# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2011

data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
#TrackingRef '- acrispinirevised.CIF'

_publ_contact_author_name        'Crispini, Alessandra'
_publ_contact_author_address     
;
Dipartimento di Scienze Farmaceutiche
Universit\'a della Calabria
87030 Arcavacata di Rende (CS)
Italy
;
_publ_contact_author_email       a.crispini@unical.it
_publ_contact_author_fax         0984492066
_publ_contact_author_phone       0984492888
_publ_requested_coeditor_name    ?
_publ_contact_letter             
;
Please consider this CIF submission for publication as a
Comunication in Dalton Transactions
;
_publ_requested_category         FP

_publ_section_title              
;
2,2'-biquinolines as test pilots for tuning the colour
emission of luminescent mesomorphic silver(I) complexes
;

_publ_section_title_footnote     
;
?
;

loop_
_publ_author_name
_publ_author_address

D.Pucci
;
Dipartimento di Chimica
Universit\'a della Calabria
87030 Arcavacata di Rende (CS)
Italy
;
A.Crispini
;
Dipartimento di Scienze Farmaceutiche
Universit\'a della Calabria
87030 Arcavacata di Rende (CS)
Italy
;
M.Ghedini
;
Dipartimento di Chimica
Universit\'a della Calabria
87030 Arcavacata di Rende (CS)
Italy
;
E.Szerb
;
Dipartimento di Chimica
Universit\'a della Calabria
87030 Arcavacata di Rende (CS)
Italy
;
'M.La Deda'
;
Dipartimento di Scienze Farmaceutiche
Universit\'a della Calabria
87030 Arcavacata di Rende (CS)
Italy
;

data_(1)
_database_code_depnum_ccdc_archive 'CCDC 805766'
#TrackingRef '- acrispinirevised.CIF'

_audit_creation_method           SHELXL-97
_chemical_formula_moiety         'C19 H14 Ag F3 N2 O4 S'
_chemical_formula_sum            'C19 H14 Ag F3 N2 O4 S'
_chemical_formula_weight         531.25

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   ' P 2(1)/c '
_symmetry_space_group_name_Hall  ' -P 2ybc '

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                   13.5936(7)
_cell_length_b                   20.5452(12)
_cell_length_c                   7.1974(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.058(3)
_cell_angle_gamma                90.00
_cell_volume                     1990.27(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    6001

