Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2002

data_yi15ag 

_database_code_CSD	178304


_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Lindoy, Leonard F.'
'Jung, Jong Hwa'
'Lee, Shim Sung'
'Nezhadali, Azizollah'
'Park, Ki-Min'
'Rounaghi, Gholamhossin'
'Yoon, Il'

_publ_contact_author_name     	'Prof Leonard F. Lindoy'  
_publ_contact_author_address 
;
School of Chemistry
University of Sydney
School of Chemistry F11
University of Sydney
Sydney 2006
NSW
2006
AUSTRALIA
;

_publ_contact_author_email       'LLLINDOY@CHEM.USYD.EDU.AU'

_publ_section_title		
;
Competitive bulk membrane transport and solvent extraction of
transition and post transition metal ions using mixed-donor acyclic ligands
as ionophores
;

_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C24 H27 Ag N2 O3 S3' 
_chemical_formula_weight          595.53 

loop_ 
_atom_type_symbol 
_atom_type_description 
_atom_type_scat_dispersion_real 
_atom_type_scat_dispersion_imag 
_atom_type_scat_source 
'C'  'C'   0.0033   0.0016 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'H'  'H'   0.0000   0.0000 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'N'  'N'   0.0061   0.0033 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'O'  'O'   0.0106   0.0060 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'S'  'S'   0.1246   0.1234 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Ag'  'Ag'  -0.8971   1.1015 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P21/c 

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

_cell_length_a                    16.8287(10) 
_cell_length_b                    17.6542(10) 
_cell_length_c                    17.2800(10) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  92.9140(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      5127.2(5) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        plate 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.25 
_exptl_crystal_size_mid           0.2 
_exptl_crystal_size_min           0.06 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.543 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2432 
_exptl_absorpt_coefficient_mu     1.059 
_exptl_absorpt_correction_type    'multi-scan(SADABS)' 
_exptl_absorpt_correction_T_min   0.730104 
_exptl_absorpt_correction_T_max    0.928069 
_exptl_absorpt_process_details    ?


_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       296(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'CCD area detector' 
_diffrn_measurement_method        'phi and omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             33266 
_diffrn_reflns_av_R_equivalents   0.0657 
_diffrn_reflns_av_sigmaI/netI     0.0977 
_diffrn_reflns_limit_h_min        -22 
_diffrn_reflns_limit_h_max        20 
_diffrn_reflns_limit_k_min        -22 
_diffrn_reflns_limit_k_max        23 
_diffrn_reflns_limit_l_min        -23 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          1.21 
_diffrn_reflns_theta_max          28.26 
_reflns_number_total              12430 
_reflns_number_gt                 4922 
_reflns_threshold_expression      >2sigma(I) 

