.006(5) -0.003(6) 0.009(5)
C38 0.073(5) 0.044(4) 0.091(6) -0.008(4) 0.003(4) 0.007(4)
C41 0.040(3) 0.039(3) 0.049(4) 0.003(3) -0.002(3) -0.003(3)
C42 0.038(3) 0.040(3) 0.053(4) -0.004(3) 0.005(3) 0.006(3)
C43 0.040(3) 0.041(3) 0.047(4) -0.002(3) 0.001(3) 0.011(3)
C44 0.065(4) 0.046(4) 0.050(5) -0.002(3) 0.014(4) 0.002(3)
C45 0.076(5) 0.070(5) 0.049(5) 0.009(4) 0.003(4) 0.009(4)
C46 0.082(5) 0.069(5) 0.055(5) -0.011(4) -0.003(4) 0.024(4)
C47 0.076(5) 0.055(4) 0.063(5) -0.011(4) -0.008(4) -0.002(4)
C48 0.055(4) 0.049(4) 0.050(4) 0.001(3) 0.001(3) 0.003(3)
C51 0.044(4) 0.069(5) 0.035(4) 0.004(3) -0.003(3) -0.010(3)
C52 0.037(4) 0.067(4) 0.044(4) -0.001(3) 0.003(3) -0.007(3)
C53 0.043(4) 0.070(5) 0.048(4) -0.005(4) 0.008(3) 0.000(3)
C54 0.066(5) 0.071(5) 0.067(5) -0.007(4) -0.013(4) 0.003(4)
C55 0.108(7) 0.069(6) 0.093(7) -0.011(5) -0.021(6) 0.008(5)
C56 0.115(7) 0.069(5) 0.089(7) 0.012(5) 0.002(6) 0.023(5)
C57 0.085(6) 0.085(6) 0.074(6) 0.005(5) -0.010(5) 0.012(5)
C58 0.056(4) 0.080(6) 0.056(5) -0.003(4) 0.000(4) 0.001(4)
C61 0.044(4) 0.050(4) 0.056(5) 0.016(4) -0.011(3) -0.012(3)
C62 0.047(4) 0.042(4) 0.047(4) -0.002(3) -0.004(3) 0.000(3)
C63 0.047(4) 0.046(4) 0.059(5) -0.007(3) 0.009(3) 0.002(3)
C64 0.058(4) 0.062(4) 0.052(5) -0.007(4) 0.010(4) -0.005(3)
C65 0.069(5) 0.092(6) 0.053(5) -0.004(4) 0.004(4) -0.006(4)
C66 0.073(5) 0.089(6) 0.058(5) -0.010(4) -0.009(4) -0.015(5)
C67 0.073(5) 0.063(5) 0.068(6) 0.000(4) -0.006(4) -0.023(4)
C68 0.063(4) 0.049(4) 0.058(5) -0.001(3) 0.003(4) -0.008(3)
C71 0.047(4) 0.052(4) 0.052(4) -0.001(3) 0.001(3) -0.014(3)
C72 0.046(4) 0.045(4) 0.043(4) -0.012(3) 0.006(3) -0.008(3)
C73 0.050(4) 0.046(4) 0.049(4) -0.008(3) 0.002(3) 0.002(3)
C74 0.057(4) 0.059(4) 0.062(5) -0.013(4) 0.008(4) -0.008(3)
C75 0.072(5) 0.086(6) 0.074(6) -0.009(5) 0.026(5) -0.017(4)
C76 0.077(6) 0.121(8) 0.087(8) 0.027(6) 0.044(6) 0.007(5)
C77 0.091(7) 0.165(10) 0.068(7) 0.044(6) 0.019(5) 0.020(7)
C78 0.058(5) 0.100(6) 0.064(6) 0.012(5) 0.014(4) 0.013(4)
C81 0.072(5) 0.066(5) 0.054(5) 0.005(4) -0.003(4) -0.027(4)
C82 0.075(5) 0.065(5) 0.051(5) -0.002(4) 0.032(4) -0.012(4)
C83 0.059(5) 0.080(6) 0.074(6) -0.015(4) 0.031(4) -0.019(4)
C84 0.069(6) 0.077(6) 0.097(7) -0.003(5) 0.034(5) -0.009(4)
C85 0.072(6) 0.104(7) 0.126(9) -0.001(6) 0.042(6) 0.006(6)
C86 0.081(7) 0.103(8) 0.185(13) -0.018(8) 0.034(7) 0.009(7)
C87 0.052(6) 0.145(11) 0.204(14) -0.039(10) 0.038(7) -0.021(6)
C88 0.078(6) 0.083(6) 0.150(10) -0.022(6) 0.038(6) -0.009(5)
Ag1 0.0455(3) 0.0400(3) 0.0716(4) -0.0032(2) 0.0025(3) -0.0056(2)
Ag2 0.0720(4) 0.0544(3) 0.0643(4) 0.0014(3) 0.0033(3) 0.0026(3)
Ag3 0.0559(3) 0.0715(4) 0.0614(4) 0.0031(3) 0.0123(3) -0.0045(3)
Ag4 0.0432(3) 0.0553(3) 0.0673(4) 0.0093(3) 0.0014(3) 0.0033(2)
Ag5 0.0554(3) 0.0676(3) 0.0534(4) 0.0030(3) 0.0063(3) -0.0192(3)
Ag6 0.0445(3) 0.0635(3) 0.0569(4) 0.0072(3) -0.0006(2) -0.0033(2)
