Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2003

data_global
_journal_name_full               'J.Chem.Soc.,Dalton Trans.'

_journal_coden_Cambridge         0186

loop_
_publ_author_name
'Marti Schroder'
'Alexander J. Blake'
'Mark W. Glenny'
'Claire Wilson'

_publ_contact_author_name        'Prof Martin Schroder'
_publ_contact_author_address     
;
Department of Chemistry 
The University of Nottingham 
University Park 
Nottingham 
NG7 2RD 
UNITED KINGDOM
;

_publ_contact_author_email       M.SCHRODER@NOTTINGHAM.AC.UK

_publ_section_title              
;
Anion effects in selective bifunctional metal salt
extractants based on aza-thioether macrocycles: Co-operative
cation-anion binding
;

data_S2N2TB
_database_code_CSD               195912

_refine_special_details          
;
The dichloromethane solvent was modelled over two sites which were found
to be occupied in the ratio 80:20.  A difference electron density peak
of 1.46 e/A^3^ remains in the solvent region but this cannot sensibly be
incorporated into the disorder model.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H46 N6 O5 S2, C H2 Cl2'
_chemical_formula_sum            'C25 H48 Cl2 N6 O5 S2'
_chemical_formula_weight         647.71

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'
Cl Cl 0.1484 0.1585 '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                   10.3080(7)
_cell_length_b                   10.3129(7)
_cell_length_c                   16.9116(11)
_cell_angle_alpha                88.351(1)
_cell_angle_beta                 84.537(1)
_cell_angle_gamma                72.061(1)
_cell_volume                     1702.6(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    4754
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      28.39

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             692
_exptl_absorpt_coefficient_mu    0.354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.684
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART1000 CCD area detector'
_diffrn_measurement_method       omega
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        none
_diffrn_reflns_number            17399
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_av_sigmaI/netI    0.015
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         26.00
_reflns_number_total             7793
_reflns_number_gt                5620
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART version 5.054 (Bruker, 1998)'
_computing_cell_refinement       'Bruker SAINT version 6.01 (Bruker, 1999)'
_computing_data_reduction        'Bruker SAINT; Bruker SHELXTL (Bruker, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'SHELXL-97; PLATON (Spek, 2001)'

_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^)+(0.1041P)^2^+1.4976P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     'direct methods'
_atom_sites_solution_secondary   'difference Fourier'
_atom_sites_solution_hydrogens   'geometrically placed'
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6625
_refine_ls_number_parameters     369
_refine_ls_number_restraints     95
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0595
_refine_ls_wR_factor_ref         0.1804
_refine_ls_wR_factor_gt          0.1715
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.70726(9) 0.57487(7) 0.39726(4) 0.0476(2) Uani 1 1 d U . .
N1 N 0.6780(2) 0.68143(19) 0.75856(11) 0.0277(4) Uani 1 1 d U . .
O1 O 0.7022(3) 0.8624(2) 0.47095(11) 0.0520(5) Uani 1 1 d U . .
C1 C 0.6811(3) 0.8191(2) 0.73676(14) 0.0325(5) Uani 1 1 d U . .
H1A H 0.7337 0.8503 0.7741 0.039 Uiso 1 1 calc R . .
H1B H 0.5867 0.8828 0.7406 0.039 Uiso 1 1 calc R . .
S2 S 0.75619(9) 0.99055(7) 0.63144(4) 0.0461(2) Uani 1 1 d U . .
O2 O 0.5081(2) 0.86010(18) 0.89027(12) 0.0464(5) Uani 1 1 d U . .
N2 N 0.7375(2) 0.4698(2) 0.63259(11) 0.0298(4) Uani 1 1 d U . .
C2 C 0.7470(3) 0.8201(3) 0.65262(15) 0.0397(6) Uani 1 1 d U . .
H2A H 0.6917 0.7947 0.6145 0.048 Uiso 1 1 calc R . .
H2B H 0.8400 0.7536 0.6476 0.048 Uiso 1 1 calc R . .
O3 O 0.3738(2) 0.61806(18) 1.05722(11) 0.0405(4) Uani 1 1 d U . .
N3 N 0.5064(2) 0.6606(2) 0.95114(11) 0.0291(4) Uani 1 1 d U . .
H3N H 0.5455 0.5719 0.9478 0.035 Uiso 1 1 calc R . .
C3 C 0.8435(4) 0.9678(4) 0.53233(19) 0.0597(9) Uani 1 1 d U . .
H3A H 0.8899 1.0386 0.5232 0.072 Uiso 1 1 calc R . .
H3B H 0.9155 0.8782 0.5301 0.072 Uiso 1 1 calc R . .
O4 O 1.0277(2) 0.21439(18) 0.70761(12) 0.0422(4) Uani 1 1 d U . .
N4 N 0.3399(2) 0.8379(2) 1.01931(11) 0.0285(4) Uani 1 1 d U . .
H4N H 0.3677 0.8919 0.9852 0.034 Uiso 1 1 calc R . .
C4 C 0.7549(5) 0.9744(3) 0.46531(18) 0.0632(10) Uani 1 1 d U . .
H4A H 0.6785 1.0608 0.4684 0.076 Uiso 1 1 calc R . .
H4B H 0.8097 0.9717 0.4137 0.076 Uiso 1 1 calc R . .
N5 N 0.9441(2) 0.4456(2) 0.72695(12) 0.0320(4) Uani 1 1 d U . .
H5N H 0.8790 0.5179 0.7130 0.038 Uiso 1 1 calc R . .
O5 O 1.0123(2) 0.58755(19) 0.80205(12) 0.0415(4) Uani 1 1 d U . .
C5 C 0.6253(4) 0.8601(3) 0.40583(19) 0.0552(8) Uani 1 1 d U . .
H5A H 0.6831 0.8564 0.3552 0.066 Uiso 1 1 calc R . .
H5B H 0.5459 0.9439 0.4059 0.066 Uiso 1 1 calc R . .
N6 N 1.1282(2) 0.3591(2) 0.80320(12) 0.0348(5) Uani 1 1 d U . .
H6N H 1.1309 0.2802 0.7834 0.042 Uiso 1 1 calc R . .
C6 C 0.5766(4) 0.7367(3) 0.41347(19) 0.0517(7) Uani 1 1 d U . .
H6A H 0.5077 0.7455 0.3751 0.062 Uiso 1 1 calc R . .
H6B H 0.5300 0.7365 0.4674 0.062 Uiso 1 1 calc R . .
C7 C 0.7767(3) 0.5396(3) 0.49322(15) 0.0379(6) Uani 1 1 d U . .
H7A H 0.8657 0.4665 0.4869 0.045 Uiso 1 1 calc R . .
H7B H 0.7937 0.6223 0.5122 0.045 Uiso 1 1 calc R . .
C8 C 0.6818(3) 0.4961(3) 0.55511(14) 0.0339(5) Uani 1 1 d U . .
H8A H 0.5924 0.5685 0.5609 0.041 Uiso 1 1 calc R . .
H8B H 0.6659 0.4125 0.5366 0.041 Uiso 1 1 calc R . .
C9 C 0.6279(3) 0.4900(3) 0.69815(14) 0.0326(5) Uani 1 1 d U . .
H9A H 0.6642 0.4332 0.7441 0.039 Uiso 1 1 calc R . .
H9B H 0.5524 0.4602 0.6809 0.039 Uiso 1 1 calc R . .
C10 C 0.5729(2) 0.6387(2) 0.72329(14) 0.0307(5) Uani 1 1 d U . .
H10A H 0.5432 0.6963 0.6765 0.037 Uiso 1 1 calc R . .
H10B H 0.4922 0.6516 0.7624 0.037 Uiso 1 1 calc R . .
C11 C 0.6815(3) 0.6528(2) 0.84336(13) 0.0312(5) Uani 1 1 d U . .
H11A H 0.7637 0.6695 0.8611 0.037 Uiso 1 1 calc R . .
H11B H 0.6916 0.5549 0.8518 0.037 Uiso 1 1 calc R . .
C12 C 0.5558(3) 0.7365(2) 0.89592(13) 0.0313(5) Uani 1 1 d U . .
C13 C 0.4013(2) 0.7052(2) 1.01274(13) 0.0286(5) Uani 1 1 d U . .
C14 C 0.2270(2) 0.9015(2) 1.08062(14) 0.0303(5) Uani 1 1 d U . .
C15 C 0.2772(3) 0.8724(3) 1.16342(15) 0.0411(6) Uani 1 1 d U . .
H15A H 0.3544 0.9078 1.1672 0.062 Uiso 1 1 calc R . .
H15B H 0.3067 0.7738 1.1728 0.062 Uiso 1 1 calc R . .
H15C H 0.2027 0.9170 1.2034 0.062 Uiso 1 1 calc R . .
C16 C 0.1878(3) 1.0539(3) 1.06388(16) 0.0407(6) Uani 1 1 d U . .
H16A H 0.1557 1.0719 1.0108 0.061 Uiso 1 1 calc R . .
H16B H 0.2679 1.0853 1.0666 0.061 Uiso 1 1 calc R . .
H16C H 0.1147 1.1026 1.1035 0.061 Uiso 1 1 calc R . .
C17 C 0.1067(3) 0.8480(3) 1.0724(2) 0.0471(7) Uani 1 1 d U . .
H17A H 0.0765 0.8679 1.0190 0.071 Uiso 1 1 calc R . .
H17B H 0.0311 0.8924 1.1119 0.071 Uiso 1 1 calc R . .
H17C H 0.1351 0.7493 1.0812 0.071 Uiso 1 1 calc R . .
C18 C 0.8403(3) 0.3370(3) 0.63577(15) 0.0359(5) Uani 1 1 d U . .
H18A H 0.8883 0.3144 0.5820 0.043 Uiso 1 1 calc R . .
H18B H 0.7932 0.2680 0.6499 0.043 Uiso 1 1 calc R . .
C19 C 0.9467(3) 0.3259(2) 0.69423(14) 0.0327(5) Uani 1 1 d U . .
C20 C 1.0320(2) 0.4700(3) 0.78070(14) 0.0323(5) Uani 1 1 d U . .
C21 C 1.2305(3) 0.3588(3) 0.85886(15) 0.0390(6) Uani 1 1 d U . .
C22 C 1.3183(3) 0.2101(4) 0.8642(2) 0.0550(8) Uani 1 1 d U . .
H22A H 1.3648 0.1788 0.8117 0.083 Uiso 1 1 calc R . .
H22B H 1.2598 0.1539 0.8821 0.083 Uiso 1 1 calc R . .
H22C H 1.3865 0.2021 0.9021 0.083 Uiso 1 1 calc R . .
C23 C 1.3174(3) 0.4480(4) 0.8272(2) 0.0557(8) Uani 1 1 d U . .
H23A H 1.2592 0.5428 0.8243 0.084 Uiso 1 1 calc R . .
H23B H 1.3603 0.4166 0.7740 0.084 Uiso 1 1 calc R . .
H23C H 1.3886 0.4418 0.8628 0.084 Uiso 1 1 calc R . .
C24 C 1.1575(3) 0.4086(4) 0.94016(17) 0.0533(8) Uani 1 1 d U . .
H24A H 1.1014 0.5040 0.9363 0.080 Uiso 1 1 calc R . .
H24B H 1.2255 0.4009 0.9782 0.080 Uiso 1 1 calc R . .
H24C H 1.0987 0.3528 0.9582 0.080 Uiso 1 1 calc R . .
C1A C 0.0948(4) 0.8616(4) 0.7414(2) 0.0996(10) Uani 0.80 1 d PDU A 1
Cl1A Cl 0.17190(17) 0.76342(12) 0.65409(9) 0.0814(4) Uani 0.80 1 d PDU A 1
Cl2A Cl 0.21262(11) 0.87964(13) 0.80683(11) 0.0888(5) Uani 0.80 1 d PDU A 1
Cl1' Cl 0.1101(3) 0.7662(3) 0.60451(17) 0.0297(5) Uiso 0.20 1 d PDU B 2
C1' C 0.2305(13) 0.794(5) 0.6664(14) 0.17(2) Uiso 0.20 1 d PDU B 2
Cl2' Cl 0.0948(4) 0.8616(4) 0.7414(2) 0.0996(10) Uani 0.20 1 d PDU B 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
S1 0.0696(5) 0.0405(4) 0.0293(3) -0.0045(3) -0.0069(3) -0.0110(3)
N1 0.0322(10) 0.0269(10) 0.0249(9) -0.0023(7) 0.0007(7) -0.0113(8)
O1 0.0888(16) 0.0426(11) 0.0319(10) 0.0005(8) 0.0000(10) -0.0325(11)
C1 0.0406(13) 0.0284(12) 0.0299(12) -0.0038(9) 0.0020(10) -0.0137(10)
S2 0.0735(5) 0.0381(4) 0.0355(4) -0.0043(3) 0.0064(3) -0.0330(4)
O2 0.0581(12) 0.0276(9) 0.0427(10) 0.0017(8) 0.0183(9) -0.0043(8)
N2 0.0325(10) 0.0290(10) 0.0284(10) -0.0034(8) -0.0024(8) -0.0098(8)
C2 0.0581(17) 0.0327(13) 0.0338(13) -0.0045(10) 0.0087(11) -0.0251(12)
O3 0.0473(11) 0.0263(9) 0.0420(10) -0.0016(7) 0.0153(8) -0.0082(8)
N3 0.0341(10) 0.0233(9) 0.0281(9) -0.0031(7) 0.0030(8) -0.0077(8)
C3 0.086(2) 0.0582(19) 0.0484(17) -0.0065(14) 0.0227(16) -0.0494(19)
O4 0.0421(10) 0.0294(9) 0.0500(11) -0.0022(8) -0.0072(8) -0.0022(8)
N4 0.0322(10) 0.0257(9) 0.0262(9) -0.0025(7) 0.0019(8) -0.0080(8)
C4 0.116(3) 0.0478(18) 0.0346(15) -0.0021(12) 0.0160(16) -0.044(2)
N5 0.0305(10) 0.0292(10) 0.0363(11) -0.0002(8) -0.0063(8) -0.0084(8)
O5 0.0444(11) 0.0370(10) 0.0471(11) -0.0024(8) -0.0112(8) -0.0164(8)
C5 0.084(2) 0.0407(16) 0.0396(15) 0.0037(12) -0.0090(15) -0.0158(15)
N6 0.0304(10) 0.0400(12) 0.0337(11) 0.0016(9) -0.0045(8) -0.0103(9)
C6 0.065(2) 0.0407(15) 0.0475(16) -0.0012(12) -0.0149(14) -0.0110(14)
C7 0.0404(14) 0.0415(14) 0.0325(12) -0.0032(10) -0.0030(10) -0.0136(11)
C8 0.0342(13) 0.0374(13) 0.0314(12) -0.0040(10) -0.0054(10) -0.0121(10)
C9 0.0365(13) 0.0333(12) 0.0313(12) -0.0020(9) 0.0015(10) -0.0170(10)
C10 0.0275(11) 0.0333(12) 0.0322(12) -0.0025(9) 0.0018(9) -0.0119(10)
C11 0.0356(13) 0.0278(11) 0.0267(11) -0.0017(9) 0.0023(9) -0.0060(10)
C12 0.0368(13) 0.0293(12) 0.0258(11) -0.0026(9) 0.0010(9) -0.0084(10)
C13 0.0295(11) 0.0276(11) 0.0279(11) -0.0046(9) -0.0001(9) -0.0080(9)
C14 0.0288(11) 0.0281(11) 0.0299(11) -0.0053(9) 0.0021(9) -0.0037(9)
C15 0.0495(16) 0.0380(14) 0.0290(12) -0.0051(10) 0.0015(11) -0.0043(12)
C16 0.0428(15) 0.0304(13) 0.0407(14) -0.0026(10) 0.0027(11) -0.0007(11)
C17 0.0316(13) 0.0477(16) 0.0606(18) -0.0105(13) 0.0046(12) -0.0119(12)
C18 0.0409(14) 0.0291(12) 0.0367(13) -0.0066(10) -0.0052(10) -0.0081(10)
C19 0.0326(12) 0.0312(12) 0.0327(12) -0.0016(9) 0.0005(9) -0.0082(10)
C20 0.0314(12) 0.0370(13) 0.0306(12) 0.0019(10) -0.0015(9) -0.0142(10)
C21 0.0322(13) 0.0553(16) 0.0293(12) 0.0038(11) -0.0035(10) -0.0132(12)
C22 0.0415(16) 0.064(2) 0.0509(17) 0.0025(15) -0.0134(13) -0.0018(14)
C23 0.0449(16) 0.085(2) 0.0491(17) 0.0122(16) -0.0128(13) -0.0353(17)
C24 0.0476(17) 0.075(2) 0.0313(14) -0.0008(13) -0.0013(12) -0.0098(15)
C1A 0.095(2) 0.088(2) 0.109(2) -0.0161(17) 0.0120(18) -0.0234(17)
Cl1A 0.0941(10) 0.0437(6) 0.0965(10) -0.0096(6) 0.0385(8) -0.0197(6)
Cl2A 0.0411(6) 0.0544(6) 0.1615(14) -0.0472(8) -0.0194(7) 0.0064(5)
Cl2' 0.095(2) 0.088(2) 0.109(2) -0.0161(17) 0.0120(18) -0.0234(17)