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

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

_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'calc w=1/[\s^2^(Fo^2^)+(0.0397P)^2^+0.6576P] 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          12430 
_refine_ls_number_parameters      605 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1571 
_refine_ls_R_factor_gt            0.0440 
_refine_ls_wR_factor_ref          0.1088 
_refine_ls_wR_factor_gt           0.0801 
_refine_ls_goodness_of_fit_ref    0.912 
_refine_ls_restrained_S_all       0.912 
_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 0.305704(19) 0.29084(2) 0.307308(19) 0.06704(12) Uani 1 1 d . . . 
Ag2 Ag 0.20593(2) 0.66374(2) 0.78674(2) 0.08713(15) Uani 1 1 d . . . 
S1 S 0.18620(7) 0.38147(7) 0.27980(7) 0.0742(3) Uani 1 1 d . . . 
S2 S 0.27342(7) 0.17515(7) 0.39469(7) 0.0783(4) Uani 1 1 d . . . 
S3 S 0.39640(7) 0.26350(7) 0.19159(7) 0.0719(3) Uani 1 1 d . . . 
S4 S 0.26840(9) 0.74232(9) 0.90703(8) 0.0985(5) Uani 1 1 d . . . 
S5 S 0.30536(8) 0.57286(8) 0.72139(8) 0.0894(4) Uani 1 1 d . . . 
S6 S 0.10017(8) 0.73649(10) 0.69734(9) 0.1016(5) Uani 1 1 d . . . 
O1 O 0.4207(3) 0.3805(3) 0.3499(2) 0.156(2) Uani 1 1 d . . . 
O2 O 0.4818(2) 0.4000(2) 0.4562(2) 0.1126(13) Uani 1 1 d . . . 
O3 O 0.3713(2) 0.3393(3) 0.4458(2) 0.1358(16) Uani 1 1 d . . . 
O4 O 0.1545(3) 0.5582(3) 0.8695(4) 0.197(3) Uani 1 1 d . . . 
O5 O 0.0661(3) 0.6128(4) 0.8310(5) 0.188(5) Uani 0.747(10) 1 d P . . 
O5' O 0.1172(9) 0.6312(8) 0.9174(8) 0.095(7) Uani 0.253(10) 1 d P . . 
O6 O 0.0465(2) 0.5285(2) 0.9115(2) 0.1010(12) Uani 1 1 d . . . 
N1 N 0.21150(19) 0.2078(2) 0.21383(19) 0.0645(9) Uani 1 1 d . . . 
N2 N 0.4261(3) 0.3732(2) 0.4178(3) 0.0748(11) Uani 1 1 d . . . 
N3 N 0.2946(2) 0.7596(2) 0.7191(2) 0.0772(11) Uani 1 1 d . . . 
N4 N 0.0899(3) 0.5704(3) 0.8791(3) 0.0834(14) Uani 1 1 d . . . 
C1 C 0.1461(2) 0.2567(3) 0.1838(3) 0.0717(13) Uani 1 1 d . . . 
H1A H 0.1031 0.2254 0.1640 0.086 Uiso 1 1 calc R . . 
H1B H 0.1643 0.2861 0.1415 0.086 Uiso 1 1 calc R . . 
C2 C 0.1149(2) 0.3103(3) 0.2442(3) 0.0761(13) Uani 1 1 d . . . 
H2A H 0.0985 0.2809 0.2873 0.091 Uiso 1 1 calc R . . 
H2B H 0.0686 0.3356 0.2221 0.091 Uiso 1 1 calc R . . 
C3 C 0.2079(3) 0.4319(3) 0.1944(3) 0.0685(12) Uani 1 1 d . . . 
C4 C 0.2844(3) 0.4496(3) 0.1819(3) 0.0903(16) Uani 1 1 d . . . 
H4 H 0.3261 0.4338 0.2183 0.108 Uiso 1 1 calc R . . 
C5 C 0.3025(4) 0.4907(3) 0.1165(4) 0.1065(18) Uani 1 1 d . . . 
H5 H 0.3567 0.5032 0.1072 0.128 Uiso 1 1 calc R . . 
C6 C 0.2412(5) 0.5134(3) 0.0646(3) 0.1026(18) Uani 1 1 d . . . 
H6 H 0.2530 0.5418 0.0192 0.123 Uiso 1 1 calc R . . 