Ag7 0.0475(3) 0.0503(3) 0.0678(4) -0.0032(3) -0.0012(3) -0.0103(2)
Ag8 0.0677(4) 0.0597(3) 0.0472(3) 0.0008(2) 0.0012(3) -0.0036(3)
N11 0.047(3) 0.060(3) 0.060(4) -0.007(3) 0.006(3) -0.008(3)
N12 0.039(3) 0.054(3) 0.091(5) -0.015(3) 0.006(3) -0.011(3)
N21 0.072(4) 0.077(5) 0.111(6) 0.031(4) 0.041(4) 0.015(4)
N31 0.038(3) 0.057(4) 0.072(4) 0.002(3) -0.003(3) 0.008(3)
N32 0.050(3) 0.057(3) 0.070(4) -0.001(3) -0.005(3) -0.004(3)
N41 0.056(3) 0.039(3) 0.042(4) 0.002(3) -0.005(3) -0.002(2)
N42 0.058(3) 0.039(3) 0.042(3) 0.003(2) -0.002(3) -0.003(2)
N51 0.043(3) 0.076(4) 0.049(4) -0.005(3) -0.004(3) -0.003(3)
N52 0.048(3) 0.076(4) 0.047(4) -0.005(3) 0.001(3) -0.020(3)
N61 0.068(4) 0.039(3) 0.047(4) 0.001(3) -0.011(3) -0.010(3)
N62 0.058(3) 0.063(4) 0.051(4) 0.009(3) -0.002(3) -0.010(3)
N71 0.050(3) 0.061(3) 0.045(3) -0.004(3) 0.005(3) -0.013(3)
N72 0.043(3) 0.053(3) 0.068(4) -0.008(3) 0.005(3) -0.008(3)
N81 0.065(4) 0.072(4) 0.062(4) 0.008(3) 0.014(3) -0.025(3)
N82 0.076(4) 0.090(5) 0.067(4) 0.038(4) -0.009(3) -0.035(4)
O11 0.052(3) 0.055(3) 0.067(3) 0.001(2) 0.005(3) 0.003(2)
O21 0.057(3) 0.072(3) 0.074(4) -0.008(3) 0.019(3) -0.001(3)
O31 0.062(3) 0.049(3) 0.067(3) -0.003(2) -0.006(3) 0.011(2)
O41 0.068(3) 0.051(3) 0.058(3) -0.009(2) 0.017(2) -0.017(2)
O51 0.066(3) 0.061(3) 0.053(3) -0.007(2) -0.013(3) 0.004(2)
O61 0.052(3) 0.066(3) 0.056(3) -0.008(2) 0.007(2) -0.012(2)
O71 0.055(3) 0.066(3) 0.043(3) 0.001(2) 0.005(2) 0.002(2)
O81 0.062(3) 0.061(3) 0.084(4) -0.005(3) 0.024(3) -0.025(3)
S1 0.0506(10) 0.0455(9) 0.0707(13) -0.0055(8) 0.0136(9) -0.0103(7)
S2 0.0658(12) 0.0636(11) 0.0720(14) 0.0170(10) 0.0122(10) 0.0119(9)
S3 0.0494(10) 0.0548(10) 0.0675(13) -0.0075(9) 0.0010(9) 0.0056(8)
S4 0.0511(9) 0.0417(8) 0.0503(11) -0.0022(7) 0.0032(8) 0.0002(7)
S5 0.0488(10) 0.0574(10) 0.0558(11) -0.0025(8) 0.0020(8) -0.0127(8)
S6 0.0570(10) 0.0542(10) 0.0486(11) 0.0015(8) 0.0005(8) -0.0059(8)
S7 0.0472(9) 0.0578(10) 0.0575(11) -0.0050(8) 0.0089(8) -0.0132(8)
S8 0.0625(11) 0.0623(11) 0.0562(12) 0.0115(9) 0.0040(9) -0.0040(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
C11 N11 1.315(8) . ?
C11 N12 1.352(8) . ?
C11 S1 1.783(7) . ?
C12 O11 1.249(8) . ?
C12 N11 1.338(8) . ?
C12 C13 1.466(9) . ?
C13 C18 1.375(9) . ?
C13 C14 1.384(10) . ?
C14 C15 1.389(11) . ?
C14 H14 0.9500 . ?
C15 C16 1.399(13) . ?
C15 H15 0.9500 . ?
C16 C17 1.328(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.393(10) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 N12 1.479(8) . ?
C19 C110 1.548(10) . ?
C21 N21 1.296(10) . ?
C21 N22A 1.373(17) . ?
C21 N22B 1.392(19) . ?
C21 S2 1.779(9) . ?
C22 O21 1.249(8) . ?
C22 N21 1.337(9) . ?
C22 C23 1.480(10) . ?
C23 C24 1.355(10) . ?
C23 C28 1.390(10) . ?
C24 C25 1.385(11) . ?
C24 H24 0.9500 . ?
C25 C26 1.313(12) . ?
C25 H25 0.9500 . ?
C26 C27 1.348(14) . ?