_exptl_crystal_description       parallelepiped
_exptl_crystal_colour            white
_exptl_crystal_size_min          0.12
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_max          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.773
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1056
_exptl_absorpt_coefficient_mu    1.174
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_correction_T_min  0.7822
_exptl_absorpt_correction_T_max  0.8719
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         '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            19398
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0328
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         1.51
_diffrn_reflns_theta_max         27.98
_reflns_number_total             4774
_reflns_number_gt                2931
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_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^)+(0.0814P)^2^+1.2217P] 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         4774
_refine_ls_number_parameters     271
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0890
_refine_ls_R_factor_gt           0.0519
_refine_ls_wR_factor_ref         0.1653
_refine_ls_wR_factor_gt          0.1438
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_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 0.18007(3) 0.383405(16) 0.54415(6) 0.0726(2) Uani 1 1 d . . .
N1 N 0.2968(2) 0.30218(16) 0.5314(4) 0.0457(7) Uani 1 1 d . . .
N2 N 0.1073(2) 0.28578(15) 0.5996(4) 0.0422(7) Uani 1 1 d . . .
C1 C 0.3918(3) 0.3131(2) 0.5004(5) 0.0500(10) Uani 1 1 d . . .
C2 C 0.4249(4) 0.3778(2) 0.4894(8) 0.0673(13) Uani 1 1 d . . .
H2 H 0.3825 0.4124 0.5036 0.081 Uiso 1 1 calc R . .
C3 C 0.5210(4) 0.3890(3) 0.4573(9) 0.0852(17) Uani 1 1 d . . .
H3A H 0.5431 0.4316 0.4494 0.102 Uiso 1 1 calc R . .
C4 C 0.5862(4) 0.3375(3) 0.4363(8) 0.0801(16) Uani 1 1 d . . .
H4 H 0.6505 0.3463 0.4133 0.096 Uiso 1 1 calc R . .
C5 C 0.5561(4) 0.2759(3) 0.4492(7) 0.0707(14) Uani 1 1 d . . .
H5 H 0.6007 0.2423 0.4379 0.085 Uiso 1 1 calc R . .
C6 C 0.4580(3) 0.2606(2) 0.4797(5) 0.0525(10) Uani 1 1 d . . .
C7 C 0.4211(3) 0.1977(2) 0.4923(6) 0.0571(11) Uani 1 1 d . . .
H7 H 0.4620 0.1622 0.4794 0.069 Uiso 1 1 calc R . .
C8 C 0.3263(3) 0.1878(2) 0.5232(6) 0.0534(10) Uani 1 1 d . . .
H8 H 0.3020 0.1457 0.5309 0.064 Uiso 1 1 calc R . .
C9 C 0.2648(3) 0.24160(18) 0.5436(5) 0.0430(8) Uani 1 1 d . . .
C10 C 0.1595(3) 0.23250(18) 0.5819(5) 0.0397(8) Uani 1 1 d . . .
C11 C 0.1192(3) 0.17009(19) 0.5992(6) 0.0515(10) Uani 1 1 d . . .
H11 H 0.1573 0.1332 0.5853 0.062 Uiso 1 1 calc R . .
C12 C 0.0250(3) 0.1640(2) 0.6362(6) 0.0535(10) Uani 1 1 d . . .
H12 H -0.0016 0.1228 0.6485 0.064 Uiso 1 1 calc R . .
C13 C -0.0332(3) 0.21924(19) 0.6564(5) 0.0454(9) Uani 1 1 d . . .
C14 C -0.1324(3) 0.2173(2) 0.6942(6) 0.0557(10) Uani 1 1 d . . .
H14 H -0.1627 0.1773 0.7079 0.067 Uiso 1 1 calc R . .
C15 C -0.1839(3) 0.2729(3) 0.7107(6) 0.0593(11) Uani 1 1 d . . .
H15 H -0.2488 0.2709 0.7372 0.071 Uiso 1 1 calc R . .
C16 C -0.1398(3) 0.3334(2) 0.6882(6) 0.0609(11) Uani 1 1 d . . .
H16 H -0.1762 0.3713 0.6978 0.073 Uiso 1 1 calc R . .
C17 C -0.0444(3) 0.3374(2) 0.6524(6) 0.0535(10) Uani 1 1 d . . .
H17 H -0.0159 0.3779 0.6390 0.064 Uiso 1 1 calc R . .
C18 C 0.0112(3) 0.28059(18) 0.6357(5) 0.0415(8) Uani 1 1 d . . .
S1 S 0.21551(14) 0.51425(6) 0.8925(2) 0.0936(5) Uani 1 1 d . . .
O1 O 0.2198(5) 0.44840(17) 0.8480(6) 0.1233(18) Uani 1 1 d . . .
O2 O 0.1960(5) 0.55617(19) 0.7375(7) 0.142(2) Uani 1 1 d . . .
O3 O 0.1563(5) 0.5255(3) 1.0457(8) 0.145(2) Uani 1 1 d . . .