C7 C 0.1653(4) 0.4954(3) 0.0782(4) 0.1015(18) Uani 1 1 d . . . 
H7 H 0.1230 0.5110 0.0422 0.122 Uiso 1 1 calc R . . 
C8 C 0.1483(3) 0.4553(3) 0.1424(3) 0.0874(15) Uani 1 1 d . . . 
H8 H 0.0940 0.4433 0.1517 0.105 Uiso 1 1 calc R . . 
C9 C 0.1813(3) 0.1440(3) 0.2580(3) 0.0777(14) Uani 1 1 d . . . 
H9A H 0.1643 0.1046 0.2226 0.093 Uiso 1 1 calc R . . 
H9B H 0.1356 0.1605 0.2846 0.093 Uiso 1 1 calc R . . 
C10 C 0.2418(3) 0.1121(3) 0.3163(3) 0.0823(14) Uani 1 1 d . . . 
H10A H 0.2879 0.0973 0.2895 0.099 Uiso 1 1 calc R . . 
H10B H 0.2200 0.0672 0.3383 0.099 Uiso 1 1 calc R . . 
C11 C 0.1807(3) 0.1992(3) 0.4344(2) 0.0688(12) Uani 1 1 d . . . 
C12 C 0.1251(3) 0.1433(3) 0.4480(3) 0.0915(16) Uani 1 1 d . . . 
H12 H 0.1360 0.0914 0.4357 0.110 Uiso 1 1 calc R . . 
C13 C 0.0539(4) 0.1627(4) 0.4791(3) 0.0966(17) Uani 1 1 d . . . 
H13 H 0.0162 0.1239 0.4900 0.116 Uiso 1 1 calc R . . 
C14 C 0.0367(3) 0.2365(4) 0.4945(3) 0.0985(18) Uani 1 1 d . . . 
H14 H -0.0137 0.2496 0.5143 0.118 Uiso 1 1 calc R . . 
C15 C 0.0922(3) 0.2927(3) 0.4815(3) 0.0911(15) Uani 1 1 d . . . 
H15 H 0.0806 0.3446 0.4931 0.109 Uiso 1 1 calc R . . 
C16 C 0.1642(3) 0.2736(3) 0.4517(3) 0.0775(14) Uani 1 1 d . . . 
H16 H 0.2028 0.3122 0.4431 0.093 Uiso 1 1 calc R . . 
C17 C 0.2584(3) 0.1798(3) 0.1500(2) 0.0721(13) Uani 1 1 d . . . 
H17A H 0.2226 0.1648 0.1077 0.087 Uiso 1 1 calc R . . 
H17B H 0.2875 0.1357 0.1673 0.087 Uiso 1 1 calc R . . 
C18 C 0.3168(2) 0.2382(3) 0.1207(2) 0.0737(13) Uani 1 1 d . . . 
H18A H 0.2879 0.2833 0.1058 0.088 Uiso 1 1 calc R . . 
H18B H 0.3401 0.2185 0.0753 0.088 Uiso 1 1 calc R . . 
C19 C 0.4403(2) 0.1742(3) 0.2120(3) 0.0659(12) Uani 1 1 d . . . 
C20 C 0.4587(2) 0.1540(3) 0.2881(3) 0.0763(14) Uani 1 1 d . . . 
H20 H 0.4467 0.1882 0.3291 0.092 Uiso 1 1 calc R . . 
C21 C 0.4941(3) 0.0855(4) 0.3057(3) 0.0904(16) Uani 1 1 d . . . 
H21 H 0.5069 0.0722 0.3587 0.108 Uiso 1 1 calc R . . 
C22 C 0.5110(3) 0.0360(3) 0.2475(4) 0.0931(16) Uani 1 1 d . . . 
H22 H 0.5347 -0.0123 0.2599 0.112 Uiso 1 1 calc R . . 
C23 C 0.4940(3) 0.0558(3) 0.1719(4) 0.0861(15) Uani 1 1 d . . . 
H23 H 0.5060 0.0211 0.1313 0.103 Uiso 1 1 calc R . . 
C24 C 0.4599(3) 0.1248(3) 0.1531(3) 0.0770(14) Uani 1 1 d . . . 
H24 H 0.4497 0.1388 0.0998 0.092 Uiso 1 1 calc R . . 
C25 C 0.3423(3) 0.8009(3) 0.7782(3) 0.0883(15) Uani 1 1 d . . . 
H25A H 0.3617 0.8464 0.7552 0.106 Uiso 1 1 calc R . . 
H25B H 0.3877 0.7705 0.7936 0.106 Uiso 1 1 calc R . . 
C26 C 0.2997(3) 0.8222(3) 0.8498(3) 0.0939(16) Uani 1 1 d . . . 
H26A H 0.2537 0.8517 0.8344 0.113 Uiso 1 1 calc R . . 
H26B H 0.3343 0.8537 0.8819 0.113 Uiso 1 1 calc R . . 
