data_2008sjc0013
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C11 H12 Ag F3 N6 O3 S'
_chemical_formula_weight          473.20
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ag'  'Ag'  -0.8971   1.1015
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'S'  'S'   0.1246   0.1234
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting            Triclinic
_symmetry_space_group_name_H-M    P-1
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    10.95900(10)
_cell_length_b                    11.4830(2)
_cell_length_c                    14.0360(2)
_cell_angle_alpha                 96.4450(10)
_cell_angle_beta                  111.7310(10)
_cell_angle_gamma                 97.3180(10)
_cell_volume                      1602.88(4)
_cell_formula_units_Z             4
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     52416
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       27.48
 
_exptl_crystal_description        block
_exptl_crystal_colour             yellow
_exptl_crystal_size_max           0.10
_exptl_crystal_size_mid           0.10
_exptl_crystal_size_min           0.08
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.961
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              936
_exptl_absorpt_coefficient_mu     1.446
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.862
_exptl_absorpt_correction_T_max   0.891
_exptl_absorpt_process_details    'SADABS V2.10 (Sheldrick, G.M., 2003)'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       120(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'Bruker-Nonius KappaCCD Area Detector'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_detector_area_resol_mean  9.091
_diffrn_standards_number          none
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         negligible
_diffrn_reflns_number             35959
_diffrn_reflns_av_R_equivalents   0.0488
_diffrn_reflns_av_sigmaI/netI     0.0395
_diffrn_reflns_limit_h_min        -14
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_k_min        -14
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -18
_diffrn_reflns_limit_l_max        18
_diffrn_reflns_theta_min          3.17
_diffrn_reflns_theta_max          27.50
_reflns_number_total              7338
_reflns_number_gt                 6364
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        ?
_computing_cell_refinement        'DENZO, COLLECT'
_computing_data_reduction         'DENZO, COLLECT'
_computing_structure_solution     'SIR2004 (Giacovazzo, 2004)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'PLATON (Spek, 2003)'
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.0362P)²+2.6361P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          7338
_refine_ls_number_parameters      451
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0434
_refine_ls_R_factor_gt            0.0352
_refine_ls_wR_factor_ref          0.0878
_refine_ls_wR_factor_gt           0.0832
_refine_ls_goodness_of_fit_ref    1.060
_refine_ls_restrained_S_all       1.060
_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
C1 C 0.8636(3) 0.5369(3) 0.9113(2) 0.0178(6) Uani 1 1 d . . .
C2 C 0.7475(3) 0.3416(3) 0.9320(3) 0.0284(7) Uani 1 1 d . . .
H2A H 0.7419 0.2575 0.9059 0.043 Uiso 1 1 calc R . .
H2B H 0.6577 0.3612 0.9076 0.043 Uiso 1 1 calc R . .
H2C H 0.7869 0.3563 1.0083 0.043 Uiso 1 1 calc R . .
C3 C 0.8919(3) 0.3742(3) 0.8306(2) 0.0212(6) Uani 1 1 d . . .
H3 H 0.8878 0.2932 0.8047 0.025 Uiso 1 1 calc R . .
C4 C 0.9604(3) 0.4732(3) 0.8128(2) 0.0210(6) Uani 1 1 d . . .
H4 H 1.0125 0.4714 0.7718 0.025 Uiso 1 1 calc R . .
C5 C 0.8173(3) 0.6173(3) 0.9722(2) 0.0181(6) Uani 1 1 d . . .
H5 H 0.7619 0.5875 1.0058 0.022 Uiso 1 1 calc R . .
C6 C 0.8400(3) 0.9103(3) 1.0491(2) 0.0175(6) Uani 1 1 d . . .
H6 H 0.9088 0.9366 1.0264 0.021 Uiso 1 1 calc R . .
C7 C 0.7889(3) 0.9975(3) 1.0990(2) 0.0169(6) Uani 1 1 d . . .
C8 C 0.5827(3) 0.8659(3) 1.0968(3) 0.0268(7) Uani 1 1 d . . .