C26 H26 0.9500 . ?
C27 C28 1.434(13) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C31 N31 1.323(8) . ?
C31 N32 1.335(8) . ?
C31 S3 1.752(6) . ?
C32 O31 1.239(8) . ?
C32 N31 1.336(8) . ?
C32 C33 1.476(9) . ?
C33 C38 1.365(10) . ?
C33 C34 1.373(10) . ?
C34 C35 1.366(11) . ?
C34 H34 0.9500 . ?
C35 C36 1.423(14) . ?
C35 H35 0.9500 . ?
C36 C37 1.330(13) . ?
C36 H36 0.9500 . ?
C37 C38 1.367(10) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 N32 1.496(9) . ?
C39 C310 1.586(12) . ?
C41 N41 1.313(8) . ?
C41 N42 1.343(7) . ?
C41 S4 1.774(6) . ?
C42 O41 1.242(7) . ?
C42 N41 1.341(8) . ?
C42 C43 1.518(9) . ?
C43 C44 1.366(8) . ?
C43 C48 1.392(8) . ?
C44 C45 1.375(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.386(10) . ?
C45 H45 0.9500 . ?
C46 C47 1.370(10) . ?
C46 H46 0.9500 . ?
C47 C48 1.387(9) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 N42 1.489(8) . ?
C49 C410 1.522(9) . ?
C51 N51 1.303(8) . ?
C51 N52 1.351(8) . ?
C51 S5 1.768(7) . ?
C52 O51 1.239(7) . ?
C52 N51 1.342(8) . ?
C52 C53 1.507(9) . ?
C53 C58 1.367(9) . ?
C53 C54 1.376(9) . ?
C54 C55 1.376(10) . ?
C54 H54 0.9500 . ?
C55 C56 1.361(12) . ?
C55 H55 0.9500 . ?
C56 C57 1.355(12) . ?
C56 H56 0.9500 . ?
C57 C58 1.356(10) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 N52 1.482(9) . ?
C59 C510 1.543(11) . ?
C61 N61 1.306(8) . ?
C61 N62 1.347(8) . ?
C61 S6 1.775(7) . ?
C62 O61 1.248(7) . ?
C62 N61 1.313(8) . ?
C62 C63 1.479(9) . ?
C63 C68 1.382(9) . ?
C63 C64 1.390(9) . ?
C64 C65 1.385(10) . ?
C64 H64 0.9500 . ?
C65 C66 1.374(10) . ?
C65 H65 0.9500 . ?
C66 C67 1.368(10) . ?
C66 H66 0.9500 . ?
C67 C68 1.364(10) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C71 N71 1.306(8) . ?
C71 N72 1.350(8) . ?
C71 S7 1.777(7) . ?
C72 O71 1.226(7) . ?
C72 N71 1.360(8) . ?
C72 C73 1.478(9) . ?
C73 C78 1.374(10) . ?
C73 C74 1.386(9) . ?
C74 C75 1.372(10) . ?
C74 H74 0.9500 . ?
C75 C76 1.327(11) . ?
C75 H75 0.9500 . ?
C76 C77 1.366(12) . ?
C76 H76 0.9500 . ?
C77 C78 1.382(11) . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
C79 710A 1.425(14) . ?
C79 N72 1.473(9) . ?
C79 710B 1.618(16) . ?
C81 N82 1.324(9) . ?
C81 N81 1.330(9) . ?
C81 S8 1.776(8) . ?
C82 O81 1.231(8) . ?
C82 N81 1.343(9) . ?
C82 C83 1.514(11) . ?
C83 C84 1.347(11) . ?
C83 C88 1.396(11) . ?
C84 C85 1.380(11) . ?
C84 H84 0.9500 . ?
C85 C86 1.340(13) . ?
C85 H85 0.9500 . ?
C86 C87 1.332(15) . ?
C86 H86 0.9500 . ?
C87 C88 1.431(14) . ?
C87 H87 0.9500 . ?
C88 H88 0.9500 . ?
C110 C111 1.559(11) . ?
C111 C112 1.542(13) . ?
C113 N12 1.502(9) . ?
C113 C114 1.536(10) . ?
C114 C115 1.528(11) . ?
C115 C116 1.541(11) . ?
N22A C213 1.592(19) . ?
29A 210A 1.71(4) . ?
210A 211A 1.51(4) . ?
211A 212A 1.52(5) . ?
N22B 29B 1.54(3) . ?
N22B C213 1.63(2) . ?
29B 211B 1.95(6) . ?
211B 212B 1.69(7) . ?
212B 212B 1.28(9) 3_765 ?
C213 C214 1.64(2) . ?
C214 215B 1.39(5) . ?
C214 215A 1.73(5) . ?
C216 215B 1.49(5) . ?
C216 215A 1.82(5) . ?
C310 C311 1.530(13) . ?
C311 312B 1.547(18) . ?
C311 312A 1.60(8) . ?
C313 314B 1.445(18) . ?
C313 N32 1.460(10) . ?
C313 314A 2.02(2) . ?
314A C315 1.65(2) . ?
314B C315 1.57(2) . ?
C315 316B 1.45(4) . ?
C315 316A 1.56(3) . ?
C410 C411 1.540(11) . ?
C411 C412 1.574(12) . ?
413A N42 1.50(2) . ?