C27 C 0.3598(3) 0.6977(4) 0.9338(3) 0.0852(15) Uani 1 1 d . . . 
C28 C 0.4233(4) 0.7370(4) 0.9684(3) 0.0965(17) Uani 1 1 d . . . 
H28 H 0.4183 0.7904 0.9779 0.116 Uiso 1 1 calc R . . 
C29 C 0.4923(4) 0.7014(5) 0.9892(3) 0.109(2) Uani 1 1 d . . . 
H29 H 0.5359 0.7296 1.0128 0.131 Uiso 1 1 calc R . . 
C30 C 0.5001(5) 0.6262(6) 0.9769(4) 0.121(2) Uani 1 1 d . . . 
H30 H 0.5493 0.6011 0.9910 0.146 Uiso 1 1 calc R . . 
C31 C 0.4359(6) 0.5849(4) 0.9434(4) 0.136(3) Uani 1 1 d . . . 
H31 H 0.4406 0.5312 0.9361 0.163 Uiso 1 1 calc R . . 
C32 C 0.3655(4) 0.6218(4) 0.9209(3) 0.114(2) Uani 1 1 d . . . 
H32 H 0.3217 0.5944 0.8968 0.137 Uiso 1 1 calc R . . 
C33 C 0.3448(3) 0.7175(3) 0.6675(3) 0.0869(15) Uani 1 1 d . . . 
H33A H 0.3882 0.7494 0.6538 0.104 Uiso 1 1 calc R . . 
H33B H 0.3142 0.7055 0.6207 0.104 Uiso 1 1 calc R . . 
C34 C 0.3787(3) 0.6441(3) 0.7028(3) 0.0973(17) Uani 1 1 d . . . 
H34A H 0.4073 0.6561 0.7507 0.117 Uiso 1 1 calc R . . 
H34B H 0.4160 0.6233 0.6684 0.117 Uiso 1 1 calc R . . 
C35 C 0.2657(4) 0.5487(3) 0.6266(3) 0.0829(14) Uani 1 1 d . . . 
C36 C 0.1845(4) 0.5403(3) 0.6148(4) 0.1013(17) Uani 1 1 d . . . 
H36 H 0.1503 0.5515 0.6561 0.122 Uiso 1 1 calc R . . 
C37 C 0.1526(5) 0.5163(4) 0.5450(5) 0.131(2) Uani 1 1 d . . . 
H37 H 0.0960 0.5104 0.5381 0.157 Uiso 1 1 calc R . . 
C38 C 0.1980(5) 0.5008(4) 0.4862(5) 0.131(3) Uani 1 1 d . . . 
H38 H 0.1741 0.4841 0.4376 0.157 Uiso 1 1 calc R . . 
C39 C 0.2790(5) 0.5086(3) 0.4951(4) 0.123(2) Uani 1 1 d . . . 
H39 H 0.3116 0.4976 0.4526 0.147 Uiso 1 1 calc R . . 
C40 C 0.3142(3) 0.5327(3) 0.5659(4) 0.1008(17) Uani 1 1 d . . . 
H40 H 0.3709 0.5381 0.5725 0.121 Uiso 1 1 calc R . . 
C41 C 0.2431(3) 0.8131(3) 0.6735(3) 0.0945(17) Uani 1 1 d . . . 
H41A H 0.2743 0.8370 0.6354 0.113 Uiso 1 1 calc R . . 
H41B H 0.2255 0.8520 0.7075 0.113 Uiso 1 1 calc R . . 
C42 C 0.1701(3) 0.7763(3) 0.6324(3) 0.1001(17) Uani 1 1 d . . . 
H42A H 0.1878 0.7368 0.5991 0.120 Uiso 1 1 calc R . . 
H42B H 0.1432 0.8135 0.6003 0.120 Uiso 1 1 calc R . . 
C43 C 0.0719(3) 0.8162(4) 0.7520(4) 0.0920(17) Uani 1 1 d . . . 
C44 C 0.0774(3) 0.8131(4) 0.8319(4) 0.1016(18) Uani 1 1 d . . . 
H44 H 0.0966 0.7680 0.8576 0.122 Uiso 1 1 calc R . . 
C45 C 0.0555(3) 0.8746(5) 0.8749(4) 0.112(2) Uani 1 1 d . . . 
H45 H 0.0591 0.8713 0.9304 0.135 Uiso 1 1 calc R . . 
C46 C 0.0288(4) 0.9401(5) 0.8410(6) 0.125(2) Uani 1 1 d . . . 
H46 H 0.0150 0.9830 0.8718 0.150 Uiso 1 1 calc R . . 
C47 C 0.0221(4) 0.9428(5) 0.7622(6) 0.129(3) Uani 1 1 d . . . 
H47 H 0.0022 0.9882 0.7375 0.155 Uiso 1 1 calc R . . 
C48 C 0.0430(3) 0.8826(5) 0.7166(4) 0.118(2) Uani 1 1 d . . . 
H48 H 0.0379 0.8863 0.6612 0.142 Uiso 1 1 calc R . . 