H8A H 0.5115 0.8793 1.1208 0.040 Uiso 1 1 calc R . .
H8B H 0.6300 0.8065 1.1326 0.040 Uiso 1 1 calc R . .
H8C H 0.5438 0.8369 1.0215 0.040 Uiso 1 1 calc R . .
C9 C 0.6624(3) 1.0857(3) 1.1628(2) 0.0207(6) Uani 1 1 d . . .
H9 H 0.5931 1.1001 1.1854 0.025 Uiso 1 1 calc R . .
C10 C 0.7661(3) 1.1684(3) 1.1669(2) 0.0195(6) Uani 1 1 d . . .
H10 H 0.7814 1.2512 1.1931 0.023 Uiso 1 1 calc R . .
C11 C 0.2364(3) 0.5180(3) 0.4259(2) 0.0186(6) Uani 1 1 d . . .
C12 C 0.3624(3) 0.3937(3) 0.3471(3) 0.0265(7) Uani 1 1 d . . .
H12A H 0.4381 0.4123 0.3266 0.040 Uiso 1 1 calc R . .
H12B H 0.2839 0.3517 0.2862 0.040 Uiso 1 1 calc R . .
H12C H 0.3851 0.3429 0.4004 0.040 Uiso 1 1 calc R . .
C13 C 0.4018(3) 0.6160(3) 0.3977(2) 0.0243(6) Uani 1 1 d . . .
H13 H 0.4748 0.6349 0.3777 0.029 Uiso 1 1 calc R . .
C14 C 0.3451(3) 0.6942(3) 0.4406(3) 0.0262(7) Uani 1 1 d . . .
H14 H 0.3727 0.7784 0.4556 0.031 Uiso 1 1 calc R . .
C15 C 0.1375(3) 0.4254(3) 0.4303(2) 0.0188(6) Uani 1 1 d . . .
H15 H 0.0793 0.4460 0.4630 0.023 Uiso 1 1 calc R . .
C16 C 0.0212(3) 0.1299(3) 0.3726(2) 0.0177(6) Uani 1 1 d . . .
H16 H 0.0826 0.1075 0.3440 0.021 Uiso 1 1 calc R . .
C17 C -0.0784(3) 0.0411(3) 0.3812(2) 0.0187(6) Uani 1 1 d . . .
C18 C -0.0134(3) -0.1422(3) 0.3077(2) 0.0236(6) Uani 1 1 d . . .
H18A H -0.0494 -0.2279 0.2918 0.035 Uiso 1 1 calc R . .
H18B H 0.0787 -0.1272 0.3592 0.035 Uiso 1 1 calc R . .
H18C H -0.0150 -0.1141 0.2439 0.035 Uiso 1 1 calc R . .
C19 C -0.1998(3) -0.1310(3) 0.3705(2) 0.0217(6) Uani 1 1 d . . .
H19 H -0.2351 -0.2138 0.3580 0.026 Uiso 1 1 calc R . .
C20 C -0.2433(3) -0.0399(3) 0.4131(2) 0.0216(6) Uani 1 1 d . . .
H20 H -0.3157 -0.0498 0.4349 0.026 Uiso 1 1 calc R . .
C21 C 0.5757(4) 0.4249(4) 0.1712(3) 0.0369(8) Uani 1 1 d . . .
C22 C 0.3780(3) -0.0095(3) 0.3221(3) 0.0306(7) Uani 1 1 d . . .
Ag1 Ag 0.13159(2) 0.71455(2) 0.537803(18) 0.02248(7) Uani 1 1 d . . .
Ag2 Ag 0.01288(2) 0.21069(2) 0.104774(19) 0.02228(7) Uani 1 1 d . . .
F1 F 0.4744(2) 0.4815(3) 0.1423(2) 0.0656(8) Uani 1 1 d . . .
F2 F 0.5354(3) 0.3273(2) 0.2037(2) 0.0565(7) Uani 1 1 d . . .