_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
N1 C1 1.468(3) . y
N1 C10 1.466(3) . y
N1 C11 1.457(3) . y
N2 C2 1.476(3) . y
N2 C3 1.465(3) . y
N2 C18 1.454(3) . y
N3 C12 1.363(3) . ?
N3 C13 1.405(3) . ?
N4 C13 1.322(3) . ?
N4 C14 1.483(3) . ?
N5 C19 1.359(3) . ?
N5 C20 1.422(3) . ?
N6 C20 1.336(3) . ?
N6 C21 1.478(3) . ?
O1 C6 1.422(4) . y
O1 C7 1.417(4) . y
O2 C12 1.221(3) . ?
O3 C13 1.237(3) . ?
O4 C19 1.225(3) . ?
O5 C20 1.225(3) . ?
S1 C4 1.818(3) . y
S1 C5 1.802(3) . y
S2 C8 1.811(3) . y
S2 C9 1.813(3) . y
C1 C2 1.520(3) . ?
C3 C4 1.517(4) . ?
C5 C6 1.503(5) . ?
C7 C8 1.509(5) . ?
C9 C10 1.518(3) . ?
C11 C12 1.533(3) . ?
C14 C15 1.529(3) . ?
C14 C16 1.523(3) . ?
C14 C17 1.523(4) . ?
C18 C19 1.522(3) . ?
C21 C22 1.527(4) . ?
C21 C23 1.525(4) . ?
C21 C24 1.525(4) . ?
C1A Cl2A 1.772(4) . ?
C1A Cl1A 1.790(3) . ?
Cl1' C1' 1.788(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
N1 C1 C2 110.82(19) . . ?
N1 C10 C9 110.28(19) . . ?
N1 C11 C12 115.3(2) . . ?
N2 C2 C1 111.09(19) . . ?
N2 C3 C4 112.3(2) . . ?
N2 C18 C19 115.1(2) . . ?
N3 C12 C11 113.6(2) . . ?
N3 C13 N4 117.3(2) . . ?
O1 C6 C5 108.6(2) . . ?
O1 C7 C8 109.4(3) . . ?
O2 C12 N3 123.6(2) . . ?
O2 C12 C11 122.7(2) . . ?
O3 C13 N3 118.0(2) . . ?
O3 C13 N4 124.7(2) . . ?
N4 C14 C15 110.08(19) . . ?
N4 C14 C16 105.3(2) . . ?
N4 C14 C17 109.6(2) . . ?
N5 C20 N6 115.1(2) . . ?
N5 C19 C18 115.3(2) . . ?
N6 C21 C22 105.3(2) . . ?
N6 C21 C23 110.4(2) . . ?
N6 C21 C24 109.5(2) . . ?
O4 C19 N5 125.0(2) . . ?
O4 C19 C18 119.7(2) . . ?
O5 C20 N5 118.1(2) . . ?
O5 C20 N6 126.8(2) . . ?
C3 N2 C2 111.64(19) . . y
C3 C4 S1 112.59(18) . . ?
C5 S1 C4 102.73(14) . . y
C6 C5 S1 115.8(3) . . ?
C7 O1 C6 111.1(2) . . y
C7 C8 S2 116.0(3) . . ?
C8 S2 C9 100.98(14) . . y
C10 N1 C1 114.80(19) . . y
C10 C9 S2 108.02(17) . . ?
C11 N1 C1 112.95(19) . . y
C11 N1 C10 113.99(18) . . ?
C12 N3 C13 128.7(2) . . ?
C13 N4 C14 124.1(2) . . ?
C16 C14 C15 109.9(2) . . ?
C16 C14 C17 110.8(2) . . ?
C17 C14 C15 111.1(2) . . ?
C18 N2 C2 112.4(2) . . y
C18 N2 C3 112.14(19) . . y
C19 N5 C20 128.9(2) . . ?
C20 N6 C21 125.0(2) . . ?
C23 C21 C22 110.8(3) . . ?
C23 C21 C24 110.8(3) . . ?
C24 C21 C22 109.9(2) . . ?
Cl2A C1A Cl1A 114.6(2) . . ?

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
N1 C1 C2 N2 -66.2(3) . . . . y
N1 C11 C12 O2 -48.5(3) . . . . ?
N1 C11 C12 N3 134.0(2) . . . . ?
N2 C3 C4 S1 -179.15(17) . . . . y
N2 C18 C19 O4 171.7(2) . . . . ?
N2 C18 C19 N5 -9.3(3) . . . . ?
O1 C7 C8 S2 -66.1(4) . . . . y
S1 C5 C6 O1 -69.9(3) . . . . y
S2 C9 C10 N1 -176.93(18) . . . . y
C1 N1 C10 C9 -75.9(3) . . . . y
C1 N1 C11 C12 -67.7(3) . . . . ?
C2 N2 C3 C4 153.8(2) . . . . y
C2 N2 C18 C19 -80.3(3) . . . . ?
C3 N2 C2 C1 -85.4(2) . . . . y
C3 N2 C18 C19 153.0(2) . . . . ?
C4 S1 C5 C6 82.8(2) . . . . y
C5 S1 C4 C3 74.5(2) . . . . y
C6 O1 C7 C8 -176.2(3) . . . . y
C7 O1 C6 C5 177.9(3) . . . . y
C8 S2 C9 C10 177.4(2) . . . . y
C9 S2 C8 C7 82.4(3) . . . . y
C10 N1 C1 C2 140.5(2) . . . . y
C10 N1 C11 C12 65.7(3) . . . . ?
C11 N1 C1 C2 -86.5(2) . . . . ?
C11 N1 C10 C9 151.6(2) . . . . ?
C12 N3 C13 O3 -179.0(2) . . . . ?
C12 N3 C13 N4 0.3(4) . . . . ?
C13 N3 C12 O2 -3.6(4) . . . . ?
C13 N3 C12 C11 173.9(2) . . . . ?
C13 N4 C14 C16 -178.9(2) . . . . ?
C13 N4 C14 C17 -59.7(3) . . . . ?
C13 N4 C14 C15 62.7(3) . . . . ?
C14 N4 C13 O3 -1.0(4) . . . . ?
C14 N4 C13 N3 179.7(2) . . . . ?
C18 N2 C3 C4 -79.1(3) . . . . ?
C18 N2 C2 C1 147.6(2) . . . . ?
C19 N5 C20 O5 178.9(2) . . . . ?
C19 N5 C20 N6 -1.7(4) . . . . ?
C20 N5 C19 O4 1.4(4) . . . . ?
C20 N5 C19 C18 -177.5(2) . . . . ?
C20 N6 C21 C23 -59.2(3) . . . . ?
C20 N6 C21 C24 63.0(3) . . . . ?
C20 N6 C21 C22 -178.9(2) . . . . ?
C21 N6 C20 O5 -0.3(4) . . . . ?
C21 N6 C20 N5 -179.6(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N3 H3N O3 0.88 1.88 2.759(3) 178.6 2_667
N4 H4N O2 0.88 2.02 2.705(3) 134.1 .
N5 H5N N2 0.88 2.25 2.728(3) 113.5 .
N5 H5N N1 0.88 2.31 3.068(3) 143.8 .
N6 H6N O4 0.88 2.00 2.706(3) 136.8 .