413A 414A 1.68(4) . ?
414A 415A 1.58(4) . ?
415A 416A 1.79(10) . ?
413B N42 1.467(15) . ?
413B 414B 1.586(16) . ?
414B 415B 1.576(16) . ?
415B 416B 1.49(2) . ?
C510 C511 1.552(13) . ?
C511 512B 1.16(6) . ?
C511 512A 1.72(4) . ?
C513 N52 1.470(9) . ?
C513 514A 1.556(14) . ?
C513 514B 1.61(3) . ?
514A C515 1.464(16) . ?
514B C515 1.79(5) . ?
C515 516A 1.60(2) . ?
C515 516B 1.61(2) . ?
C69 610B 1.459(18) . ?
C69 N62 1.494(9) . ?
C69 610A 1.77(3) . ?
610A 611A 1.80(3) . ?
611A 612A 1.59(4) . ?
610B 612B 1.84(4) . ?
611B 612B 1.59(7) . ?
C613 N62 1.492(9) . ?
C613 C614 1.543(10) . ?
C614 C615 1.526(11) . ?
C615 616A 1.60(2) . ?
C615 616B 1.61(3) . ?
710A 711A 1.54(2) . ?
711A 712A 1.49(3) . ?
710B 711B 1.61(3) . ?
711B 712B 1.53(3) . ?
C713 N72 1.482(8) . ?
C713 714A 1.539(19) . ?
C713 714B 1.609(17) . ?
714A 715A 1.44(3) . ?
715A 716A 1.58(3) . ?
714B 715B 1.49(2) . ?
715B 716B 1.50(3) . ?
89A N82 1.337(17) . ?
89A 810A 1.61(3) . ?
810A 811A 1.59(3) . ?
811A 812A 1.31(4) . ?
89B 810B 1.58(2) . ?
89B N82 1.650(17) . ?
810B 811B 1.69(3) . ?
811B 812B 1.00(3) . ?
813A N82 1.79(3) . ?
813A 814A 1.99(4) . ?
813B N82 1.353(14) . ?
813B 814B 1.45(2) . ?
814B 815B 1.24(3) . ?
815B 816B 1.45(2) . ?
Ag1 O41 2.359(4) . ?
Ag1 S1 2.4064(16) . ?
Ag1 S4 2.4616(17) . ?
Ag1 Ag4 2.9687(9) . ?
Ag1 Ag2 3.0510(9) . ?
Ag2 O11 2.316(5) . ?
Ag2 S2 2.399(2) . ?
Ag2 S1 2.457(2) . ?
Ag2 Ag3 3.0161(10) . ?
Ag3 O21 2.354(4) . ?
Ag3 S3 2.4190(18) . ?
Ag3 S2 2.482(2) . ?
Ag3 Ag4 3.0949(9) . ?
Ag4 O31 2.312(4) . ?
Ag4 S4 2.4230(19) . ?
Ag4 S3 2.510(2) . ?
Ag5 O81 2.342(5) . ?
Ag5 S5 2.4266(17) . ?
Ag5 S8 2.4819(19) . ?
Ag5 Ag8 3.0398(10) . ?
Ag5 Ag6 3.0806(9) . ?
Ag6 O51 2.332(4) . ?
Ag6 S6 2.4304(19) . ?
Ag6 S5 2.4944(19) . ?
Ag6 Ag7 2.9752(10) . ?
Ag7 O61 2.345(4) . ?
Ag7 S7 2.4034(17) . ?
Ag7 S6 2.4562(18) . ?
Ag7 Ag8 3.0413(9) . ?
Ag8 O71 2.324(4) . ?
Ag8 S8 2.402(2) . ?
Ag8 S7 2.4581(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
N11 C11 N12 118.6(6) . . ?
N11 C11 S1 125.0(5) . . ?
N12 C11 S1 116.0(5) . . ?
O11 C12 N11 125.5(6) . . ?
O11 C12 C13 119.4(6) . . ?
N11 C12 C13 115.0(6) . . ?
C18 C13 C14 118.0(7) . . ?
C18 C13 C12 120.7(7) . . ?
C14 C13 C12 121.3(6) . . ?
C13 C14 C15 121.2(8) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C14 C15 C16 119.0(9) . . ?
C14 C15 H15 120.5 . . ?
C16 C15 H15 120.5 . . ?
C17 C16 C15 119.8(8) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 121.4(8) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C13 C18 C17 120.5(8) . . ?
C13 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
N12 C19 C110 112.4(6) . . ?
N21 C21 N22A 118.1(9) . . ?
N21 C21 N22B 113.5(10) . . ?
N22A C21 N22B 27.0(9) . . ?
N21 C21 S2 128.6(6) . . ?
N22A C21 S2 113.0(9) . . ?
N22B C21 S2 114.3(9) . . ?
O21 C22 N21 126.3(7) . . ?
O21 C22 C23 118.0(7) . . ?
N21 C22 C23 115.6(7) . . ?
C24 C23 C28 119.3(7) . . ?
C24 C23 C22 119.3(7) . . ?
C28 C23 C22 121.4(7) . . ?
C23 C24 C25 120.9(8) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C26 C25 C24 121.7(10) . . ?
C26 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
C25 C26 C27 119.7(10) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C26 C27 C28 121.4(9) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 H27 119.3 . . ?