F3 F 0.6013(2) 0.3882(2) 0.08794(17) 0.0475(6) Uani 1 1 d . . .
F4 F 0.4270(2) -0.1098(2) 0.31256(18) 0.0401(5) Uani 1 1 d . . .
F5 F 0.4822(2) 0.0796(2) 0.36762(19) 0.0559(7) Uani 1 1 d . . .
F6 F 0.3156(3) -0.0229(3) 0.38706(19) 0.0627(8) Uani 1 1 d . . .
N1 N 0.8312(2) 0.4163(2) 0.8932(2) 0.0193(5) Uani 1 1 d . . .
N2 N 0.9417(2) 0.5738(2) 0.86292(19) 0.0201(5) Uani 1 1 d . . .
N3 N 0.8533(2) 0.7301(2) 0.97945(19) 0.0187(5) Uani 1 1 d . . .
N4 N 0.7950(2) 0.7978(2) 1.03459(19) 0.0189(5) Uani 1 1 d . . .
N5 N 0.6773(2) 0.9786(2) 1.12001(19) 0.0193(5) Uani 1 1 d . . .
N6 N 0.8453(2) 1.1127(2) 1.12677(19) 0.0176(5) Uani 1 1 d . . .
N7 N 0.3328(2) 0.5048(2) 0.3891(2) 0.0209(5) Uani 1 1 d . . .
N8 N 0.2427(2) 0.6334(2) 0.4589(2) 0.0209(5) Uani 1 1 d . . .
N9 N 0.1258(2) 0.3164(2) 0.3913(2) 0.0211(5) Uani 1 1 d . . .
N10 N 0.0245(2) 0.2413(2) 0.40487(19) 0.0194(5) Uani 1 1 d . . .
N11 N -0.0952(2) -0.0784(2) 0.34964(19) 0.0181(5) Uani 1 1 d . . .
N12 N -0.1679(2) 0.0672(2) 0.4197(2) 0.0206(5) Uani 1 1 d . . .
O1 O 0.8146(2) 0.4398(2) 0.3069(2) 0.0370(6) Uani 1 1 d . . .
O2 O 0.7600(3) 0.6071(2) 0.2183(2) 0.0430(7) Uani 1 1 d . . .
O3 O 0.6693(2) 0.5652(2) 0.34819(18) 0.0324(5) Uani 1 1 d . . .
O4 O 0.2198(3) 0.1208(2) 0.2236(2) 0.0382(6) Uani 1 1 d . . .
O5 O 0.1647(2) -0.0903(2) 0.1588(2) 0.0343(6) Uani 1 1 d . . .
O6 O 0.3518(2) 0.0270(3) 0.14118(19) 0.0374(6) Uani 1 1 d . . .
S1 S 0.72188(7) 0.51946(7) 0.27406(6) 0.02357(17) Uani 1 1 d . . .
S2 S 0.26617(7) 0.01509(7) 0.19715(6) 0.01942(15) Uani 1 1 d . . .
 
 
_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
C1 N2 1.332(4) . ?
C1 N1 1.355(4) . ?
C1 C5 1.451(4) . ?
C2 N1 1.466(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 N1 1.366(4) . ?
C3 C4 1.379(4) . ?
C3 H3 0.9500 . ?
C4 N2 1.363(4) . ?
C4 H4 0.9500 . ?
C5 N3 1.287(4) . ?
C5 H5 0.9500 . ?
C6 N4 1.287(4) . ?
C6 C7 1.444(4) . ?
C6 H6 0.9500 . ?
C7 N6 1.334(4) . ?
C7 N5 1.358(4) . ?
C8 N5 1.472(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 N5 1.364(4) . ?
C9 C10 1.365(4) . ?
C9 H9 0.9500 . ?
C10 N6 1.378(4) . ?
C10 H10 0.9500 . ?
C11 N8 1.338(4) . ?
C11 N7 1.354(4) . ?
C11 C15 1.442(4) . ?
C12 N7 1.471(4) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.361(5) . ?
C13 N7 1.366(4) . ?