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.46
_refine_diff_density_min         -0.55
_refine_diff_density_rms         0.07

data_L1.AgNO3
_database_code_CSD               195913

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H92 Ag2 N12 O10 S4 2+, 2(N O3 -)'
_chemical_formula_sum            'C48 H92 Ag2 N14 O16 S4'
_chemical_formula_weight         1465.34

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           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   12.8639(3)
_cell_length_b                   15.5509(4)
_cell_length_c                   17.1342(7)
_cell_angle_alpha                93.6089(12)
_cell_angle_beta                 96.4705(12)
_cell_angle_gamma                110.9970(16)
_cell_volume                     3159.85(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    53185
_cell_measurement_theta_min      2.9
_cell_measurement_theta_max      27.8

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1528
_exptl_absorpt_coefficient_mu    0.826
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.897
_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_process_details   'Blessing (1995)'

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Enraf Nonius kappaCCD area detector'
_diffrn_measurement_method       'phi and omega'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         .
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        none
_diffrn_reflns_number            46416
_diffrn_reflns_av_R_equivalents  0.125
_diffrn_reflns_av_sigmaI/netI    0.143
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         27.84
_reflns_number_total             14123
_reflns_number_gt                7759
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
'DENZO (Otwinowski & Minor, 1997); COLLECT (Hooft, 1999)'
_computing_cell_refinement       'DENZO and COLLECT'
_computing_data_reduction        'DENZO and COLLECT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL/PC v5.03 (Sheldrick, 1994)'
_computing_publication_material  'SHELXS-97; PLATON (Spek, 2000)'