C23 C28 C27 117.1(9) . . ?
C23 C28 H28 121.5 . . ?
C27 C28 H28 121.5 . . ?
N31 C31 N32 117.9(6) . . ?
N31 C31 S3 124.5(5) . . ?
N32 C31 S3 117.4(5) . . ?
O31 C32 N31 125.3(6) . . ?
O31 C32 C33 118.9(6) . . ?
N31 C32 C33 115.7(6) . . ?
C38 C33 C34 119.2(7) . . ?
C38 C33 C32 119.6(7) . . ?
C34 C33 C32 121.0(7) . . ?
C35 C34 C33 120.6(9) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C34 C35 C36 119.2(9) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
C37 C36 C35 118.6(8) . . ?
C37 C36 H36 120.7 . . ?
C35 C36 H36 120.7 . . ?
C36 C37 C38 121.8(9) . . ?
C36 C37 H37 119.1 . . ?
C38 C37 H37 119.1 . . ?
C33 C38 C37 120.4(8) . . ?
C33 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
N32 C39 C310 109.5(6) . . ?
N41 C41 N42 116.3(5) . . ?
N41 C41 S4 127.1(5) . . ?
N42 C41 S4 116.3(5) . . ?
O41 C42 N41 127.3(6) . . ?
O41 C42 C43 117.0(6) . . ?
N41 C42 C43 115.4(5) . . ?
C44 C43 C48 119.4(6) . . ?
C44 C43 C42 120.2(6) . . ?
C48 C43 C42 120.4(6) . . ?
C43 C44 C45 120.8(6) . . ?
C43 C44 H44 119.6 . . ?
C45 C44 H44 119.6 . . ?
C44 C45 C46 120.0(7) . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C47 C46 C45 119.9(7) . . ?
C47 C46 H46 120.1 . . ?
C45 C46 H46 120.1 . . ?
C46 C47 C48 119.9(7) . . ?
C46 C47 H47 120.0 . . ?
C48 C47 H47 120.0 . . ?
C47 C48 C43 120.0(6) . . ?
C47 C48 H48 120.0 . . ?
C43 C48 H48 120.0 . . ?
N42 C49 C410 113.3(5) . . ?
N51 C51 N52 117.0(6) . . ?
N51 C51 S5 125.7(5) . . ?
N52 C51 S5 116.9(5) . . ?
O51 C52 N51 126.9(6) . . ?
O51 C52 C53 118.7(6) . . ?
N51 C52 C53 114.1(6) . . ?
C58 C53 C54 120.1(7) . . ?
C58 C53 C52 121.7(6) . . ?
C54 C53 C52 118.3(6) . . ?
C55 C54 C53 118.1(7) . . ?
C55 C54 H54 121.0 . . ?
C53 C54 H54 121.0 . . ?
C56 C55 C54 121.0(8) . . ?
C56 C55 H55 119.5 . . ?
C54 C55 H55 119.5 . . ?
C57 C56 C55 120.6(8) . . ?
C57 C56 H56 119.7 . . ?
C55 C56 H56 119.7 . . ?
C56 C57 C58 119.2(8) . . ?
C56 C57 H57 120.4 . . ?
C58 C57 H57 120.4 . . ?
C57 C58 C53 121.1(8) . . ?
C57 C58 H58 119.4 . . ?
C53 C58 H58 119.4 . . ?
N52 C59 C510 111.7(6) . . ?
N61 C61 N62 116.6(6) . . ?
N61 C61 S6 126.5(5) . . ?
N62 C61 S6 116.7(6) . . ?
O61 C62 N61 125.9(6) . . ?
O61 C62 C63 118.5(6) . . ?
N61 C62 C63 115.4(6) . . ?
C68 C63 C64 118.0(6) . . ?
C68 C63 C62 122.8(6) . . ?
C64 C63 C62 119.1(6) . . ?
C65 C64 C63 120.0(7) . . ?
C65 C64 H64 120.0 . . ?
C63 C64 H64 120.0 . . ?
C66 C65 C64 120.4(7) . . ?
C66 C65 H65 119.8 . . ?
C64 C65 H65 119.8 . . ?
C67 C66 C65 119.8(7) . . ?
C67 C66 H66 120.1 . . ?
C65 C66 H66 120.1 . . ?
C68 C67 C66 120.0(7) . . ?
C68 C67 H67 120.0 . . ?
C66 C67 H67 120.0 . . ?
C67 C68 C63 121.7(7) . . ?
C67 C68 H68 119.1 . . ?
C63 C68 H68 119.1 . . ?
N71 C71 N72 116.8(6) . . ?
N71 C71 S7 126.2(5) . . ?
N72 C71 S7 116.9(5) . . ?
O71 C72 N71 125.5(6) . . ?
O71 C72 C73 120.4(6) . . ?
N71 C72 C73 113.8(6) . . ?
C78 C73 C74 117.5(7) . . ?
C78 C73 C72 123.1(6) . . ?
C74 C73 C72 119.4(6) . . ?
C75 C74 C73 120.6(8) . . ?
C75 C74 H74 119.7 . . ?
C73 C74 H74 119.7 . . ?
C76 C75 C74 120.6(8) . . ?
C76 C75 H75 119.7 . . ?