loop_ 
_atom_site_aniso_label 
_atom_site_aniso_U_11 
_atom_site_aniso_U_22 
_atom_site_aniso_U_33 
_atom_site_aniso_U_23 
_atom_site_aniso_U_13 
_atom_site_aniso_U_12 
Ag1 0.0622(2) 0.0773(2) 0.0613(2) -0.00462(18) 0.00067(16) -0.00411(18) 
Ag2 0.0799(3) 0.0982(3) 0.0847(3) 0.0121(2) 0.0184(2) -0.0208(2) 
S1 0.0693(8) 0.0878(9) 0.0649(8) -0.0104(7) -0.0021(6) 0.0086(7) 
S2 0.0776(8) 0.0838(9) 0.0730(8) 0.0054(7) 0.0003(7) -0.0041(7) 
S3 0.0640(7) 0.0843(9) 0.0678(8) -0.0080(6) 0.0072(6) -0.0071(6) 
S4 0.0962(10) 0.1165(12) 0.0846(10) 0.0018(8) 0.0231(8) -0.0220(9) 
S5 0.0887(10) 0.0965(10) 0.0842(10) 0.0161(8) 0.0158(8) -0.0035(8) 
S6 0.0756(9) 0.1272(13) 0.1019(11) 0.0172(9) 0.0025(8) -0.0282(9) 
O1 0.167(4) 0.238(5) 0.062(3) -0.003(3) -0.005(3) -0.104(4) 
O2 0.120(3) 0.133(3) 0.081(3) 0.007(2) -0.027(2) -0.057(3) 
O3 0.114(3) 0.171(4) 0.122(3) 0.035(3) 0.006(3) -0.063(3) 
O4 0.142(5) 0.132(5) 0.328(8) 0.075(5) 0.120(5) 0.000(3) 
O5 0.109(5) 0.189(7) 0.260(9) 0.173(7) -0.046(5) -0.042(4) 
O5' 0.115(13) 0.062(10) 0.110(12) -0.025(8) 0.029(9) -0.066(9) 
O6 0.079(2) 0.111(3) 0.115(3) 0.040(2) 0.025(2) -0.014(2) 
N1 0.057(2) 0.082(3) 0.055(2) -0.016(2) 0.0035(18) -0.006(2) 
N2 0.078(3) 0.083(3) 0.062(3) 0.004(2) -0.005(2) -0.024(2) 
N3 0.068(2) 0.089(3) 0.075(3) 0.010(2) 0.009(2) -0.021(2) 
N4 0.049(3) 0.102(4) 0.102(3) 0.035(4) 0.025(3) 0.002(3) 
C1 0.051(3) 0.097(4) 0.066(3) -0.013(3) -0.008(2) -0.003(3) 
C2 0.054(3) 0.098(4) 0.077(3) -0.005(3) 0.002(2) 0.003(2) 
C3 0.064(3) 0.073(3) 0.068(3) -0.017(2) -0.006(3) 0.007(3) 
C4 0.082(4) 0.089(4) 0.098(4) 0.011(3) -0.018(3) -0.008(3) 
C5 0.094(4) 0.097(5) 0.129(6) 0.001(4) 0.016(4) -0.019(4) 
C6 0.142(6) 0.086(4) 0.078(4) 0.003(3) -0.010(4) -0.008(4) 
C7 0.098(5) 0.113(5) 0.091(5) 0.003(4) -0.019(4) 0.003(4) 
C8 0.079(4) 0.111(4) 0.071(4) 0.003(3) -0.006(3) 0.014(3) 
C9 0.072(3) 0.088(4) 0.074(3) -0.014(3) 0.005(3) -0.020(3) 
C10 0.088(3) 0.072(3) 0.088(4) -0.003(3) 0.016(3) -0.013(3) 