_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^)+(0.0383P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     'Patterson methods'
_atom_sites_solution_secondary   'difference Fourier methods'
_atom_sites_solution_hydrogens   'placed geometrically'
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       none
_refine_ls_number_reflns         14123
_refine_ls_number_parameters     757
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1336
_refine_ls_R_factor_gt           0.0539
_refine_ls_wR_factor_ref         0.1200
_refine_ls_wR_factor_gt          0.0959
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_restrained_S_all      0.982
_refine_ls_shift/su_max          0.002
_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 0.75484(3) 0.89567(2) 0.71870(2) 0.03010(11) Uani 1 1 d . . .
S1 S 0.61796(10) 0.68089(8) 0.70276(7) 0.0358(3) Uani 1 1 d . . .
N1 N 0.7654(3) 0.4768(2) 0.8256(2) 0.0306(9) Uani 1 1 d . . .
C1 C 0.6582(4) 0.4502(3) 0.8583(3) 0.0330(11) Uani 1 1 d . . .
H1A H 0.6489 0.3946 0.8863 0.040 Uiso 1 1 calc R . .
H1B H 0.5954 0.4331 0.8141 0.040 Uiso 1 1 calc R . .
O1 O 0.6796(3) 0.5939(2) 0.56732(18) 0.0357(8) Uani 1 1 d . . .
O1A O -0.0602(3) 0.6280(2) 0.0440(2) 0.0488(9) Uani 1 1 d . . .
N1A N 0.0010(4) 0.7096(3) 0.0695(2) 0.0394(10) Uani 1 1 d . . .
Ag2 Ag 0.77666(3) 0.61843(2) 0.76557(2) 0.03230(11) Uani 1 1 d . . .
S2 S 0.87156(10) 0.54316(8) 0.66411(7) 0.0371(3) Uani 1 1 d . . .
O2 O 0.9712(3) 0.6371(2) 0.8568(2) 0.0429(8) Uani 1 1 d . . .
C2 C 0.6504(4) 0.5260(3) 0.9151(3) 0.0352(11) Uani 1 1 d . . .
H2A H 0.5794 0.5020 0.9379 0.042 Uiso 1 1 calc R . .
H2B H 0.7138 0.5446 0.9590 0.042 Uiso 1 1 calc R . .
N2 N 0.6536(3) 0.6079(2) 0.8744(2) 0.0306(9) Uani 1 1 d . . .
N2A N 0.4447(3) 0.7642(3) 0.4351(2) 0.0340(9) Uani 1 1 d . . .
O2A O -0.0331(3) 0.7730(2) 0.0571(2) 0.0621(11) Uani 1 1 d . . .
S3 S 0.70035(10) 0.97881(8) 0.83491(7) 0.0362(3) Uani 1 1 d . . .
N3 N 1.0623(3) 0.5447(3) 0.9053(2) 0.0358(9) Uani 1 1 d . . .
H3A H 1.0506 0.4863 0.9113 0.043 Uiso 1 1 calc R . .
O3A O 0.0956(3) 0.7262(2) 0.1086(2) 0.0579(10) Uani 1 1 d . . .
O3 O 1.2472(3) 0.5752(2) 0.9453(2) 0.0510(9) Uani 1 1 d . . .
C3 C 0.5408(4) 0.5985(3) 0.8381(3) 0.0362(11) Uani 1 1 d . . .
H3B H 0.4950 0.6002 0.8805 0.043 Uiso 1 1 calc R . .
H3C H 0.5048 0.5372 0.8064 0.043 Uiso 1 1 calc R . .
S4 S 0.87906(10) 0.80292(8) 0.75142(7) 0.0318(3) Uani 1 1 d . . .
O4 O 0.5899(3) 0.6751(2) 1.01988(19) 0.0380(8) Uani 1 1 d . . .
C4 C 0.5399(4) 0.6736(3) 0.7850(3) 0.0400(12) Uani 1 1 d . . .
H4A H 0.5708 0.7343 0.8179 0.048 Uiso 1 1 calc R . .
H4B H 0.4607 0.6625 0.7640 0.048 Uiso 1 1 calc R . .
O4A O 0.3506(3) 0.7500(2) 0.3985(2) 0.0498(9) Uani 1 1 d . . .
N4 N 1.1950(3) 0.6958(3) 0.9144(2) 0.0420(10) Uani 1 1 d . . .
H4C H 1.1392 0.7093 0.8909 0.050 Uiso 1 1 calc R . .
O5 O 0.7869(3) 0.9503(2) 1.1009(2) 0.0467(9) Uani 1 1 d . . .
N5 N 0.7271(3) 0.8168(3) 1.0194(2) 0.0369(9) Uani 1 1 d . . .
H5A H 0.7769 0.8475 0.9901 0.044 Uiso 1 1 calc R . .
O5A O 0.4683(3) 0.6981(2) 0.4597(2) 0.0449(9) Uani 1 1 d . . .
C5 C 0.5238(4) 0.5895(3) 0.6287(3) 0.0371(12) Uani 1 1 d . . .
H5B H 0.4592 0.5495 0.6524 0.045 Uiso 1 1 calc R . .
H5C H 0.4945 0.6170 0.5849 0.045 Uiso 1 1 calc R . .
O6 O 0.8968(2) 0.9074(2) 0.90730(17) 0.0337(7) Uani 1 1 d . . .
O6A O 0.5187(3) 0.8443(2) 0.4456(2) 0.0417(8) Uani 1 1 d . . .
N6 N 0.6413(3) 0.8269(3) 1.1301(2) 0.0372(10) Uani 1 1 d . . .
H6A H 0.5947 0.7703 1.1122 0.045 Uiso 1 1 calc R . .
C6 C 0.5860(4) 0.5323(3) 0.5972(3) 0.0374(12) Uani 1 1 d . . .
H6B H 0.6115 0.5013 0.6399 0.045 Uiso 1 1 calc R . .
H6C H 0.5365 0.4843 0.5547 0.045 Uiso 1 1 calc R . .
N7 N 0.8423(3) 0.8982(2) 0.5883(2) 0.0267(8) Uani 1 1 d . . .
C7 C 0.7411(4) 0.5499(3) 0.5264(3) 0.0381(12) Uani 1 1 d . . .
H7A H 0.8074 0.5985 0.5112 0.046 Uiso 1 1 calc R . .
H7B H 0.6928 0.5146 0.4771 0.046 Uiso 1 1 calc R . .
O7 O 0.8740(3) 0.8241(2) 0.43827(19) 0.0416(8) Uani 1 1 d . . .
N8 N 0.7783(3) 1.0455(2) 0.6642(2) 0.0271(8) Uani 1 1 d . . .
C8 C 0.7808(4) 0.4854(3) 0.5720(3) 0.0406(12) Uani 1 1 d . . .
H8A H 0.8224 0.4586 0.5389 0.049 Uiso 1 1 calc R . .
H8B H 0.7147 0.4338 0.5839 0.049 Uiso 1 1 calc R . .
O8 O 0.5986(3) 0.6063(2) 0.3168(2) 0.0442(8) Uani 1 1 d . . .
O9 O 0.5743(2) 0.8906(2) 0.64257(19) 0.0374(8) Uani 1 1 d . . .
C9 C 0.8575(4) 0.4407(3) 0.7149(3) 0.0407(12) Uani 1 1 d . . .
H9A H 0.8522 0.3894 0.6754 0.049 Uiso 1 1 calc R . .
H9B H 0.9267 0.4542 0.7529 0.049 Uiso 1 1 calc R . .
N9 N 0.6906(3) 0.7240(2) 0.4147(2) 0.0322(9) Uani 1 1 d . . .
H9C H 0.6251 0.7138 0.4309 0.039 Uiso 1 1 calc R . .
C10 C 0.7571(4) 0.4081(3) 0.7589(3) 0.0357(12) Uani 1 1 d . . .
H10A H 0.6876 0.3967 0.7218 0.043 Uiso 1 1 calc R . .
H10B H 0.7519 0.3488 0.7794 0.043 Uiso 1 1 calc R . .
O10 O 0.2900(3) 0.9486(2) 0.58255(19) 0.0429(8) Uani 1 1 d . . .
N10 N 0.7879(3) 0.6836(3) 0.3210(2) 0.0385(10) Uani 1 1 d . . .
H10C H 0.8458 0.7307 0.3463 0.046 Uiso 1 1 calc R . .
N11 N 0.4774(3) 0.9800(2) 0.5985(2) 0.0311(9) Uani 1 1 d . . .
H11A H 0.4862 1.0356 0.5852 0.037 Uiso 1 1 calc R . .
C11 C 0.8588(4) 0.4851(3) 0.8870(3) 0.0338(11) Uani 1 1 d . . .
H11B H 0.8717 0.4260 0.8842 0.041 Uiso 1 1 calc R . .
H11C H 0.8369 0.4948 0.9394 0.041 Uiso 1 1 calc R . .
C12 C 0.9680(4) 0.5633(3) 0.8802(3) 0.0328(11) Uani 1 1 d . . .
N12 N 0.3516(3) 0.8306(3) 0.6058(2) 0.0391(10) Uani 1 1 d . . .
H12A H 0.4118 0.8157 0.6094 0.047 Uiso 1 1 calc R . .
C13 C 1.1763(4) 0.6071(3) 0.9229(3) 0.0408(12) Uani 1 1 d . . .
C14 C 1.3032(4) 0.7730(3) 0.9419(3) 0.0401(12) Uani 1 1 d . . .
C15 C 1.2791(4) 0.8594(3) 0.9315(3) 0.0553(15) Uani 1 1 d . . .
H15A H 1.2222 0.8617 0.9642 0.083 Uiso 1 1 calc R . .
H15B H 1.2510 0.8591 0.8758 0.083 Uiso 1 1 calc R . .
H15C H 1.3484 0.9138 0.9476 0.083 Uiso 1 1 calc R . .
C16 C 1.3417(4) 0.7702(4) 1.0280(3) 0.0551(15) Uani 1 1 d . . .
H16A H 1.2841 0.7738 1.0595 0.083 Uiso 1 1 calc R . .
H16B H 1.4123 0.8227 1.0460 0.083 Uiso 1 1 calc R . .
H16C H 1.3538 0.7121 1.0344 0.083 Uiso 1 1 calc R . .
C17 C 1.3910(5) 0.7676(4) 0.8932(3) 0.0608(16) Uani 1 1 d . . .
H17A H 1.3660 0.7705 0.8376 0.091 Uiso 1 1 calc R . .
H17B H 1.4024 0.7092 0.8987 0.091 Uiso 1 1 calc R . .
H17C H 1.4618 0.8197 0.9115 0.091 Uiso 1 1 calc R . .
C18 C 0.7179(4) 0.6953(3) 0.9219(3) 0.0324(11) Uani 1 1 d . . .
H18A H 0.7325 0.7445 0.8861 0.039 Uiso 1 1 calc R . .
H18B H 0.7917 0.6932 0.9429 0.039 Uiso 1 1 calc R . .
C19 C 0.6688(4) 0.7257(3) 0.9920(3) 0.0330(11) Uani 1 1 d . . .
C20 C 0.7201(4) 0.8695(3) 1.0869(3) 0.0375(12) Uani 1 1 d . . .
C21 C 0.6268(4) 0.8687(3) 1.2070(3) 0.0396(12) Uani 1 1 d . . .
C22 C 0.7343(4) 0.8931(3) 1.2658(3) 0.0489(14) Uani 1 1 d . . .
H22A H 0.7512 0.8372 1.2726 0.073 Uiso 1 1 calc R . .
H22B H 0.7239 0.9187 1.3167 0.073 Uiso 1 1 calc R . .
H22C H 0.7969 0.9392 1.2456 0.073 Uiso 1 1 calc R . .
C23 C 0.5297(4) 0.7952(3) 1.2357(3) 0.0456(13) Uani 1 1 d . . .
H23A H 0.5482 0.7400 1.2426 0.068 Uiso 1 1 calc R . .
H23B H 0.4619 0.7788 1.1967 0.068 Uiso 1 1 calc R . .
H23C H 0.5162 0.8192 1.2863 0.068 Uiso 1 1 calc R . .
C24 C 0.6009(4) 0.9551(3) 1.1964(3) 0.0436(13) Uani 1 1 d . . .
H24A H 0.6648 1.0020 1.1783 0.065 Uiso 1 1 calc R . .
H24B H 0.5875 0.9793 1.2470 0.065 Uiso 1 1 calc R . .
H24C H 0.5336 0.9400 1.1572 0.065 Uiso 1 1 calc R . .
C25 C 0.8689(4) 0.9904(3) 0.5607(3) 0.0329(11) Uani 1 1 d . . .
H25A H 0.8094 0.9872 0.5173 0.040 Uiso 1 1 calc R . .
H25B H 0.9408 1.0074 0.5388 0.040 Uiso 1 1 calc R . .
C26 C 0.8787(4) 1.0648(3) 0.6240(3) 0.0352(11) Uani 1 1 d . . .
H26A H 0.9446 1.0735 0.6639 0.042 Uiso 1 1 calc R . .
H26B H 0.8930 1.1237 0.6003 0.042 Uiso 1 1 calc R . .
C27 C 0.7969(4) 1.1123(3) 0.7336(3) 0.0356(11) Uani 1 1 d . . .
H27A H 0.7993 1.1722 0.7156 0.043 Uiso 1 1 calc R . .
H27B H 0.8709 1.1228 0.7647 0.043 Uiso 1 1 calc R . .
C28 C 0.7067(4) 1.0806(3) 0.7864(3) 0.0358(11) Uani 1 1 d . . .
H28A H 0.6327 1.0675 0.7542 0.043 Uiso 1 1 calc R . .
H28B H 0.7190 1.1322 0.8275 0.043 Uiso 1 1 calc R . .
C29 C 0.8233(4) 1.0280(3) 0.9109(3) 0.0367(11) Uani 1 1 d . . .
H29A H 0.8470 1.0964 0.9160 0.044 Uiso 1 1 calc R . .
H29B H 0.8011 1.0072 0.9620 0.044 Uiso 1 1 calc R . .
C30 C 0.9232(4) 1.0030(3) 0.8959(3) 0.0384(12) Uani 1 1 d . . .
H30A H 0.9387 1.0130 0.8412 0.046 Uiso 1 1 calc R . .
H30B H 0.9908 1.0425 0.9329 0.046 Uiso 1 1 calc R . .
C31 C 0.9878(4) 0.8772(3) 0.8968(3) 0.0376(12) Uani 1 1 d . . .
H31A H 0.9707 0.8153 0.9155 0.045 Uiso 1 1 calc R . .
H31B H 1.0570 0.9205 0.9302 0.045 Uiso 1 1 calc R . .
C32 C 1.0102(4) 0.8715(3) 0.8126(3) 0.0373(12) Uani 1 1 d . . .
H32A H 1.0664 0.8423 0.8079 0.045 Uiso 1 1 calc R . .
H32B H 1.0400 0.9344 0.7957 0.045 Uiso 1 1 calc R . .
C33 C 0.9213(4) 0.7933(3) 0.6554(3) 0.0352(11) Uani 1 1 d . . .
H33A H 0.9901 0.7782 0.6617 0.042 Uiso 1 1 calc R . .
H33B H 0.8613 0.7407 0.6220 0.042 Uiso 1 1 calc R . .
C34 C 0.9444(4) 0.8786(3) 0.6123(3) 0.0304(10) Uani 1 1 d . . .
H34A H 0.9997 0.9327 0.6471 0.036 Uiso 1 1 calc R . .
H34B H 0.9783 0.8702 0.5648 0.036 Uiso 1 1 calc R . .
C35 C 0.7529(4) 0.8252(3) 0.5366(3) 0.0325(11) Uani 1 1 d . . .
H35A H 0.6896 0.8466 0.5247 0.039 Uiso 1 1 calc R . .
H35B H 0.7258 0.7708 0.5664 0.039 Uiso 1 1 calc R . .
C36 C 0.7803(4) 0.7927(3) 0.4584(3) 0.0332(11) Uani 1 1 d . . .
C37 C 0.6890(4) 0.6667(3) 0.3465(3) 0.0366(12) Uani 1 1 d . . .
C38 C 0.8089(4) 0.6304(3) 0.2540(3) 0.0395(12) Uani 1 1 d . . .
C39 C 0.7408(4) 0.6347(4) 0.1773(3) 0.0520(14) Uani 1 1 d . . .
H39A H 0.7595 0.6995 0.1674 0.078 Uiso 1 1 calc R . .
H39B H 0.6604 0.6065 0.1812 0.078 Uiso 1 1 calc R . .
H39C H 0.7585 0.6008 0.1338 0.078 Uiso 1 1 calc R . .
C40 C 0.7820(5) 0.5303(4) 0.2703(3) 0.0574(15) Uani 1 1 d . . .
H40A H 0.8272 0.5286 0.3198 0.086 Uiso 1 1 calc R . .
H40B H 0.7995 0.4963 0.2268 0.086 Uiso 1 1 calc R . .
H40C H 0.7019 0.5015 0.2749 0.086 Uiso 1 1 calc R . .
C41 C 0.9339(4) 0.6783(4) 0.2504(3) 0.0507(14) Uani 1 1 d . . .
H41A H 0.9497 0.7430 0.2407 0.076 Uiso 1 1 calc R . .
H41B H 0.9553 0.6464 0.2075 0.076 Uiso 1 1 calc R . .
H41C H 0.9773 0.6766 0.3007 0.076 Uiso 1 1 calc R . .
C42 C 0.6800(4) 1.0425(3) 0.6091(3) 0.0336(11) Uani 1 1 d . . .
H42A H 0.6952 1.0357 0.5542 0.040 Uiso 1 1 calc R . .
H42B H 0.6686 1.1018 0.6178 0.040 Uiso 1 1 calc R . .
C43 C 0.5739(4) 0.9639(3) 0.6193(2) 0.0282(10) Uani 1 1 d . . .
C44 C 0.3664(4) 0.9189(3) 0.5958(3) 0.0363(12) Uani 1 1 d . . .
C45 C 0.2441(4) 0.7567(3) 0.6112(3) 0.0406(12) Uani 1 1 d . . .
C46 C 0.1578(4) 0.7432(4) 0.5381(3) 0.0544(15) Uani 1 1 d . . .
H46A H 0.1404 0.7994 0.5346 0.082 Uiso 1 1 calc R . .
H46B H 0.0889 0.6906 0.5420 0.082 Uiso 1 1 calc R . .
H46C H 0.1887 0.7310 0.4907 0.082 Uiso 1 1 calc R . .
C47 C 0.2019(5) 0.7801(4) 0.6854(3) 0.0605(16) Uani 1 1 d . . .
H47A H 0.2587 0.7880 0.7313 0.091 Uiso 1 1 calc R . .
H47B H 0.1319 0.7297 0.6913 0.091 Uiso 1 1 calc R . .
H47C H 0.1879 0.8377 0.6818 0.091 Uiso 1 1 calc R . .
C48 C 0.2716(5) 0.6701(3) 0.6173(4) 0.0567(15) Uani 1 1 d . . .
H48A H 0.3262 0.6789 0.6647 0.085 Uiso 1 1 calc R . .
H48B H 0.3037 0.6582 0.5704 0.085 Uiso 1 1 calc R . .
H48C H 0.2027 0.6172 0.6206 0.085 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 0.0341(2) 0.0314(2) 0.0261(2) 0.00155(15) -0.00014(16) 0.01534(17)
S1 0.0383(7) 0.0344(7) 0.0324(7) 0.0019(5) -0.0002(6) 0.0128(6)
N1 0.036(2) 0.026(2) 0.027(2) -0.0033(16) -0.0078(18) 0.0121(18)
C1 0.038(3) 0.027(3) 0.029(3) 0.004(2) 0.001(2) 0.007(2)
O1 0.041(2) 0.0338(18) 0.0311(19) 0.0013(15) 0.0026(16) 0.0132(16)
O1A 0.065(2) 0.029(2) 0.044(2) -0.0064(16) -0.0108(19) 0.0143(19)
N1A 0.049(3) 0.040(3) 0.030(2) 0.002(2) 0.004(2) 0.019(2)
Ag2 0.0401(2) 0.0300(2) 0.0278(2) 0.00071(15) -0.00132(16) 0.01643(17)
S2 0.0406(7) 0.0342(7) 0.0339(7) -0.0050(5) -0.0014(6) 0.0140(6)
O2 0.046(2) 0.0314(19) 0.049(2) 0.0055(16) -0.0088(17) 0.0163(17)
C2 0.044(3) 0.036(3) 0.025(3) 0.007(2) 0.003(2) 0.016(2)
N2 0.034(2) 0.026(2) 0.030(2) -0.0015(16) -0.0024(18) 0.0112(18)
N2A 0.031(2) 0.038(3) 0.033(2) -0.0010(19) 0.0037(19) 0.013(2)
O2A 0.080(3) 0.034(2) 0.069(3) 0.0047(19) -0.019(2) 0.025(2)
S3 0.0374(7) 0.0364(7) 0.0307(7) -0.0029(5) 0.0033(6) 0.0101(6)
N3 0.040(2) 0.034(2) 0.033(2) 0.0002(18) -0.0054(19) 0.017(2)
O3A 0.044(2) 0.051(2) 0.072(3) -0.008(2) -0.006(2) 0.0160(19)
O3 0.049(2) 0.050(2) 0.057(2) 0.0021(18) -0.0051(19) 0.0269(19)
C3 0.037(3) 0.042(3) 0.030(3) -0.002(2) 0.001(2) 0.017(2)
S4 0.0379(7) 0.0309(6) 0.0255(7) 0.0000(5) -0.0026(5) 0.0140(6)
O4 0.040(2) 0.0346(19) 0.034(2) -0.0019(15) 0.0064(16) 0.0076(17)
C4 0.047(3) 0.043(3) 0.032(3) 0.001(2) -0.002(2) 0.023(3)
O4A 0.039(2) 0.040(2) 0.065(3) -0.0003(18) -0.0087(19) 0.0144(17)
N4 0.043(3) 0.037(3) 0.046(3) 0.002(2) -0.006(2) 0.019(2)
O5 0.050(2) 0.033(2) 0.047(2) -0.0063(16) 0.0141(18) 0.0038(18)
N5 0.044(2) 0.034(2) 0.027(2) -0.0014(18) 0.0080(19) 0.008(2)
O5A 0.046(2) 0.0308(19) 0.063(3) 0.0126(17) 0.0066(18) 0.0183(17)
C5 0.038(3) 0.041(3) 0.029(3) 0.000(2) -0.002(2) 0.012(2)
O6 0.0388(19) 0.0327(18) 0.0274(18) 0.0020(14) 0.0046(15) 0.0107(15)
O6A 0.043(2) 0.0284(19) 0.050(2) 0.0047(16) -0.0041(17) 0.0108(17)
N6 0.036(2) 0.036(2) 0.030(2) -0.0052(18) 0.0013(19) 0.0050(19)
C6 0.040(3) 0.034(3) 0.029(3) 0.001(2) -0.008(2) 0.007(2)
N7 0.027(2) 0.028(2) 0.023(2) 0.0011(16) -0.0016(17) 0.0108(17)
C7 0.043(3) 0.040(3) 0.030(3) -0.004(2) 0.001(2) 0.017(2)
O7 0.0290(19) 0.051(2) 0.037(2) -0.0049(16) 0.0084(16) 0.0069(17)
N8 0.031(2) 0.030(2) 0.022(2) -0.0015(16) 0.0016(17) 0.0142(17)
C8 0.044(3) 0.037(3) 0.036(3) -0.007(2) -0.001(2) 0.013(2)
O8 0.044(2) 0.039(2) 0.039(2) -0.0078(16) 0.0026(17) 0.0062(18)
O9 0.0330(18) 0.0302(18) 0.045(2) 0.0046(15) -0.0080(15) 0.0114(15)
C9 0.047(3) 0.038(3) 0.038(3) -0.009(2) -0.008(3) 0.023(3)
N9 0.029(2) 0.037(2) 0.029(2) -0.0022(18) 0.0043(18) 0.0111(19)
C10 0.049(3) 0.022(2) 0.033(3) -0.006(2) -0.006(2) 0.015(2)
O10 0.042(2) 0.046(2) 0.045(2) 0.0037(16) -0.0017(17) 0.0234(18)
N10 0.036(2) 0.040(2) 0.039(3) -0.0022(19) 0.008(2) 0.013(2)
N11 0.033(2) 0.029(2) 0.032(2) 0.0026(17) -0.0019(18) 0.0140(19)
C11 0.040(3) 0.033(3) 0.029(3) -0.002(2) -0.008(2) 0.018(2)
C12 0.037(3) 0.031(3) 0.027(3) -0.004(2) -0.007(2) 0.014(2)
N12 0.033(2) 0.036(2) 0.048(3) 0.0021(19) 0.001(2) 0.014(2)
C13 0.047(3) 0.041(3) 0.034(3) -0.003(2) -0.005(2) 0.021(3)
C14 0.044(3) 0.040(3) 0.036(3) 0.005(2) 0.004(3) 0.015(3)
C15 0.054(4) 0.036(3) 0.074(4) 0.003(3) 0.006(3) 0.017(3)
C16 0.051(4) 0.051(3) 0.048(4) -0.002(3) -0.010(3) 0.007(3)
C17 0.061(4) 0.074(4) 0.056(4) 0.006(3) 0.013(3) 0.034(3)
C18 0.027(3) 0.030(3) 0.033(3) -0.005(2) -0.001(2) 0.006(2)
C19 0.039(3) 0.032(3) 0.027(3) -0.002(2) -0.005(2) 0.015(2)
C20 0.039(3) 0.037(3) 0.030(3) -0.005(2) 0.000(2) 0.008(3)
C21 0.050(3) 0.038(3) 0.026(3) -0.001(2) 0.006(2) 0.012(3)
C22 0.061(4) 0.045(3) 0.036(3) -0.001(2) -0.003(3) 0.018(3)
C23 0.054(3) 0.043(3) 0.034(3) 0.007(2) 0.011(3) 0.010(3)
C24 0.056(3) 0.042(3) 0.038(3) 0.002(2) 0.014(3) 0.022(3)
C25 0.036(3) 0.036(3) 0.029(3) 0.008(2) 0.008(2) 0.014(2)
C26 0.039(3) 0.025(2) 0.041(3) 0.007(2) 0.003(2) 0.011(2)
C27 0.043(3) 0.025(3) 0.038(3) -0.003(2) 0.000(2) 0.015(2)
C28 0.045(3) 0.039(3) 0.029(3) -0.006(2) 0.002(2) 0.024(2)
C29 0.046(3) 0.032(3) 0.027(3) -0.001(2) 0.000(2) 0.010(2)
C30 0.041(3) 0.036(3) 0.030(3) -0.005(2) -0.006(2) 0.009(2)
C31 0.038(3) 0.040(3) 0.029(3) -0.002(2) -0.004(2) 0.011(2)
C32 0.037(3) 0.042(3) 0.025(3) -0.007(2) -0.007(2) 0.011(2)
C33 0.043(3) 0.040(3) 0.025(3) -0.003(2) -0.004(2) 0.022(2)
C34 0.031(3) 0.036(3) 0.021(3) -0.003(2) -0.001(2) 0.012(2)
C35 0.029(3) 0.039(3) 0.025(3) 0.002(2) -0.002(2) 0.010(2)
C36 0.045(3) 0.036(3) 0.020(3) 0.002(2) 0.000(2) 0.017(3)
C37 0.046(3) 0.035(3) 0.027(3) 0.002(2) 0.000(3) 0.014(3)
C38 0.047(3) 0.039(3) 0.034(3) -0.005(2) 0.010(3) 0.018(3)
C39 0.057(4) 0.060(4) 0.039(3) -0.004(3) 0.001(3) 0.024(3)
C40 0.070(4) 0.050(4) 0.054(4) 0.003(3) 0.019(3) 0.022(3)
C41 0.044(3) 0.053(3) 0.055(4) 0.001(3) 0.012(3) 0.018(3)
C42 0.035(3) 0.039(3) 0.032(3) 0.011(2) 0.006(2) 0.018(2)
C43 0.032(3) 0.032(3) 0.021(3) -0.004(2) -0.003(2) 0.016(2)
C44 0.042(3) 0.042(3) 0.028(3) -0.001(2) 0.000(2) 0.021(3)
C45 0.039(3) 0.041(3) 0.038(3) 0.001(2) 0.000(2) 0.012(3)
C46 0.046(3) 0.044(3) 0.064(4) -0.002(3) -0.008(3) 0.012(3)
C47 0.050(4) 0.078(4) 0.053(4) 0.010(3) 0.010(3) 0.021(3)
C48 0.058(4) 0.038(3) 0.072(4) 0.004(3) -0.003(3) 0.019(3)