C74 C75 H75 119.7 . . ?
C75 C76 C77 121.1(8) . . ?
C75 C76 H76 119.4 . . ?
C77 C76 H76 119.4 . . ?
C76 C77 C78 118.9(9) . . ?
C76 C77 H77 120.6 . . ?
C78 C77 H77 120.6 . . ?
C73 C78 C77 121.3(8) . . ?
C73 C78 H78 119.4 . . ?
C77 C78 H78 119.4 . . ?
710A C79 N72 112.5(7) . . ?
710A C79 710B 50.4(7) . . ?
N72 C79 710B 112.4(7) . . ?
N82 C81 N81 118.8(7) . . ?
N82 C81 S8 116.5(7) . . ?
N81 C81 S8 124.4(6) . . ?
O81 C82 N81 125.6(7) . . ?
O81 C82 C83 118.8(7) . . ?
N81 C82 C83 115.5(7) . . ?
C84 C83 C88 117.7(8) . . ?
C84 C83 C82 121.1(7) . . ?
C88 C83 C82 121.2(8) . . ?
C83 C84 C85 121.3(8) . . ?
C83 C84 H84 119.3 . . ?
C85 C84 H84 119.3 . . ?
C86 C85 C84 122.9(10) . . ?
C86 C85 H85 118.6 . . ?
C84 C85 H85 118.6 . . ?
C87 C86 C85 117.1(11) . . ?
C87 C86 H86 121.4 . . ?
C85 C86 H86 121.4 . . ?
C86 C87 C88 122.7(10) . . ?
C86 C87 H87 118.7 . . ?
C88 C87 H87 118.7 . . ?
C83 C88 C87 118.1(9) . . ?
C83 C88 H88 120.9 . . ?
C87 C88 H88 120.9 . . ?
C19 C110 C111 108.4(6) . . ?
C112 C111 C110 110.8(7) . . ?
N12 C113 C114 112.2(6) . . ?
C115 C114 C113 107.9(6) . . ?
C114 C115 C116 113.4(7) . . ?
C21 N22A C213 123.0(13) . . ?
211A 210A 29A 126(3) . . ?
210A 211A 212A 118(4) . . ?
C21 N22B 29B 117.9(14) . . ?
C21 N22B C213 118.8(14) . . ?
29B N22B C213 110.6(14) . . ?
N22B 29B 211B 166(2) . . ?
212B 211B 29B 117(4) . . ?
212B 212B 211B 102(6) 3_765 . ?
N22A C213 N22B 23.1(8) . . ?
N22A C213 C214 114.9(13) . . ?
N22B C213 C214 91.8(12) . . ?
215B C214 C213 141(2) . . ?
215B C214 215A 80(3) . . ?
C213 C214 215A 94(2) . . ?
215B C216 215A 74(3) . . ?
C214 215A C216 79(3) . . ?
C214 215B C216 104(4) . . ?
C311 C310 C39 106.9(8) . . ?
C310 C311 312B 106.1(9) . . ?
C310 C311 312A 119(3) . . ?
312B C311 312A 58(3) . . ?
314B C313 N32 110.1(9) . . ?
314B C313 314A 22.8(8) . . ?
N32 C313 314A 104.1(8) . . ?
C315 314A C313 88.1(11) . . ?
C313 314B C315 116.1(13) . . ?
316B C315 316A 38(2) . . ?
316B C315 314B 115(2) . . ?
316A C315 314B 109.7(15) . . ?
316B C315 314A 111(2) . . ?
316A C315 314A 87.5(15) . . ?
314B C315 314A 31.7(8) . . ?
C49 C410 C411 114.4(6) . . ?
C410 C411 C412 110.6(7) . . ?
N42 413A 414A 113.9(18) . . ?
415A 414A 413A 99(2) . . ?
414A 415A 416A 128(3) . . ?
N42 413B 414B 106.7(9) . . ?
415B 414B 413B 107.3(9) . . ?
416B 415B 414B 109.4(11) . . ?
C59 C510 C511 106.8(7) . . ?
512B C511 C510 117(2) . . ?
512B C511 512A 8(2) . . ?
C510 C511 512A 108.7(10) . . ?
N52 C513 514A 113.4(8) . . ?
N52 C513 514B 103.0(15) . . ?
514A C513 514B 21.5(15) . . ?
C515 514A C513 114.6(9) . . ?
C513 514B C515 97(3) . . ?
514A C515 516A 104.7(14) . . ?
514A C515 516B 116.0(11) . . ?
516A C515 516B 23.5(9) . . ?
514A C515 514B 17.8(12) . . ?
516A C515 514B 98.3(18) . . ?
516B C515 514B 115.5(15) . . ?
610B C69 N62 113.9(9) . . ?
610B C69 610A 17.9(10) . . ?
N62 C69 610A 107.9(10) . . ?
C69 610A 611A 87.6(17) . . ?
612A 611A 610A 97.0(17) . . ?
C69 610B 612B 119.4(14) . . ?
611B 612B 610B 93(3) . . ?
N62 C613 C614 114.0(6) . . ?
C615 C614 C613 113.8(7) . . ?
C614 C615 616A 103(2) . . ?
C614 C615 616B 121(3) . . ?
616A C615 616B 18.9(13) . . ?