C11 0.080(3) 0.079(4) 0.048(3) 0.006(2) 0.001(2) -0.009(3) 
C12 0.119(4) 0.092(4) 0.065(3) -0.002(3) 0.019(3) -0.026(4) 
C13 0.104(4) 0.120(5) 0.067(4) -0.010(3) 0.021(3) -0.030(4) 
C14 0.086(4) 0.148(6) 0.062(3) -0.018(4) 0.018(3) -0.004(4) 
C15 0.102(4) 0.104(4) 0.069(3) -0.006(3) 0.020(3) 0.005(4) 
C16 0.089(4) 0.083(4) 0.061(3) -0.003(3) 0.009(3) -0.011(3) 
C17 0.064(3) 0.091(3) 0.060(3) -0.020(3) -0.003(2) -0.006(3) 
C18 0.072(3) 0.097(4) 0.051(3) -0.007(2) 0.002(2) 0.009(3) 
C19 0.046(2) 0.090(3) 0.062(3) -0.010(3) 0.001(2) -0.013(2) 
C20 0.052(3) 0.105(4) 0.072(4) -0.008(3) 0.009(2) 0.001(3) 
C21 0.068(3) 0.119(5) 0.085(4) 0.010(4) 0.004(3) 0.005(3) 
C22 0.059(3) 0.092(4) 0.128(5) -0.001(4) -0.005(3) 0.005(3) 
C23 0.064(3) 0.091(4) 0.103(5) -0.029(3) 0.001(3) -0.004(3) 
C24 0.064(3) 0.102(4) 0.065(3) -0.019(3) 0.005(2) 0.003(3) 
C25 0.077(3) 0.091(4) 0.098(4) 0.013(3) 0.015(3) -0.023(3) 
C26 0.087(4) 0.093(4) 0.103(4) -0.006(3) 0.014(3) -0.018(3) 
C27 0.105(4) 0.096(4) 0.056(3) 0.001(3) 0.015(3) -0.019(4) 
C28 0.105(4) 0.116(5) 0.069(4) -0.001(3) 0.012(3) -0.008(4) 
C29 0.116(6) 0.144(7) 0.067(4) 0.015(4) 0.004(4) -0.023(5) 
C30 0.138(6) 0.143(7) 0.084(5) 0.037(5) 0.020(4) 0.029(6) 
C31 0.218(9) 0.106(6) 0.083(5) 0.009(4) 0.013(5) -0.014(7) 
C32 0.146(6) 0.112(6) 0.082(4) 0.022(4) -0.009(4) -0.005(5) 
C33 0.075(3) 0.104(4) 0.084(4) 0.009(3) 0.020(3) -0.023(3) 
C34 0.073(3) 0.127(5) 0.093(4) 0.001(4) 0.017(3) -0.008(3) 
C35 0.104(4) 0.067(3) 0.079(4) 0.012(3) 0.017(3) 0.000(3) 
C36 0.090(4) 0.115(5) 0.100(5) -0.003(4) 0.016(4) -0.018(4) 
C37 0.129(6) 0.158(7) 0.106(6) -0.016(5) 0.016(5) -0.032(5) 
C38 0.143(7) 0.118(5) 0.130(7) -0.007(5) -0.014(6) -0.022(5) 
C39 0.203(8) 0.095(5) 0.072(5) -0.006(3) 0.019(5) 0.032(5) 
C40 0.100(4) 0.096(4) 0.109(5) 0.016(4) 0.027(4) 0.027(3) 
C41 0.086(4) 0.100(4) 0.098(4) 0.035(3) 0.016(3) -0.010(3) 
C42 0.088(4) 0.131(5) 0.081(4) 0.030(3) 0.003(3) -0.014(3) 
C43 0.047(3) 0.122(5) 0.107(5) 0.023(4) 0.008(3) -0.017(3) 