_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 N7 2.610(3) . y
Ag1 N8 2.495(3) . y
Ag1 O9 2.505(3) . y
Ag1 S1 3.1453(17) . y
Ag1 S3 2.6014(14) . y
Ag1 S4 2.5495(13) . y
Ag2 N1 2.454(3) . y
Ag2 N2 2.555(4) . y
Ag2 S1 2.7069(14) . y
Ag2 S2 2.6700(14) . y
Ag2 S4 2.7343(15) . y
Ag2 O2 2.708(3) . y
N1 C1 1.477(5) . ?
N1 C10 1.482(5) . ?
N1 C11 1.467(5) . ?
N2 C2 1.480(5) . ?
N2 C3 1.465(5) . ?
N2 C18 1.447(6) . ?
N3 C12 1.374(5) . ?
N3 C13 1.424(6) . ?
N4 C13 1.333(6) . ?
N4 C14 1.478(6) . ?
N5 C19 1.367(6) . ?
N5 C20 1.404(6) . ?
N6 C20 1.328(6) . ?
N6 C21 1.493(6) . ?
N7 C25 1.472(5) . ?
N7 C34 1.472(5) . ?
N7 C35 1.451(5) . ?
N8 C26 1.477(5) . ?
N8 C27 1.467(5) . ?
N8 C42 1.475(5) . ?
N9 C36 1.362(6) . ?
N9 C37 1.417(6) . ?
N10 C37 1.333(6) . ?
N10 C38 1.480(6) . ?
N11 C43 1.365(5) . ?
N11 C44 1.397(6) . ?
N12 C44 1.343(6) . ?
N12 C45 1.464(6) . ?
O1 C6 1.415(5) . ?
O1 C7 1.428(5) . ?
O2 C12 1.227(5) . ?
O3 C13 1.223(5) . ?
O4 C19 1.210(5) . ?
O5 C20 1.232(6) . ?
O6 C30 1.434(5) . ?
O6 C31 1.433(5) . ?
O7 C36 1.226(5) . ?
O8 C37 1.232(6) . ?
O9 C43 1.233(5) . ?
O10 C44 1.232(5) . ?
S1 C4 1.808(5) . ?
S1 C5 1.814(5) . ?
S2 C8 1.821(5) . ?
S2 C9 1.825(5) . ?
S3 C28 1.814(4) . ?
S3 C29 1.823(5) . ?
S4 C32 1.803(5) . ?
S4 C33 1.804(4) . ?
C1 C2 1.521(6) . ?
C3 C4 1.528(6) . ?
C5 C6 1.506(6) . ?
C7 C8 1.502(6) . ?
C9 C10 1.513(6) . ?
C11 C12 1.515(6) . ?
C14 C15 1.499(6) . ?
C14 C16 1.512(7) . ?
C14 C17 1.499(7) . ?
C18 C19 1.542(6) . ?
C21 C22 1.528(7) . ?
C21 C23 1.515(6) . ?
C21 C24 1.512(6) . ?
C25 C26 1.496(6) . ?
C27 C28 1.513(6) . ?
C29 C30 1.512(6) . ?
C31 C32 1.507(6) . ?
C33 C34 1.511(6) . ?
C35 C36 1.525(6) . ?
C38 C39 1.513(7) . ?
C38 C40 1.520(6) . ?
C38 C41 1.521(7) . ?
C42 C43 1.507(6) . ?
C45 C46 1.527(7) . ?
C45 C47 1.511(7) . ?
C45 C48 1.518(6) . ?
N1A O1A 1.248(5) . ?
N1A O2A 1.235(5) . ?
N1A O3A 1.251(5) . ?
N2A O4A 1.236(5) . ?
N2A O5A 1.257(4) . ?
N2A O6A 1.254(5) . ?