C79 710A 711A 112.4(12) . . ?
712A 711A 710A 108.2(17) . . ?
711B 710B C79 112.1(12) . . ?
712B 711B 710B 105.2(16) . . ?
N72 C713 714A 111.1(8) . . ?
N72 C713 714B 112.9(7) . . ?
714A C713 714B 33.4(8) . . ?
715A 714A C713 112.6(16) . . ?
714A 715A 716A 116.0(19) . . ?
715B 714B C713 108.1(12) . . ?
714B 715B 716B 111.5(15) . . ?
N82 89A 810A 114.2(15) . . ?
811A 810A 89A 105.0(16) . . ?
812A 811A 810A 136(2) . . ?
810B 89B N82 101.8(11) . . ?
89B 810B 811B 100.0(13) . . ?
812B 811B 810B 118(2) . . ?
N82 813A 814A 78.9(17) . . ?
N82 813B 814B 129.3(17) . . ?
815B 814B 813B 135(3) . . ?
814B 815B 816B 141(3) . . ?
O41 Ag1 S1 123.24(11) . . ?
O41 Ag1 S4 87.85(11) . . ?
S1 Ag1 S4 148.63(6) . . ?
O41 Ag1 Ag4 79.11(11) . . ?
S1 Ag1 Ag4 131.45(5) . . ?
S4 Ag1 Ag4 51.98(4) . . ?
O41 Ag1 Ag2 113.98(12) . . ?
S1 Ag1 Ag2 51.89(5) . . ?
S4 Ag1 Ag2 123.10(4) . . ?
Ag4 Ag1 Ag2 80.10(2) . . ?
O11 Ag2 S2 122.94(13) . . ?
O11 Ag2 S1 92.26(13) . . ?
S2 Ag2 S1 143.37(7) . . ?
O11 Ag2 Ag3 123.99(11) . . ?
S2 Ag2 Ag3 53.10(5) . . ?
S1 Ag2 Ag3 117.63(5) . . ?
O11 Ag2 Ag1 87.89(12) . . ?
S2 Ag2 Ag1 131.81(5) . . ?
S1 Ag2 Ag1 50.41(4) . . ?
Ag3 Ag2 Ag1 79.37(3) . . ?
O21 Ag3 S3 123.86(13) . . ?
O21 Ag3 S2 87.39(13) . . ?
S3 Ag3 S2 148.03(6) . . ?
O21 Ag3 Ag2 84.39(13) . . ?
S3 Ag3 Ag2 130.88(5) . . ?
S2 Ag3 Ag2 50.60(5) . . ?
O21 Ag3 Ag4 123.38(13) . . ?
S3 Ag3 Ag4 52.43(5) . . ?
S2 Ag3 Ag4 118.75(5) . . ?
Ag2 Ag3 Ag4 78.67(3) . . ?
O31 Ag4 S4 133.11(13) . . ?
O31 Ag4 S3 88.61(13) . . ?
S4 Ag4 S3 138.27(6) . . ?
O31 Ag4 Ag1 115.30(12) . . ?
S4 Ag4 Ag1 53.17(4) . . ?
S3 Ag4 Ag1 116.07(5) . . ?
O31 Ag4 Ag3 74.40(12) . . ?
S4 Ag4 Ag3 130.98(5) . . ?
S3 Ag4 Ag3 49.80(4) . . ?
Ag1 Ag4 Ag3 79.40(3) . . ?
O81 Ag5 S5 124.67(12) . . ?
O81 Ag5 S8 88.70(12) . . ?
S5 Ag5 S8 146.26(6) . . ?
O81 Ag5 Ag8 84.00(12) . . ?
S5 Ag5 Ag8 129.66(5) . . ?
S8 Ag5 Ag8 50.33(5) . . ?
O81 Ag5 Ag6 122.02(13) . . ?
S5 Ag5 Ag6 52.23(5) . . ?
S8 Ag5 Ag6 117.25(5) . . ?
Ag8 Ag5 Ag6 77.76(2) . . ?
O51 Ag6 S6 129.75(12) . . ?
O51 Ag6 S5 88.56(12) . . ?
S6 Ag6 S5 141.56(6) . . ?
O51 Ag6 Ag7 116.11(11) . . ?
S6 Ag6 Ag7 52.89(5) . . ?
S5 Ag6 Ag7 118.47(5) . . ?
O51 Ag6 Ag5 75.82(12) . . ?
S6 Ag6 Ag5 132.58(5) . . ?
S5 Ag6 Ag5 50.27(4) . . ?
Ag7 Ag6 Ag5 80.75(3) . . ?
O61 Ag7 S7 123.90(12) . . ?
O61 Ag7 S6 89.33(12) . . ?
S7 Ag7 S6 146.31(6) . . ?
O61 Ag7 Ag6 81.57(11) . . ?
S7 Ag7 Ag6 130.85(5) . . ?
S6 Ag7 Ag6 52.10(5) . . ?
O61 Ag7 Ag8 117.00(12) . . ?
S7 Ag7 Ag8 52.08(5) . . ?
S6 Ag7 Ag8 121.24(5) . . ?
Ag6 Ag7 Ag8 79.36(2) . . ?
O71 Ag8 S8 121.95(12) . . ?
O71 Ag8 S7 91.49(12) . . ?