C19 C 0.3379(7) 0.5379(5) 1.0062(14) 0.124(3) Uani 1 1 d . . .
F1 F 0.3370(6) 0.5995(3) 1.0502(12) 0.207(3) Uani 1 1 d . . .
F2 F 0.4042(5) 0.5316(6) 0.9040(13) 0.279(5) Uani 1 1 d . . .
F3 F 0.3623(5) 0.5007(3) 1.1505(9) 0.193(3) Uani 1 1 d . . .
O4 O 0.1343(5) 0.47949(19) 0.4124(7) 0.142(2) Uani 1 1 d . . .
H4A H 0.1299 0.4763 0.2910 0.171 Uiso 1 1 d R . .
H4B H 0.1788 0.5085 0.4528 0.171 Uiso 1 1 d 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
Ag 0.0732(3) 0.0396(2) 0.1084(4) 0.00431(17) 0.0243(2) 0.00190(15)
N1 0.0461(18) 0.0473(18) 0.0438(18) -0.0027(14) 0.0065(14) 0.0009(15)
N2 0.0470(17) 0.0366(16) 0.0427(17) -0.0017(13) 0.0056(14) 0.0003(14)
C1 0.049(2) 0.061(3) 0.040(2) -0.0011(18) 0.0058(17) 0.000(2)
C2 0.062(3) 0.063(3) 0.079(3) 0.001(2) 0.017(2) -0.010(2)
C3 0.069(4) 0.098(5) 0.088(4) 0.012(3) 0.011(3) -0.026(3)
C4 0.049(3) 0.118(5) 0.075(3) 0.008(3) 0.011(2) -0.008(3)
C5 0.049(3) 0.108(4) 0.056(3) 0.003(3) 0.008(2) 0.006(3)
C6 0.045(2) 0.073(3) 0.038(2) -0.0027(19) 0.0018(17) 0.005(2)
C7 0.055(3) 0.068(3) 0.048(2) -0.001(2) 0.0053(19) 0.018(2)
C8 0.058(3) 0.049(2) 0.053(2) -0.0046(19) 0.0077(19) 0.0058(19)
C9 0.051(2) 0.045(2) 0.0322(19) -0.0011(15) 0.0013(16) 0.0038(17)
C10 0.049(2) 0.0382(19) 0.0314(18) -0.0042(14) 0.0030(15) 0.0033(16)
C11 0.058(2) 0.040(2) 0.056(2) -0.0011(17) 0.009(2) 0.0037(18)
C12 0.066(3) 0.040(2) 0.054(2) 0.0019(17) 0.007(2) -0.0086(19)
C13 0.047(2) 0.051(2) 0.037(2) 0.0024(16) 0.0051(16) -0.0071(18)
C14 0.052(2) 0.065(3) 0.049(2) 0.002(2) 0.0048(19) -0.013(2)
C15 0.044(2) 0.080(3) 0.054(3) -0.001(2) 0.0075(19) 0.000(2)
C16 0.055(3) 0.068(3) 0.061(3) -0.003(2) 0.012(2) 0.014(2)
C17 0.055(2) 0.048(2) 0.059(3) -0.0003(19) 0.0136(19) 0.0029(19)
C18 0.044(2) 0.045(2) 0.0352(19) -0.0005(15) 0.0035(16) 0.0033(16)
S1 0.1327(14) 0.0467(7) 0.0967(11) -0.0051(7) 0.0004(10) 0.0056(8)
O1 0.234(6) 0.045(2) 0.087(3) 0.0013(19) 0.009(3) 0.010(3)
O2 0.237(7) 0.054(2) 0.117(4) 0.008(2) -0.034(4) 0.014(3)
O3 0.149(4) 0.166(6) 0.130(4) -0.035(4) 0.056(4) 0.009(4)
C19 0.118(6) 0.121(7) 0.134(7) 0.031(6) 0.018(5) -0.014(5)
F1 0.209(7) 0.126(4) 0.266(8) -0.006(5) -0.040(6) -0.076(4)
F2 0.118(4) 0.444(15) 0.294(10) 0.145(10) 0.093(6) 0.017(7)
F3 0.185(5) 0.213(6) 0.160(5) 0.075(5) -0.050(4) -0.026(4)
O4 0.262(7) 0.054(2) 0.106(4) 0.007(2) 0.007(4) 0.014(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
Ag O4 2.240(4) . ?
Ag N2 2.296(3) . ?
Ag N1 2.313(3) . ?
Ag O1 2.555(4) . ?
N1 C9 1.325(5) . ?
N1 C1 1.360(5) . ?
N2 C10 1.320(5) . ?
N2 C18 1.372(5) . ?
C1 C2 1.408(6) . ?
C1 C6 1.426(6) . ?
C2 C3 1.378(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.401(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.339(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.417(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.394(6) . ?
C7 C8 1.354(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.406(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.507(5) . ?
C10 C11 1.407(5) . ?
C11 C12 1.351(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.402(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.412(6) . ?
C13 C18 1.414(5) . ?
C14 C15 1.354(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.398(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.359(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.405(5) . ?
C17 H17 0.9300 . ?
S1 O1 1.393(4) . ?
S1 O2 1.405(5) 1 ?
S1 O2 1.405(5) . ?
S1 O3 1.472(5) . ?
S1 C19 1.814(9) . ?
O2 O2 0.0000 1 ?
C19 F2 1.247(10) . ?
C19 F3 1.295(9) . ?
C19 F1 1.306(11) . ?
O4 H4A 0.8701 . ?
O4 H4B 0.8701 . ?