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
N7 Ag1 N8 71.19(11) . . y
N8 Ag1 O9 68.74(11) . . y
N8 Ag1 S3 80.87(8) . . y
N8 Ag1 S4 136.28(8) . . y
O9 Ag1 N7 90.57(10) . . y
O9 Ag1 S3 85.43(8) . . y
O9 Ag1 S4 144.79(8) . . y
S3 Ag1 N7 151.25(8) . . y
S4 Ag1 N7 79.83(8) . . y
S4 Ag1 S3 118.36(4) . . y
S1 Ag1 N7 97.06(9) . . y
S1 Ag1 N8 146.71(9) . . y
S1 Ag1 O9 80.69(8) . . y
S1 Ag1 S4 67.21(4) . . y
S1 Ag1 S3 110.29(5) . . y
N1 Ag2 N2 73.94(12) . . y
N1 Ag2 S2 79.63(9) . . y
N1 Ag2 S1 132.70(9) . . y
N1 Ag2 S4 152.42(9) . . y
N2 Ag2 S2 151.98(8) . . y
N2 Ag2 S1 76.56(8) . . y
N2 Ag2 S4 106.30(9) . . y
S1 Ag2 S4 71.80(4) . . y
S2 Ag2 S1 116.85(4) . . y
S2 Ag2 S4 101.40(5) . . y
N1 Ag2 O2 67.62(11) . . y
N2 Ag2 O2 98.70(11) . . y
O2 Ag2 S1 153.90(7) . . y
O2 Ag2 S2 79.29(8) . . y
O2 Ag2 S4 85.37(8) . . y
S1 Ag2 S2 116.85(4) . . y
S1 Ag2 S4 71.80(4) . . Y
C4 S1 C5 104.2(2) . . ?
C4 S1 Ag2 99.39(15) . . ?
C5 S1 Ag2 106.34(15) . . ?
C11 N1 C1 110.8(3) . . ?
C11 N1 C10 110.3(3) . . ?
C1 N1 C10 110.3(3) . . ?
C11 N1 Ag2 116.3(3) . . ?
C1 N1 Ag2 103.6(2) . . ?
C10 N1 Ag2 105.2(3) . . ?
N1 C1 C2 113.7(4) . . ?
C6 O1 C7 114.6(3) . . ?
O2A N1A O1A 119.7(4) . . ?
O2A N1A O3A 120.7(4) . . ?
O1A N1A O3A 119.6(4) . . ?
C8 S2 C9 98.3(2) . . ?
C8 S2 Ag2 114.91(16) . . ?
C9 S2 Ag2 95.73(15) . . ?
N2 C2 C1 111.1(4) . . ?
C18 N2 C3 115.2(3) . . ?
C18 N2 C2 113.6(4) . . ?
C3 N2 C2 111.1(3) . . ?
C18 N2 Ag2 99.7(2) . . ?
C3 N2 Ag2 108.7(3) . . ?
C2 N2 Ag2 107.6(2) . . ?
O4A N2A O6A 120.3(4) . . ?
O4A N2A O5A 120.3(4) . . ?
O6A N2A O5A 119.4(4) . . ?
C28 S3 C29 100.7(2) . . ?
C28 S3 Ag1 95.80(14) . . ?
C29 S3 Ag1 108.15(15) . . ?
C12 N3 C13 128.8(4) . . ?
N2 C3 C4 113.9(4) . . ?
C32 S4 C33 102.7(2) . . ?
C32 S4 Ag1 112.60(16) . . ?
C33 S4 Ag1 98.06(14) . . ?
C32 S4 Ag2 120.58(16) . . ?
C33 S4 Ag2 98.77(16) . . ?
Ag1 S4 Ag2 118.20(5) . . ?
C3 C4 S1 115.6(3) . . ?
C13 N4 C14 124.3(4) . . ?
C19 N5 C20 130.4(4) . . ?
C6 C5 S1 109.7(3) . . ?
C30 O6 C31 112.6(3) . . ?
C20 N6 C21 124.2(4) . . ?
O1 C6 C5 106.9(4) . . ?
C35 N7 C34 115.7(3) . . ?
C35 N7 C25 113.6(3) . . ?
C34 N7 C25 112.0(3) . . ?
C35 N7 Ag1 101.8(2) . . ?
C34 N7 Ag1 103.3(2) . . ?
C25 N7 Ag1 109.2(2) . . ?
O1 C7 C8 115.2(4) . . ?
C27 N8 C42 109.9(3) . . ?
C27 N8 C26 112.7(4) . . ?
C42 N8 C26 111.1(3) . . ?
C27 N8 Ag1 104.9(2) . . ?
C42 N8 Ag1 113.8(3) . . ?
C26 N8 Ag1 104.1(2) . . ?
C7 C8 S2 112.5(3) . . ?
C43 O9 Ag1 116.4(3) . . ?
C10 C9 S2 115.1(3) . . ?
C36 N9 C37 128.5(4) . . ?
N1 C10 C9 112.0(4) . . ?
C37 N10 C38 125.8(4) . . ?
C43 N11 C44 128.0(4) . . ?
N1 C11 C12 114.0(4) . . ?
O2 C12 N3 123.6(4) . . ?
O2 C12 C11 122.8(4) . . ?
N3 C12 C11 113.5(4) . . ?
C44 N12 C45 125.6(4) . . ?
O3 C13 N4 126.2(5) . . ?
O3 C13 N3 117.6(4) . . ?
N4 C13 N3 116.1(4) . . ?
N4 C14 C17 110.3(4) . . ?
N4 C14 C15 105.1(4) . . ?
C17 C14 C15 110.9(4) . . ?
N4 C14 C16 110.2(4) . . ?
C17 C14 C16 109.9(4) . . ?
C15 C14 C16 110.2(4) . . ?
N2 C18 C19 119.0(4) . . ?
O4 C19 N5 124.2(4) . . ?
O4 C19 C18 124.5(4) . . ?
N5 C19 C18 111.3(4) . . ?
O5 C20 N6 125.9(4) . . ?
O5 C20 N5 117.7(4) . . ?
N6 C20 N5 116.4(4) . . ?
N6 C21 C24 111.0(4) . . ?
N6 C21 C23 106.0(4) . . ?
C24 C21 C23 110.6(4) . . ?
N6 C21 C22 109.5(4) . . ?
C24 C21 C22 109.4(4) . . ?
C23 C21 C22 110.3(4) . . ?
N7 C25 C26 113.6(4) . . ?
N8 C26 C25 114.2(4) . . ?
N8 C27 C28 113.0(4) . . ?
C27 C28 S3 115.7(3) . . ?
C30 C29 S3 115.1(3) . . ?
O6 C30 C29 108.1(4) . . ?
O6 C31 C32 113.9(4) . . ?
C31 C32 S4 107.9(3) . . ?
C34 C33 S4 115.3(3) . . ?
N7 C34 C33 112.8(3) . . ?
N7 C35 C36 117.7(4) . . ?
O7 C36 N9 124.0(4) . . ?
O7 C36 C35 123.2(4) . . ?
N9 C36 C35 112.8(4) . . ?
O8 C37 N10 126.1(5) . . ?
O8 C37 N9 118.2(4) . . ?
N10 C37 N9 115.7(4) . . ?
N10 C38 C39 111.3(4) . . ?
N10 C38 C41 104.2(4) . . ?
C39 C38 C41 110.0(4) . . ?
N10 C38 C40 110.0(4) . . ?
C39 C38 C40 110.4(4) . . ?
C41 C38 C40 110.7(4) . . ?
N8 C42 C43 112.5(3) . . ?
O9 C43 N11 123.0(4) . . ?
O9 C43 C42 122.8(4) . . ?
N11 C43 C42 114.2(4) . . ?
O10 C44 N12 125.1(5) . . ?
O10 C44 N11 118.6(4) . . ?
N12 C44 N11 116.3(4) . . ?
N12 C45 C47 108.5(4) . . ?
N12 C45 C48 104.9(4) . . ?
C47 C45 C48 110.3(4) . . ?
N12 C45 C46 111.7(4) . . ?
C47 C45 C46 111.2(4) . . ?
C48 C45 C46 109.9(4) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N3 H3A O1A 0.88 2.02 2.867(5) 162 2_666
N4 H4C O2 0.88 2.04 2.730(5) 135 .
N5 H5A O6 0.88 2.21 3.086(5) 173 .
N6 H6A O4 0.88 2.08 2.758(5) 134 .
N9 H9C O5A 0.88 2.06 2.940(5) 174 .
N10 H10C O7 0.88 1.98 2.691(5) 137 .
N11 H11A O6A 0.88 1.99 2.866(5) 171 2_676
N12 H12A O9 0.88 1.99 2.660(5) 132 .

_diffrn_measured_fraction_theta_max 0.939
_diffrn_reflns_theta_full        27.84
_diffrn_measured_fraction_theta_full 0.939
_refine_diff_density_max         1.14
_refine_diff_density_min         -0.81
_refine_diff_density_rms         0.10

data_L2.AgNO3
_database_code_CSD               195914

# Code AGAMTB 

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H46 Ag N6 O4 S3 +, N O3 -, 0.5(C4 H10 O)'
_chemical_formula_sum            'C26 H51 Ag N7 O7.50 S3'
_chemical_formula_weight         785.79

_refine_special_details          
; 
The crystal died suddenly in the X-ray beam and although data were 
collected very rapidly  the triclinic symmetry means that the data 
are not complete (85% to 50 degrees 2-theta).
The included Et2O solvent molecule is disordered. It has been modelled 
over two sites with occupancies 0.3 and 0.2 and the geometry restrained. 
There is still residual electron density there but I can't improve the 
model further by including further sites. In addition there is residual 
electron density at chemically nonsensical positions around the complex.
XABS did not improve this. (CW)
;

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           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   9.662(4)
_cell_length_b                   11.141(4)
_cell_length_c                   18.973(7)
_cell_angle_alpha                77.451(5)
_cell_angle_beta                 79.171(5)
_cell_angle_gamma                82.495(4)
_cell_volume                     1949.4(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    783
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      24.07