C44 0.083(4) 0.113(5) 0.110(5) 0.026(4) 0.024(4) -0.010(3) 
C45 0.097(4) 0.122(6) 0.120(5) 0.023(5) 0.034(4) -0.005(4) 
C46 0.094(5) 0.122(7) 0.163(8) 0.011(6) 0.036(5) -0.011(4) 
C47 0.077(4) 0.125(7) 0.185(9) 0.045(6) 0.012(5) 0.012(4) 
C48 0.081(4) 0.154(7) 0.119(6) 0.037(6) -0.003(4) 0.005(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 O1 2.578(4) . ? 
Ag1 S1 2.5948(12) . ? 
Ag1 S2 2.6134(13) . ? 
Ag1 S3 2.6213(12) . ? 
Ag2 O4 2.528(4) . ? 
Ag2 N3 2.575(4) . ? 
Ag2 S5 2.6156(15) . ? 
Ag2 S6 2.6313(15) . ? 
Ag2 S4 2.6698(15) . ? 
S1 C3 1.777(5) . ? 
S1 C2 1.824(4) . ? 
S2 C11 1.787(5) . ? 
S2 C10 1.812(5) . ? 
S3 C19 1.769(5) . ? 
S3 C18 1.824(4) . ? 
S4 C27 1.768(6) . ? 
S4 C26 1.816(5) . ? 
S5 C35 1.789(5) . ? 
S5 C34 1.802(5) . ? 
S6 C43 1.773(6) . ? 
S6 C42 1.809(5) . ? 
O1 N2 1.180(5) . ? 
O2 N2 1.216(4) . ? 
O3 N2 1.220(5) . ? 
O4 N4 1.130(5) . ? 
O4 O5' 1.672(14) . ? 
O5 N4 1.174(6) . ? 
O5 O5' 1.715(15) . ? 
O5' N4 1.329(12) . ? 
O6 N4 1.199(5) . ? 
N1 C9 1.466(5) . ? 
N1 C1 1.473(5) . ? 
N1 C17 1.474(5) . ? 
N3 C25 1.461(6) . ? 
N3 C33 1.463(6) . ? 
N3 C41 1.482(6) . ? 
C1 C2 1.521(6) . ? 
C3 C4 1.352(6) . ? 
C3 C8 1.377(6) . ? 
C4 C5 1.390(7) . ? 
C5 C6 1.391(7) . ? 
C6 C7 1.349(7) . ? 
C7 C8 1.359(7) . ? 
C9 C10 1.506(6) . ? 
C11 C16 1.378(6) . ? 
C11 C12 1.388(6) . ? 
C12 C13 1.381(7) . ? 
C13 C14 1.364(7) . ? 
C14 C15 1.388(7) . ? 
C15 C16 1.381(6) . ? 
C17 C18 1.529(6) . ? 
C19 C20 1.383(6) . ? 
C19 C24 1.392(6) . ? 
C20 C21 1.375(7) . ? 
C21 C22 1.372(7) . ? 
C22 C23 1.370(7) . ? 
C23 C24 1.379(7) . ? 
C25 C26 1.509(6) . ? 
C27 C32 1.362(7) . ? 
C27 C28 1.385(7) . ? 
C28 C29 1.353(8) . ? 
C29 C30 1.352(8) . ? 
C30 C31 1.403(9) . ? 
C31 C32 1.391(9) . ? 
C33 C34 1.530(6) . ? 
C35 C36 1.378(7) . ? 
C35 C40 1.390(7) . ? 
C36 C37 1.363(8) . ? 
C37 C38 1.331(8) . ? 
C38 C39 1.370(9) . ? 
C39 C40 1.398(8) . ? 
C41 C42 1.532(6) . ? 
C43 C44 1.380(7) . ? 
C43 C48 1.399(8) . ? 
C44 C45 1.377(8) . ? 
C45 C46 1.361(8) . ? 
C46 C47 1.362(9) . ? 
C47 C48 1.379(9) . ? 