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
O4 Ag N2 137.97(19) . . ?
O4 Ag N1 140.38(19) . . ?
N2 Ag N1 72.01(11) . . ?
O4 Ag O1 85.10(15) . . ?
N2 Ag O1 110.62(13) . . ?
N1 Ag O1 110.31(14) . . ?
C9 N1 C1 119.6(3) . . ?
C9 N1 Ag 116.2(3) . . ?
C1 N1 Ag 124.0(3) . . ?
C10 N2 C18 119.5(3) . . ?
C10 N2 Ag 117.2(2) . . ?
C18 N2 Ag 123.1(2) . . ?
N1 C1 C2 118.9(4) . . ?
N1 C1 C6 121.3(4) . . ?
C2 C1 C6 119.8(4) . . ?
C3 C2 C1 119.0(5) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 121.4(5) . . ?
C2 C3 H3A 119.3 . . ?
C4 C3 H3A 119.3 . . ?
C5 C4 C3 120.2(5) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 121.6(5) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C7 C6 C5 124.8(4) . . ?
C7 C6 C1 117.2(4) . . ?
C5 C6 C1 118.0(4) . . ?
C8 C7 C6 120.6(4) . . ?
C8 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C7 C8 C9 119.5(4) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
N1 C9 C8 121.7(4) . . ?
N1 C9 C10 117.2(3) . . ?
C8 C9 C10 121.0(3) . . ?
N2 C10 C11 121.8(4) . . ?
N2 C10 C9 116.9(3) . . ?
C11 C10 C9 121.4(3) . . ?
C12 C11 C10 119.5(4) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C13 120.7(4) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C12 C13 C14 124.4(4) . . ?
C12 C13 C18 117.0(4) . . ?
C14 C13 C18 118.6(4) . . ?
C15 C14 C13 120.8(4) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C14 C15 C16 120.3(4) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C15 120.7(4) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C16 C17 C18 120.4(4) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
N2 C18 C17 119.4(3) . . ?
N2 C18 C13 121.4(3) . . ?
C17 C18 C13 119.2(4) . . ?
O1 S1 O2 115.0(3) . 1 ?
O1 S1 O2 115.0(3) . . ?
O2 S1 O2 0.0(6) 1 . ?
O1 S1 O3 111.7(4) . . ?
O2 S1 O3 115.9(4) 1 . ?
O2 S1 O3 115.9(4) . . ?
O1 S1 C19 107.4(4) . . ?
O2 S1 C19 104.7(4) 1 . ?
O2 S1 C19 104.7(4) . . ?
O3 S1 C19 100.5(4) . . ?
S1 O1 Ag 133.9(3) . . ?
O2 O2 S1 0(10) 1 . ?
F2 C19 F3 106.6(9) . . ?
F2 C19 F1 106.0(9) . . ?
F3 C19 F1 112.8(10) . . ?
F2 C19 S1 113.5(9) . . ?
F3 C19 S1 108.7(6) . . ?
F1 C19 S1 109.3(7) . . ?
Ag O4 H4A 109.6 . . ?
Ag O4 H4B 108.9 . . ?
H4A O4 H4B 109.5 . . ?