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             822
_exptl_absorpt_coefficient_mu    0.725
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.297
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       omega
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        'SUDDEN DECAY'
_diffrn_reflns_number            8277
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_av_sigmaI/netI    0.087
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.88
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5968
_reflns_number_gt                4772
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART v5.054'
_computing_cell_refinement       'Bruker SAINT V6.02'
_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_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^)+(0.0769P)^2^+46.1403P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     'direct methods'
_atom_sites_solution_secondary   'difference Fourier'
_atom_sites_solution_hydrogens   
'geometrically placed, except those in disordered solvent not included'
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5968
_refine_ls_number_parameters     419
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.1216
_refine_ls_R_factor_gt           0.1030
_refine_ls_wR_factor_ref         0.2708
_refine_ls_wR_factor_gt          0.2616
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_restrained_S_all      1.133
_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
Ag Ag 0.61479(10) 0.73238(9) 0.68968(5) 0.0231(3) Uani 1 1 d . . .
N1 N 0.4791(11) 0.6487(10) 0.6134(6) 0.029(2) Uani 1 1 d . . .
N2 N 0.7375(10) 0.7876(9) 0.5622(6) 0.026(2) Uani 1 1 d . . .
N3 N 1.0262(11) 0.5427(9) 0.5885(6) 0.027(2) Uani 1 1 d . . .
H3C H 1.0817 0.5834 0.5513 0.032 Uiso 1 1 calc R . .
N4 N 1.0105(10) 0.3755(9) 0.6892(6) 0.027(2) Uani 1 1 d . . .
H4B H 0.9329 0.4166 0.7075 0.033 Uiso 1 1 calc R . .
N5 N 0.5282(12) 0.3469(10) 0.7345(6) 0.032(3) Uani 1 1 d . . .
H5C H 0.5663 0.3116 0.6972 0.038 Uiso 1 1 calc R . .
N6 N 0.4648(14) 0.3257(11) 0.8606(6) 0.041(3) Uani 1 1 d . . .
H6A H 0.4404 0.4056 0.8497 0.050 Uiso 1 1 calc R . .
O1 O 0.8118(9) 0.5608(7) 0.6578(5) 0.0266(19) Uani 1 1 d . . .
O2 O 1.2110(9) 0.3961(8) 0.6029(5) 0.034(2) Uani 1 1 d . . .
O3 O 0.4432(11) 0.5350(9) 0.7618(5) 0.043(2) Uani 1 1 d . . .
O4 O 0.5562(12) 0.1573(9) 0.8096(6) 0.048(3) Uani 1 1 d . . .
S1 S 0.8759(3) 0.8339(3) 0.69601(19) 0.0309(8) Uani 1 1 d . . .
S2 S 0.5575(4) 0.7865(3) 0.81750(18) 0.0343(8) Uani 1 1 d . . .
S3 S 0.3900(3) 0.9169(3) 0.66481(19) 0.0325(8) Uani 1 1 d . . .
C1 C 0.5364(13) 0.6893(12) 0.5370(7) 0.027(3) Uani 1 1 d . . .
H1A H 0.4569 0.7083 0.5090 0.032 Uiso 1 1 calc R . .
H1B H 0.5981 0.6197 0.5198 0.032 Uiso 1 1 calc R . .
C2 C 0.6212(13) 0.8017(12) 0.5187(7) 0.028(3) Uani 1 1 d . . .
H2A H 0.6621 0.8162 0.4660 0.034 Uiso 1 1 calc R . .
H2B H 0.5564 0.8753 0.5277 0.034 Uiso 1 1 calc R . .
C3 C 0.7888(12) 0.9077(11) 0.5563(7) 0.024(3) Uani 1 1 d . . .
H3A H 0.7083 0.9652 0.5728 0.029 Uiso 1 1 calc R . .
H3B H 0.8244 0.9409 0.5042 0.029 Uiso 1 1 calc R . .
C4 C 0.9071(13) 0.9043(13) 0.6010(7) 0.030(3) Uani 1 1 d . . .
H4A H 0.9279 0.9904 0.5972 0.036 Uiso 1 1 calc R . .
H4C H 0.9933 0.8605 0.5776 0.036 Uiso 1 1 calc R . .
C5 C 0.7568(14) 0.9495(13) 0.7389(8) 0.036(3) Uani 1 1 d . . .
H5A H 0.8098 1.0180 0.7419 0.043 Uiso 1 1 calc R . .
H5B H 0.6807 0.9839 0.7098 0.043 Uiso 1 1 calc R . .
C6 C 0.6932(14) 0.8848(13) 0.8159(7) 0.031(3) Uani 1 1 d . . .
H6B H 0.6525 0.9483 0.8451 0.037 Uiso 1 1 calc R . .
H6C H 0.7702 0.8343 0.8397 0.037 Uiso 1 1 calc R . .
C7 C 0.4033(16) 0.8984(14) 0.8095(8) 0.043(4) Uani 1 1 d . . .
H7A H 0.3470 0.8993 0.8587 0.051 Uiso 1 1 calc R . .
H7B H 0.4349 0.9818 0.7891 0.051 Uiso 1 1 calc R . .
C8 C 0.3089(14) 0.8670(14) 0.7592(8) 0.037(3) Uani 1 1 d . . .
H8A H 0.2127 0.9099 0.7682 0.044 Uiso 1 1 calc R . .
H8B H 0.3007 0.7770 0.7697 0.044 Uiso 1 1 calc R . .
C9 C 0.2957(14) 0.8340(13) 0.6190(8) 0.038(3) Uani 1 1 d . . .
H9A H 0.1930 0.8527 0.6352 0.045 Uiso 1 1 calc R . .
H9B H 0.3159 0.8682 0.5658 0.045 Uiso 1 1 calc R . .
C10 C 0.3263(13) 0.6929(12) 0.6300(7) 0.029(3) Uani 1 1 d . . .
H10A H 0.2895 0.6562 0.6814 0.035 Uiso 1 1 calc R . .
H10B H 0.2740 0.6624 0.5983 0.035 Uiso 1 1 calc R . .
C11 C 0.8532(12) 0.6963(11) 0.5390(7) 0.025(3) Uani 1 1 d . . .
H11A H 0.9388 0.7394 0.5163 0.031 Uiso 1 1 calc R . .
H11B H 0.8253 0.6593 0.5014 0.031 Uiso 1 1 calc R . .
C12 C 0.8888(13) 0.5943(12) 0.6017(7) 0.028(3) Uani 1 1 d . . .
C13 C 1.0894(14) 0.4326(13) 0.6273(7) 0.033(3) Uani 1 1 d . . .
C14 C 1.0466(15) 0.2491(12) 0.7278(8) 0.036(3) Uani 1 1 d . . .
C15 C 0.9237(17) 0.2222(14) 0.7909(8) 0.047(4) Uani 1 1 d . . .
H15A H 0.8358 0.2277 0.7712 0.071 Uiso 1 1 calc R . .
H15B H 0.9148 0.2828 0.8224 0.071 Uiso 1 1 calc R . .
H15C H 0.9418 0.1390 0.8195 0.071 Uiso 1 1 calc R . .
C16 C 1.1863(18) 0.2407(17) 0.7583(10) 0.061(5) Uani 1 1 d . . .
H16A H 1.2648 0.2570 0.7176 0.091 Uiso 1 1 calc R . .
H16B H 1.2042 0.1577 0.7874 0.091 Uiso 1 1 calc R . .
H16C H 1.1782 0.3019 0.7893 0.091 Uiso 1 1 calc R . .
C17 C 1.0556(16) 0.1595(13) 0.6777(9) 0.046(4) Uani 1 1 d . . .
H17A H 0.9658 0.1671 0.6594 0.068 Uiso 1 1 calc R . .
H17B H 1.0741 0.0751 0.7047 0.068 Uiso 1 1 calc R . .
H17C H 1.1325 0.1779 0.6363 0.068 Uiso 1 1 calc R . .
C18 C 0.4973(14) 0.5162(12) 0.6348(7) 0.031(3) Uani 1 1 d . . .
H18A H 0.5912 0.4859 0.6105 0.037 Uiso 1 1 calc R . .
H18B H 0.4246 0.4807 0.6171 0.037 Uiso 1 1 calc R . .
C19 C 0.4861(13) 0.4698(12) 0.7170(8) 0.031(3) Uani 1 1 d . . .
C20 C 0.5191(15) 0.2674(14) 0.8051(7) 0.035(3) Uani 1 1 d . . .
C21 C 0.443(2) 0.2649(17) 0.9382(8) 0.058(5) Uani 1 1 d . . .
C22 C 0.341(3) 0.162(2) 0.9524(11) 0.094(8) Uani 1 1 d . . .
H22A H 0.2511 0.1983 0.9372 0.141 Uiso 1 1 calc R . .
H22B H 0.3254 0.1253 1.0047 0.141 Uiso 1 1 calc R . .
H22C H 0.3836 0.0987 0.9243 0.141 Uiso 1 1 calc R . .
C23 C 0.588(2) 0.206(2) 0.9604(11) 0.089(7) Uani 1 1 d . . .
H23A H 0.6305 0.1461 0.9300 0.134 Uiso 1 1 calc R . .
H23B H 0.5735 0.1650 1.0120 0.134 Uiso 1 1 calc R . .
H23C H 0.6517 0.2714 0.9533 0.134 Uiso 1 1 calc R . .
C24 C 0.373(3) 0.364(2) 0.9809(10) 0.089(8) Uani 1 1 d . . .
H24A H 0.2818 0.3962 0.9654 0.134 Uiso 1 1 calc R . .
H24B H 0.4342 0.4308 0.9716 0.134 Uiso 1 1 calc R . .
H24C H 0.3574 0.3274 1.0334 0.134 Uiso 1 1 calc R . .
N1A N 0.7684(10) 1.2644(10) 0.5637(6) 0.025(2) Uani 1 1 d . . .
O1A O 0.7941(10) 1.3753(8) 0.5519(6) 0.041(2) Uani 1 1 d . . .
O2A O 0.6786(11) 1.2215(9) 0.6185(5) 0.044(3) Uani 1 1 d . . .
O3A O 0.8295(9) 1.1957(8) 0.5221(5) 0.034(2) Uani 1 1 d . . .
C1B C -0.064(7) 0.219(5) 0.034(3) 0.061(18) Uiso 0.30 1 d PD A 1
C2B C -0.049(7) 0.259(5) 0.090(3) 0.053(14) Uiso 0.30 1 d PD A 1
O3B O -0.066(5) 0.374(4) 0.104(3) 0.087(15) Uiso 0.30 1 d PD A 1
C4B C -0.017(5) 0.411(6) 0.157(2) 0.061(16) Uiso 0.30 1 d PD A 1
C5B C 0.098(7) 0.457(5) 0.156(3) 0.055(15) Uiso 0.30 1 d PD A 1
C1C C -0.049(9) 0.122(6) 0.049(5) 0.06(2) Uiso 0.20 1 d PD B 2
C2C C -0.076(6) 0.231(5) 0.064(4) 0.027(14) Uiso 0.20 1 d PD B 2
O3C O -0.013(6) 0.292(5) 0.101(3) 0.054(17) Uiso 0.20 1 d PD B 2
C4C C 0.055(5) 0.387(4) 0.105(3) 0.013(11) Uiso 0.20 1 d PD B 2
C5C C 0.030(13) 0.463(9) 0.148(6) 0.09(4) Uiso 0.20 1 d PD B 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
Ag 0.0176(5) 0.0213(5) 0.0319(5) -0.0076(4) -0.0046(4) -0.0021(4)
N1 0.021(5) 0.034(6) 0.033(6) -0.008(5) -0.004(5) -0.005(5)
N2 0.020(5) 0.023(6) 0.039(6) -0.009(5) -0.008(5) -0.005(5)
N3 0.020(6) 0.022(6) 0.036(6) -0.002(4) -0.002(4) -0.005(5)
N4 0.012(5) 0.023(6) 0.046(7) -0.011(5) -0.004(5) 0.003(5)
N5 0.034(6) 0.027(6) 0.034(6) -0.005(5) -0.003(5) -0.010(5)
N6 0.064(9) 0.027(6) 0.035(7) -0.006(5) -0.013(6) -0.006(6)
O1 0.033(5) 0.013(4) 0.032(5) -0.006(3) 0.001(4) 0.000(4)
O2 0.018(5) 0.032(5) 0.052(6) -0.013(4) -0.005(4) 0.006(4)
O3 0.057(7) 0.036(6) 0.035(5) -0.009(4) -0.003(5) -0.006(5)
O4 0.070(8) 0.022(6) 0.048(6) -0.003(4) -0.005(5) 0.002(5)
S1 0.0251(17) 0.0269(18) 0.0424(19) -0.0103(14) -0.0086(14) 0.0012(15)
S2 0.038(2) 0.0319(19) 0.0326(18) -0.0034(14) -0.0065(15) -0.0062(16)
S3 0.0247(17) 0.0283(18) 0.044(2) -0.0088(14) -0.0057(14) 0.0041(15)
C1 0.023(7) 0.031(7) 0.029(7) -0.010(5) -0.005(5) -0.005(6)
C2 0.024(7) 0.025(7) 0.039(7) -0.007(5) -0.013(6) -0.002(6)
C3 0.016(6) 0.021(6) 0.035(7) -0.007(5) -0.003(5) -0.004(5)
C4 0.014(6) 0.035(8) 0.049(8) -0.017(6) -0.008(5) -0.008(6)
C5 0.029(7) 0.035(8) 0.047(8) -0.025(6) 0.004(6) -0.005(7)
C6 0.028(7) 0.036(8) 0.032(7) -0.012(6) -0.009(6) 0.000(6)
C7 0.042(9) 0.047(9) 0.043(8) -0.015(7) -0.005(7) -0.010(8)
C8 0.024(7) 0.038(8) 0.047(8) -0.008(6) -0.010(6) 0.007(6)
C9 0.019(7) 0.038(8) 0.052(9) -0.010(7) -0.006(6) 0.014(6)
C10 0.020(6) 0.039(8) 0.029(7) 0.000(6) -0.010(5) -0.003(6)
C11 0.017(6) 0.027(7) 0.032(7) -0.010(5) -0.001(5) 0.002(6)
C12 0.020(7) 0.024(7) 0.047(8) -0.013(6) -0.010(6) -0.010(6)
C13 0.028(8) 0.042(8) 0.032(7) -0.008(6) -0.007(6) -0.014(7)
C14 0.030(8) 0.025(7) 0.049(9) -0.006(6) -0.005(6) 0.002(6)
C15 0.052(10) 0.039(9) 0.045(9) -0.002(7) -0.002(7) -0.004(8)
C16 0.049(11) 0.061(11) 0.073(12) 0.003(9) -0.034(9) 0.002(9)
C17 0.038(9) 0.025(8) 0.068(11) 0.001(7) -0.012(8) 0.005(7)
C18 0.024(7) 0.035(8) 0.036(7) -0.011(6) 0.001(6) -0.013(6)
C19 0.024(7) 0.025(7) 0.048(8) -0.010(6) -0.007(6) -0.013(6)
C20 0.031(8) 0.039(9) 0.033(8) -0.004(6) -0.007(6) -0.004(7)
C21 0.085(14) 0.058(11) 0.031(8) -0.013(7) -0.010(8) -0.003(10)
C22 0.14(2) 0.090(16) 0.050(12) -0.005(11) 0.020(13) -0.054(16)
C23 0.075(15) 0.14(2) 0.054(12) 0.003(13) -0.033(11) -0.011(14)
C24 0.15(2) 0.080(15) 0.037(10) -0.020(10) -0.001(12) -0.003(15)
N1A 0.015(5) 0.027(6) 0.036(6) -0.012(5) -0.006(4) -0.003(5)
O1A 0.034(5) 0.024(5) 0.064(7) -0.013(5) 0.004(5) -0.004(4)
O2A 0.056(7) 0.032(6) 0.038(6) -0.005(4) 0.012(5) -0.010(5)
O3A 0.026(5) 0.029(5) 0.050(6) -0.019(4) 0.000(4) -0.002(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
Ag N1 2.510(10) . y
Ag N2 2.471(10) . y
Ag S1 2.928(3) . y
Ag S2 2.568(4) . y
Ag S3 2.822(4) . y
Ag O1 2.600(8) . y
Ag O3 2.872(10) . y
N1 C1 1.446(16) . ?
N1 C10 1.491(16) . ?
N1 C18 1.440(17) . ?
N2 C2 1.488(16) . ?
N2 C3 1.462(15) . ?
N2 C11 1.479(16) . ?
N3 C12 1.376(17) . ?
N3 C13 1.414(17) . ?
N4 C13 1.353(16) . ?
N4 C14 1.470(17) . ?
N5 C19 1.364(17) . ?
N5 C20 1.431(17) . ?
N6 C20 1.344(18) . ?
N6 C21 1.469(19) . ?
O1 C12 1.195(15) . ?
O2 C13 1.229(16) . ?
O3 C19 1.216(16) . ?
O4 C20 1.221(17) . ?
S1 C4 1.788(14) . ?
S1 C5 1.834(13) . ?
S2 C6 1.808(13) . ?
S2 C7 1.820(16) . ?
S3 C8 1.812(14) . ?
S3 C9 1.818(15) . ?
C1 C2 1.528(16) . ?
C3 C4 1.538(17) . ?
C5 C6 1.533(18) . ?
C7 C8 1.56(2) . ?
C9 C10 1.536(19) . ?
C11 C12 1.513(18) . ?
C14 C17 1.51(2) . ?
C14 C15 1.53(2) . ?
C14 C16 1.55(2) . ?
C18 C19 1.520(19) . ?
C21 C24 1.52(3) . ?
C21 C22 1.55(3) . ?
C21 C23 1.56(3) . ?
N1A O3A 1.235(13) . ?
N1A O1A 1.256(13) . ?
N1A O2A 1.272(13) . ?
C1B C2B 1.28(6) . ?
C2B O3B 1.34(4) . ?
O3B C4B 1.34(4) . ?
C4B C5B 1.28(6) . ?
C1C C2C 1.28(6) . ?
C2C O3C 1.34(4) . ?
O3C C4C 1.34(4) . ?
C4C C5C 1.28(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag S1 146.5(2) . . y
N1 Ag S2 134.4(2) . . y
N1 Ag S3 76.3(3) . . y
N1 Ag N2 74.2(3) . . y
N2 Ag S1 73.3(2) . . y
N2 Ag S2 146.7(2) . . y
N2 Ag S3 92.4(3) . . y
S1 Ag S2 78.95(10) . . y
S1 Ag S3 112.70(10) . . y
S2 Ag S3 81.60(11) . . y
N1 Ag O1 84.6(3) . . y
N1 Ag O3 62.3(3) . . y
N2 Ag O1 68.8(3) . . y
N2 Ag O3 131.5(3) . . y
O1 Ag O3 86.3(3) . . y
O1 Ag S1 76.5(2) . . y
O1 Ag S2 122.0(2) . . y
O1 Ag S3 156.3(2) . . y
O3 Ag S1 141.5(2) . . y
O3 Ag S2 81.7(2) . . y
O3 Ag S3 96.8(2) . . y
C1 N1 Ag 108.7(7) . . ?
C1 N1 C10 111.5(10) . . ?
C2 N2 Ag 103.0(7) . . ?
C3 N2 Ag 105.4(7) . . ?
C3 N2 C11 111.6(9) . . ?
C3 N2 C2 109.8(9) . . ?
C3 C4 S1 117.7(8) . . ?
C4 S1 Ag 95.1(4) . . ?
C4 S1 C5 104.1(7) . . ?
C5 S1 Ag 84.7(4) . . ?
C5 C6 S2 114.2(9) . . ?
C6 S2 Ag 103.2(4) . . ?
C6 S2 C7 101.5(7) . . ?
C6 C5 S1 107.4(10) . . ?
C7 S2 Ag 102.0(5) . . ?
C7 C8 S3 108.3(9) . . ?
C8 S3 Ag 88.4(5) . . ?
C8 S3 C9 100.5(7) . . ?
C8 C7 S2 111.4(10) . . ?
C9 S3 Ag 97.3(4) . . ?
C10 N1 Ag 109.1(8) . . ?
C10 C9 S3 118.3(10) . . ?
C11 N2 Ag 115.4(7) . . ?
C11 N2 C2 111.2(10) . . ?
C12 N3 C13 128.2(10) . . ?
C13 N4 C14 124.0(11) . . ?
C15 C14 C16 109.9(13) . . ?
C17 C14 C15 109.2(12) . . ?
C17 C14 C16 111.5(13) . . ?
C18 N1 Ag 106.5(8) . . ?
C18 N1 C1 111.2(10) . . ?
C18 N1 C10 109.7(10) . . ?
C19 N5 C20 128.9(12) . . ?
C20 N6 C21 124.4(13) . . ?
C22 C21 C23 109.2(18) . . ?
C24 C21 C22 108.0(18) . . ?
C24 C21 C23 112.9(17) . . ?
N1 C1 C2 116.2(10) . . ?
N1 C10 C9 114.5(10) . . ?
N1 C18 C19 113.7(11) . . ?
N2 C2 C1 113.1(10) . . ?
N2 C3 C4 114.2(10) . . ?
N2 C11 C12 113.0(10) . . ?
N3 C12 C11 112.1(11) . . ?
N4 C13 N3 116.9(11) . . ?
N4 C14 C15 105.2(11) . . ?
N4 C14 C16 110.7(11) . . ?
N4 C14 C17 110.1(12) . . ?
N5 C19 C18 112.2(11) . . ?
N6 C20 N5 113.7(13) . . ?
N6 C21 C22 110.7(14) . . ?
N6 C21 C23 109.6(15) . . ?
N6 C21 C24 106.5(14) . . ?
O1 C12 N3 121.6(12) . . ?
O1 C12 C11 126.3(12) . . ?
O2 C13 N3 118.3(11) . . ?
O2 C13 N4 124.8(13) . . ?
O3 C19 N5 124.1(13) . . ?
O3 C19 C18 123.7(12) . . ?
O4 C20 N5 119.4(13) . . ?
O4 C20 N6 126.9(13) . . ?
O1A N1A O2A 120.4(10) . . ?
O1A N1A O3A 120.5(10) . . ?
O2A N1A O3A 119.1(10) . . ?
C1B C2B O3B 132(4) . . ?
C4B O3B C2B 127(5) . . ?
C5B C4B O3B 131(4) . . ?
C1C C2C O3C 132(4) . . ?
C4C O3C C2C 152(6) . . ?
C5C C4C O3C 132(4) . . ?