C13 H13 0.9500 . ?
C14 N8 1.368(4) . ?
C14 H14 0.9500 . ?
C15 N9 1.280(4) . ?
C15 H15 0.9500 . ?
C16 N10 1.299(4) . ?
C16 C17 1.445(4) . ?
C16 H16 0.9500 . ?
C17 N12 1.333(4) . ?
C17 N11 1.361(4) . ?
C18 N11 1.465(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.370(4) . ?
C19 N11 1.370(4) . ?
C19 H19 0.9500 . ?
C20 N12 1.364(4) . ?
C20 H20 0.9500 . ?
C21 F1 1.315(4) . ?
C21 F3 1.335(4) . ?
C21 F2 1.340(5) . ?
C21 S1 1.823(4) . ?
C22 F5 1.332(4) . ?
C22 F6 1.338(4) . ?
C22 F4 1.346(4) . ?
C22 S2 1.806(3) . ?
Ag1 N8 2.152(2) . ?
Ag1 N10 2.231(2) 2_566 ?
Ag1 N12 2.456(3) 2_566 ?
Ag2 N6 2.170(2) 1_444 ?
Ag2 N3 2.284(2) 2_666 ?
Ag2 N2 2.418(3) 2_666 ?
N2 Ag2 2.418(3) 2_666 ?
N3 N4 1.403(3) . ?
N3 Ag2 2.284(2) 2_666 ?
N6 Ag2 2.170(2) 1_666 ?
N9 N10 1.401(3) . ?
N10 Ag1 2.231(2) 2_566 ?
N12 Ag1 2.456(3) 2_566 ?
O1 S1 1.438(2) . ?
O2 S1 1.453(3) . ?
O3 S1 1.445(2) . ?
O4 S2 1.437(2) . ?
O5 S2 1.435(2) . ?
O6 S2 1.433(2) . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
N2 C1 N1 111.1(3) . . ?
N2 C1 C5 123.5(3) . . ?
N1 C1 C5 125.4(3) . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 C4 106.1(3) . . ?
N1 C3 H3 126.9 . . ?
C4 C3 H3 126.9 . . ?
N2 C4 C3 109.6(3) . . ?
N2 C4 H4 125.2 . . ?
C3 C4 H4 125.2 . . ?
N3 C5 C1 118.1(3) . . ?
N3 C5 H5 121.0 . . ?
C1 C5 H5 121.0 . . ?
N4 C6 C7 121.8(3) . . ?
N4 C6 H6 119.1 . . ?
C7 C6 H6 119.1 . . ?
N6 C7 N5 110.4(2) . . ?
N6 C7 C6 122.7(3) . . ?
N5 C7 C6 126.9(3) . . ?
N5 C8 H8A 109.5 . . ?
N5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N5 C9 C10 106.8(3) . . ?
N5 C9 H9 126.6 . . ?
C10 C9 H9 126.6 . . ?
C9 C10 N6 109.1(3) . . ?
C9 C10 H10 125.4 . . ?
N6 C10 H10 125.4 . . ?
N8 C11 N7 110.3(3) . . ?
N8 C11 C15 122.3(3) . . ?
N7 C11 C15 127.4(3) . . ?
N7 C12 H12A 109.5 . . ?
N7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 N7 106.4(3) . . ?
C14 C13 H13 126.8 . . ?
N7 C13 H13 126.8 . . ?
C13 C14 N8 109.7(3) . . ?
C13 C14 H14 125.1 . . ?
N8 C14 H14 125.1 . . ?
N9 C15 C11 121.8(3) . . ?
N9 C15 H15 119.1 . . ?
C11 C15 H15 119.1 . . ?
N10 C16 C17 118.4(3) . . ?
N10 C16 H16 120.8 . . ?
C17 C16 H16 120.8 . . ?
N12 C17 N11 111.4(3) . . ?
N12 C17 C16 123.6(3) . . ?
N11 C17 C16 125.1(3) . . ?
N11 C18 H18A 109.5 . . ?