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 
O1 Ag1 S1 103.72(13) . . ? 
O1 Ag1 S2 119.34(11) . . ? 
S1 Ag1 S2 113.94(4) . . ? 
O1 Ag1 S3 82.72(10) . . ? 
S1 Ag1 S3 116.73(4) . . ? 
S2 Ag1 S3 116.30(4) . . ? 
O4 Ag2 N3 164.52(17) . . ? 
O4 Ag2 S5 92.10(13) . . ? 
N3 Ag2 S5 78.99(10) . . ? 
O4 Ag2 S6 116.82(15) . . ? 
N3 Ag2 S6 78.65(10) . . ? 
S5 Ag2 S6 118.32(5) . . ? 
O4 Ag2 S4 94.32(18) . . ? 
N3 Ag2 S4 78.32(10) . . ? 
S5 Ag2 S4 114.81(5) . . ? 
S6 Ag2 S4 115.55(5) . . ? 
C3 S1 C2 103.0(2) . . ? 
C3 S1 Ag1 105.69(15) . . ? 
C2 S1 Ag1 97.34(15) . . ? 
C11 S2 C10 101.8(2) . . ? 
C11 S2 Ag1 104.31(16) . . ? 
C10 S2 Ag1 96.30(16) . . ? 
C19 S3 C18 101.6(2) . . ? 
C19 S3 Ag1 105.39(15) . . ? 
C18 S3 Ag1 96.97(14) . . ? 
C27 S4 C26 102.4(3) . . ? 
C27 S4 Ag2 106.0(2) . . ? 
C26 S4 Ag2 95.35(18) . . ? 
C35 S5 C34 103.3(2) . . ? 
C35 S5 Ag2 108.92(19) . . ? 
C34 S5 Ag2 96.16(18) . . ? 
C43 S6 C42 102.9(3) . . ? 
C43 S6 Ag2 105.4(2) . . ? 
C42 S6 Ag2 96.40(17) . . ? 
N2 O1 Ag1 103.7(3) . . ? 
N4 O4 O5' 52.4(5) . . ? 
N4 O4 Ag2 107.6(4) . . ? 
O5' O4 Ag2 81.9(5) . . ? 
N4 O5 O5' 50.7(6) . . ? 
N4 O5' O4 42.3(5) . . ? 
N4 O5' O5 43.1(5) . . ? 
O4 O5' O5 66.9(6) . . ? 
C9 N1 C1 111.2(3) . . ? 
C9 N1 C17 110.2(4) . . ? 
C1 N1 C17 110.6(3) . . ? 
O1 N2 O2 121.3(5) . . ? 
O1 N2 O3 115.2(5) . . ? 
O2 N2 O3 123.5(5) . . ? 
C25 N3 C33 111.4(4) . . ? 
C25 N3 C41 109.8(4) . . ? 
C33 N3 C41 109.8(4) . . ? 
C25 N3 Ag2 108.8(3) . . ? 
C33 N3 Ag2 108.0(3) . . ? 
C41 N3 Ag2 108.9(3) . . ? 
O4 N4 O5 108.3(6) . . ? 
O4 N4 O6 124.3(5) . . ? 
O5 N4 O6 122.1(5) . . ? 
O4 N4 O5' 85.3(7) . . ? 
O5 N4 O5' 86.3(8) . . ? 
O6 N4 O5' 118.0(7) . . ? 
N1 C1 C2 113.7(3) . . ? 
C1 C2 S1 114.5(3) . . ? 
C4 C3 C8 119.6(5) . . ? 
C4 C3 S1 119.1(4) . . ? 
C8 C3 S1 121.2(4) . . ? 
C3 C4 C5 120.1(5) . . ? 
C4 C5 C6 119.2(5) . . ? 
C7 C6 C5 119.9(6) . . ? 
C6 C7 C8 120.4(6) . . ? 
C7 C8 C3 120.9(5) . . ? 
N1 C9 C10 113.3(4) . . ? 
C9 C10 S2 115.7(3) . . ? 
C16 C11 C12 119.6(5) . . ? 
C16 C11 S2 120.0(4) . . ? 
C12 C11 S2 120.4(4) . . ? 
C13 C12 C11 119.7(5) . . ? 
C14 C13 C12 120.6(6) . . ? 
C13 C14 C15 120.0(6) . . ? 
C16 C15 C14 119.7(5) . . ? 
C11 C16 C15 120.3(5) . . ? 
N1 C17 C18 113.5(4) . . ? 
C17 C18 S3 113.9(3) . . ? 
C20 C19 C24 119.0(5) . . ? 
C20 C19 S3 119.4(4) . . ? 
C24 C19 S3 121.6(4) . . ? 
C21 C20 C19 120.7(5) . . ? 
C22 C21 C20 120.1(5) . . ? 
C23 C22 C21 119.7(5) . . ? 
C22 C23 C24 120.9(5) . . ? 
C23 C24 C19 119.5(5) . . ? 
N3 C25 C26 115.5(4) . . ? 
C25 C26 S4 114.6(4) . . ? 
C32 C27 C28 120.3(6) . . ? 
C32 C27 S4 117.6(6) . . ? 
C28 C27 S4 122.1(5) . . ? 
C29 C28 C27 121.0(6) . . ? 
C30 C29 C28 120.2(7) . . ? 
C29 C30 C31 119.8(7) . . ? 
C32 C31 C30 119.9(7) . . ? 
C27 C32 C31 118.8(7) . . ? 
N3 C33 C34 113.6(4) . . ? 
C33 C34 S5 114.7(3) . . ? 
C36 C35 C40 118.9(5) . . ? 
C36 C35 S5 118.8(5) . . ? 
C40 C35 S5 122.1(5) . . ? 
C37 C36 C35 120.4(6) . . ? 
C38 C37 C36 121.6(7) . . ? 
C37 C38 C39 120.0(8) . . ? 
C38 C39 C40 120.3(7) . . ? 
C35 C40 C39 118.8(6) . . ? 
N3 C41 C42 114.1(4) . . ? 
C41 C42 S6 114.1(3) . . ? 
C44 C43 C48 118.3(6) . . ? 
C44 C43 S6 119.7(6) . . ? 
C48 C43 S6 121.9(6) . . ? 
C45 C44 C43 120.1(6) . . ? 
C46 C45 C44 122.0(7) . . ? 
C45 C46 C47 117.9(8) . . ? 
C46 C47 C48 122.3(8) . . ? 
C47 C48 C43 119.3(7) . . ? 

_diffrn_measured_fraction_theta_max    0.978 
_diffrn_reflns_theta_full              28.26 
_diffrn_measured_fraction_theta_full   0.978 
_refine_diff_density_max    0.582 
_refine_diff_density_min   -0.482 
_refine_diff_density_rms    0.057