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
N2 Ag N1 C18 113.9(8) . . . . ?
S2 Ag N1 C18 -86.3(8) . . . . ?
S3 Ag N1 C18 -149.6(7) . . . . ?
S1 Ag N1 C18 99.9(8) . . . . ?
N2 Ag N1 C1 -6.1(8) . . . . ?
S2 Ag N1 C1 153.8(7) . . . . ?
S3 Ag N1 C1 90.5(8) . . . . ?
S1 Ag N1 C1 -20.1(11) . . . . ?
N2 Ag N1 C10 -127.8(8) . . . . ?
S2 Ag N1 C10 32.0(9) . . . . ?
S3 Ag N1 C10 -31.3(7) . . . . ?
S1 Ag N1 C10 -141.8(6) . . . . ?
N1 Ag N2 C3 145.3(8) . . . . ?
S2 Ag N2 C3 -8.0(10) . . . . ?
S3 Ag N2 C3 70.3(7) . . . . ?
S1 Ag N2 C3 -42.7(7) . . . . ?
N1 Ag N2 C11 -91.1(8) . . . . ?
S2 Ag N2 C11 115.6(7) . . . . ?
S3 Ag N2 C11 -166.1(7) . . . . ?
S1 Ag N2 C11 80.9(7) . . . . ?
N1 Ag N2 C2 30.2(7) . . . . ?
S2 Ag N2 C2 -123.1(7) . . . . ?
S3 Ag N2 C2 -44.8(7) . . . . ?
S1 Ag N2 C2 -157.8(7) . . . . ?
N2 Ag S1 C4 16.5(5) . . . . ?
N1 Ag S1 C4 30.6(7) . . . . ?
S2 Ag S1 C4 -144.9(5) . . . . ?
S3 Ag S1 C4 -69.0(5) . . . . ?
N2 Ag S1 C5 120.3(6) . . . . ?
N1 Ag S1 C5 134.3(7) . . . . ?
S2 Ag S1 C5 -41.2(5) . . . . ?
S3 Ag S1 C5 34.8(5) . . . . ?
N2 Ag S2 C6 -19.6(7) . . . . ?
N1 Ag S2 C6 -162.3(6) . . . . ?
S3 Ag S2 C6 -101.0(5) . . . . ?
S1 Ag S2 C6 14.2(5) . . . . ?
N2 Ag S2 C7 85.4(7) . . . . ?
N1 Ag S2 C7 -57.3(6) . . . . ?
S3 Ag S2 C7 4.0(5) . . . . ?
S1 Ag S2 C7 119.2(5) . . . . ?
N2 Ag S3 C8 179.3(5) . . . . ?
N1 Ag S3 C8 106.3(5) . . . . ?
S2 Ag S3 C8 -33.5(5) . . . . ?
S1 Ag S3 C8 -107.8(5) . . . . ?
N2 Ag S3 C9 79.0(5) . . . . ?
N1 Ag S3 C9 5.9(5) . . . . ?
S2 Ag S3 C9 -133.9(5) . . . . ?
S1 Ag S3 C9 151.9(5) . . . . ?
C18 N1 C1 C2 -137.3(11) . . . . ?
C10 N1 C1 C2 100.0(13) . . . . y
Ag N1 C1 C2 -20.3(13) . . . . ?
C3 N2 C2 C1 -165.1(10) . . . . y
C11 N2 C2 C1 70.9(13) . . . . ?
Ag N2 C2 C1 -53.3(11) . . . . ?
N1 C1 C2 N2 53.6(15) . . . . y
C11 N2 C3 C4 -57.8(13) . . . . ?
C2 N2 C3 C4 178.4(10) . . . . y
Ag N2 C3 C4 68.1(10) . . . . ?
N2 C3 C4 S1 -52.5(14) . . . . y
C5 S1 C4 C3 -76.3(11) . . . . y
Ag S1 C4 C3 9.4(10) . . . . ?
C4 S1 C5 C6 165.1(9) . . . . y
Ag S1 C5 C6 71.2(8) . . . . ?
S1 C5 C6 S2 -75.3(11) . . . . ?
C7 S2 C6 C5 -81.5(11) . . . . y
Ag S2 C6 C5 23.9(11) . . . . ?
C6 S2 C7 C8 140.9(10) . . . . y
Ag S2 C7 C8 34.6(10) . . . . ?
S2 C7 C8 S3 -78.4(11) . . . . y
C9 S3 C8 C7 164.4(10) . . . . y
Ag S3 C8 C7 67.3(10) . . . . ?
C8 S3 C9 C10 -70.0(11) . . . . y
Ag S3 C9 C10 19.8(11) . . . . ?
C18 N1 C10 C9 172.4(11) . . . . ?
C1 N1 C10 C9 -63.9(14) . . . . y
Ag N1 C10 C9 56.1(12) . . . . ?
S3 C9 C10 N1 -53.3(15) . . . . ?
C3 N2 C11 C12 111.8(11) . . . . ?
C2 N2 C11 C12 -125.3(11) . . . . ?
Ag N2 C11 C12 -8.5(12) . . . . ?
C13 N3 C12 O1 14.1(19) . . . . ?
C13 N3 C12 C11 -167.5(11) . . . . ?
N2 C11 C12 O1 23.9(17) . . . . ?
N2 C11 C12 N3 -154.4(10) . . . . ?
C14 N4 C13 O2 -13(2) . . . . ?
C14 N4 C13 N3 166.9(11) . . . . ?
C12 N3 C13 O2 173.7(12) . . . . ?
C12 N3 C13 N4 -6.7(18) . . . . ?
C13 N4 C14 C17 -59.1(16) . . . . ?
C13 N4 C14 C15 -176.6(12) . . . . ?
C13 N4 C14 C16 64.7(17) . . . . ?
C1 N1 C18 C19 160.6(10) . . . . ?
C10 N1 C18 C19 -75.5(13) . . . . ?
Ag N1 C18 C19 42.3(11) . . . . ?
C20 N5 C19 O3 7(2) . . . . ?
C20 N5 C19 C18 -172.6(12) . . . . ?
N1 C18 C19 O3 11.5(18) . . . . ?
N1 C18 C19 N5 -169.1(10) . . . . ?
C21 N6 C20 O4 1(2) . . . . ?
C21 N6 C20 N5 179.5(14) . . . . ?
C19 N5 C20 O4 176.2(13) . . . . ?
C19 N5 C20 N6 -2.0(19) . . . . ?
C20 N6 C21 C24 -177.1(16) . . . . ?
C20 N6 C21 C22 -60(2) . . . . ?
C20 N6 C21 C23 61(2) . . . . ?
C1B C2B O3B C4B -163(7) . . . . ?
C2B O3B C4B C5B 92(10) . . . . ?
C1C C2C O3C C4C 120(12) . . . . ?
C2C O3C C4C C5C 126(13) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N3 H3C O1A 0.88 2.09 2.926(14) 159.4 2_776
N4 H4B O1 0.88 2.03 2.677(14) 129.9 .
N5 H5C O2A 0.88 2.04 2.917(15) 171.8 1_545
N6 H6A O3 0.88 1.95 2.667(15) 137.5 .

_diffrn_measured_fraction_theta_max 0.867
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.867
_refine_diff_density_max         1.52
_refine_diff_density_min         -1.45
_refine_diff_density_rms         0.18