N11 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N11 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 N11 106.0(3) . . ?
C20 C19 H19 127.0 . . ?
N11 C19 H19 127.0 . . ?
N12 C20 C19 110.5(3) . . ?
N12 C20 H20 124.8 . . ?
C19 C20 H20 124.8 . . ?
F1 C21 F3 108.8(3) . . ?
F1 C21 F2 106.7(3) . . ?
F3 C21 F2 107.3(3) . . ?
F1 C21 S1 111.0(3) . . ?
F3 C21 S1 111.6(3) . . ?
F2 C21 S1 111.2(3) . . ?
F5 C22 F6 108.4(3) . . ?
F5 C22 F4 107.0(3) . . ?
F6 C22 F4 106.1(3) . . ?
F5 C22 S2 112.0(3) . . ?
F6 C22 S2 111.7(2) . . ?
F4 C22 S2 111.3(2) . . ?
N8 Ag1 N10 165.25(10) . 2_566 ?
N8 Ag1 N12 119.28(9) . 2_566 ?
N10 Ag1 N12 73.16(9) 2_566 2_566 ?
N6 Ag2 N3 158.08(9) 1_444 2_666 ?
N6 Ag2 N2 120.81(9) 1_444 2_666 ?
N3 Ag2 N2 72.77(9) 2_666 2_666 ?
C1 N1 C3 107.2(2) . . ?
C1 N1 C2 127.9(3) . . ?
C3 N1 C2 124.9(3) . . ?
C1 N2 C4 105.9(3) . . ?
C1 N2 Ag2 108.45(19) . 2_666 ?
C4 N2 Ag2 145.6(2) . 2_666 ?
C5 N3 N4 112.4(2) . . ?
C5 N3 Ag2 117.3(2) . 2_666 ?
N4 N3 Ag2 130.21(18) . 2_666 ?
C6 N4 N3 112.1(2) . . ?
C7 N5 C9 107.6(2) . . ?
C7 N5 C8 127.7(3) . . ?
C9 N5 C8 124.6(2) . . ?
C7 N6 C10 106.1(2) . . ?
C7 N6 Ag2 131.22(19) . 1_666 ?
C10 N6 Ag2 122.4(2) . 1_666 ?
C11 N7 C13 107.6(2) . . ?
C11 N7 C12 128.1(3) . . ?
C13 N7 C12 124.3(3) . . ?
C11 N8 C14 106.0(3) . . ?
C11 N8 Ag1 129.4(2) . . ?
C14 N8 Ag1 124.4(2) . . ?
C15 N9 N10 112.4(2) . . ?
C16 N10 N9 111.6(2) . . ?
C16 N10 Ag1 118.02(19) . 2_566 ?
N9 N10 Ag1 130.22(19) . 2_566 ?
C17 N11 C19 106.9(2) . . ?
C17 N11 C18 127.7(3) . . ?
C19 N11 C18 125.2(3) . . ?
C17 N12 C20 105.3(2) . . ?
C17 N12 Ag1 106.78(19) . 2_566 ?
C20 N12 Ag1 147.8(2) . 2_566 ?
O1 S1 O3 116.78(15) . . ?
O1 S1 O2 113.90(16) . . ?
O3 S1 O2 114.76(16) . . ?
O1 S1 C21 103.72(16) . . ?
O3 S1 C21 103.22(16) . . ?
O2 S1 C21 101.79(19) . . ?
O6 S2 O5 114.63(16) . . ?
O6 S2 O4 116.36(17) . . ?
O5 S2 O4 113.90(15) . . ?
O6 S2 C22 102.43(15) . . ?
O5 S2 C22 104.02(16) . . ?
O4 S2 C22 103.10(16) . . ?
 
_diffrn_measured_fraction_theta_max    0.997
_diffrn_reflns_theta_full              27.50
_diffrn_measured_fraction_theta_full   0.997
_refine_diff_density_max    0.735
_refine_diff_density_min   -0.874
_refine_diff_density_rms    0.111
 