S8 Ag8 S7 145.16(7) . . ?
O71 Ag8 Ag5 123.19(11) . . ?
S8 Ag8 Ag5 52.70(5) . . ?
S7 Ag8 Ag5 119.09(5) . . ?
O71 Ag8 Ag7 87.02(11) . . ?
S8 Ag8 Ag7 132.57(5) . . ?
S7 Ag8 Ag7 50.48(4) . . ?
Ag5 Ag8 Ag7 80.36(3) . . ?
C11 N11 C12 129.6(6) . . ?
C11 N12 C19 123.8(6) . . ?
C11 N12 C113 118.2(6) . . ?
C19 N12 C113 117.0(5) . . ?
C21 N21 C22 126.6(7) . . ?
C31 N31 C32 128.0(6) . . ?
C31 N32 C313 124.5(6) . . ?
C31 N32 C39 119.3(6) . . ?
C313 N32 C39 116.1(6) . . ?
C41 N41 C42 128.1(5) . . ?
C41 N42 413B 126.0(7) . . ?
C41 N42 C49 120.2(5) . . ?
413B N42 C49 113.8(7) . . ?
C41 N42 413A 119.4(10) . . ?
413B N42 413A 14.9(11) . . ?
C49 N42 413A 118.2(10) . . ?
C51 N51 C52 128.5(6) . . ?
C51 N52 C513 124.2(6) . . ?
C51 N52 C59 118.1(6) . . ?
C513 N52 C59 117.6(5) . . ?
C61 N61 C62 128.3(5) . . ?
C61 N62 C613 119.2(6) . . ?
C61 N62 C69 123.7(6) . . ?
C613 N62 C69 116.6(6) . . ?
C71 N71 C72 129.1(6) . . ?
C71 N72 C79 120.3(5) . . ?
C71 N72 C713 122.5(6) . . ?
C79 N72 C713 116.9(5) . . ?
C81 N81 C82 128.0(6) . . ?
C81 N82 89A 128.3(11) . . ?
C81 N82 813B 126.8(8) . . ?
89A N82 813B 104.8(11) . . ?
C81 N82 89B 110.4(8) . . ?
89A N82 89B 21.5(8) . . ?
813B N82 89B 122.1(9) . . ?
C81 N82 813A 114.0(10) . . ?
89A N82 813A 114.3(12) . . ?
813B N82 813A 19.8(9) . . ?
89B N82 813A 134.8(10) . . ?
C12 O11 Ag2 117.3(4) . . ?
C22 O21 Ag3 121.6(4) . . ?
C32 O31 Ag4 124.6(4) . . ?
C42 O41 Ag1 124.4(4) . . ?
C52 O51 Ag6 124.0(4) . . ?
C62 O61 Ag7 121.2(4) . . ?
C72 O71 Ag8 119.1(4) . . ?
C82 O81 Ag5 121.5(4) . . ?
C11 S1 Ag1 105.1(2) . . ?
C11 S1 Ag2 98.5(2) . . ?
Ag1 S1 Ag2 77.70(5) . . ?
C21 S2 Ag2 100.9(3) . . ?
C21 S2 Ag3 103.2(3) . . ?
Ag2 S2 Ag3 76.30(6) . . ?
C31 S3 Ag3 104.2(2) . . ?
C31 S3 Ag4 94.5(2) . . ?
Ag3 S3 Ag4 77.76(6) . . ?
C41 S4 Ag4 103.9(2) . . ?
C41 S4 Ag1 102.0(2) . . ?
Ag4 S4 Ag1 74.85(5) . . ?
C51 S5 Ag5 105.2(2) . . ?
C51 S5 Ag6 96.8(2) . . ?
Ag5 S5 Ag6 77.50(5) . . ?
C61 S6 Ag6 102.4(2) . . ?
C61 S6 Ag7 99.8(2) . . ?
Ag6 S6 Ag7 75.01(5) . . ?
C71 S7 Ag7 104.7(2) . . ?
C71 S7 Ag8 99.1(2) . . ?
Ag7 S7 Ag8 77.44(5) . . ?
C81 S8 Ag8 103.1(3) . . ?
C81 S8 Ag5 101.0(3) . . ?
Ag8 S8 Ag5 76.97(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O11 C12 N11 C11 -26.3(10) . . . . ?
S1 C11 N11 C12 -41.2(9) . . . . ?
O21 C22 N21 C21 26.9(14) . . . . ?
S2 C21 N21 C22 34.0(15) . . . . ?
O31 C32 N31 C31 -19.1(11) . . . . ?
S3 C31 N31 C32 -46.8(10) . . . . ?
O41 C42 N41 C41 22.8(10) . . . . ?
S4 C41 N41 C42 34.0(9) . . . . ?
O51 C52 N51 C51 20.9(11) . . . . ?
S5 C51 N51 C52 40.5(10) . . . . ?
O61 C62 N61 C61 -23.7(11) . . . . ?
S6 C61 N61 C62 -40.5(10) . . . . ?
O71 C72 N71 C71 25.4(10) . . . . ?
S7 C71 N71 C72 39.9(10) . . . . ?
O81 C82 N81 C81 -19.9(12) . . . . ?
S8 C81 N81 C82 -44.5(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.942
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.942
_refine_diff_density_max         0.709
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.103