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
O4 H4A O3 0.87 2.11 2.858(8) 144.1 1_554
O4 H4B O2 0.87 2.25 2.847(7) 125.5 1

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.98
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.942
_refine_diff_density_min         -0.814
_refine_diff_density_rms         0.085
#===END

data_(2)
_database_code_depnum_ccdc_archive 'CCDC 805767'
#TrackingRef '- acrispinirevised.CIF'

_audit_creation_method           SHELXL-97
_chemical_formula_moiety         'C22 H18 Ag N2 O5, C F3 O3 S '
_chemical_formula_sum            'C23 H18 Ag F3 N2 O8 S'
_chemical_formula_weight         647.32

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   7.2305(16)
_cell_length_b                   12.765(3)
_cell_length_c                   13.307(3)
_cell_angle_alpha                83.416(10)
_cell_angle_beta                 81.940(10)
_cell_angle_gamma                86.948(10)
_cell_volume                     1207.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    8649
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      29.58

_exptl_crystal_description       parallelepiped
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             648
_exptl_absorpt_coefficient_mu    0.998
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_correction_T_min  0.7390
_exptl_absorpt_correction_T_max  0.7943
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         '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            23305
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         28.28
_reflns_number_total             5904
_reflns_number_gt                4602
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_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^)+(0.0420P)^2^+0.5014P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5904
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0331
_refine_ls_wR_factor_ref         0.0867
_refine_ls_wR_factor_gt          0.0792
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_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
Ag Ag 0.68663(3) 0.725831(15) -0.017100(15) 0.04796(8) Uani 1 1 d . . .
N1 N 0.7653(2) 0.54545(14) -0.02888(13) 0.0298(4) Uani 1 1 d . . .
N2 N 0.5752(2) 0.63231(15) 0.13477(14) 0.0320(4) Uani 1 1 d . . .
C1 C 0.8656(3) 0.50560(18) -0.11275(16) 0.0298(4) Uani 1 1 d . . .
C2 C 0.9333(3) 0.5770(2) -0.19709(17) 0.0379(5) Uani 1 1 d . . .
H2 H 0.9110 0.6492 -0.1950 0.068 Uiso 1 1 calc R . .
C3 C 1.0323(3) 0.5396(2) -0.28222(18) 0.0436(6) Uani 1 1 d . . .
H3 H 1.0773 0.5868 -0.3376 0.078 Uiso 1 1 calc R . .
C4 C 1.0663(3) 0.4309(2) -0.28659(18) 0.0448(6) Uani 1 1 d . . .
H4 H 1.1314 0.4068 -0.3454 0.081 Uiso 1 1 calc R . .
C5 C 1.0053(3) 0.3603(2) -0.20595(17) 0.0387(5) Uani 1 1 d . . .
H5 H 1.0297 0.2885 -0.2098 0.070 Uiso 1 1 calc R . .
C6 C 0.9042(3) 0.39573(18) -0.11568(16) 0.0309(5) Uani 1 1 d . . .
C7 C 0.8336(3) 0.32866(17) -0.02817(16) 0.0305(4) Uani 1 1 d . . .
C8 C 0.7310(3) 0.37007(17) 0.05367(16) 0.0312(4) Uani 1 1 d . . .
H8 H 0.6818 0.3257 0.1104 0.056 Uiso 1 1 calc R . .
C9 C 0.7005(3) 0.48045(17) 0.05136(15) 0.0278(4) Uani 1 1 d . . .
C10 C 0.5953(3) 0.52842(17) 0.14156(15) 0.0291(4) Uani 1 1 d . . .
C11 C 0.5231(3) 0.46401(19) 0.23000(17) 0.0350(5) Uani 1 1 d . . .
H11 H 0.5386 0.3910 0.2322 0.063 Uiso 1 1 calc R . .
C12 C 0.4297(3) 0.5082(2) 0.31309(17) 0.0372(5) Uani 1 1 d . . .
C13 C 0.4093(3) 0.6197(2) 0.30956(17) 0.0386(5) Uani 1 1 d . . .
C14 C 0.3168(4) 0.6776(3) 0.3895(2) 0.0542(7) Uani 1 1 d . . .
H14 H 0.2673 0.6413 0.4512 0.098 Uiso 1 1 calc R . .
C15 C 0.3005(5) 0.7842(3) 0.3767(2) 0.0674(9) Uani 1 1 d . . .
H15 H 0.2381 0.8199 0.4294 0.121 Uiso 1 1 calc R . .
C16 C 0.3755(5) 0.8414(3) 0.2859(3) 0.0698(9) Uani 1 1 d . . .
H16 H 0.3630 0.9147 0.2786 0.126 Uiso 1 1 calc R . .
C17 C 0.4677(4) 0.7901(2) 0.2075(2) 0.0530(7) Uani 1 1 d . . .
H17 H 0.5189 0.8288 0.1475 0.095 Uiso 1 1 calc R . .
C18 C 0.4852(3) 0.6791(2) 0.21721(18) 0.0374(5) Uani 1 1 d . . .
C19 C 0.8764(3) 0.21223(19) -0.02120(17) 0.0353(5) Uani 1 1 d . . .
C20 C 0.7486(4) 0.0444(2) 0.0237(3) 0.0625(8) Uani 1 1 d . . .
H20A H 0.7861 0.0179 -0.0411 0.094 Uiso 1 1 calc R . .
H20B H 0.6332 0.0140 0.0552 0.094 Uiso 1 1 calc R . .
H20C H 0.8435 0.0259 0.0670 0.094 Uiso 1 1 calc R . .
C21 C 0.3494(4) 0.4360(2) 0.40414(19) 0.0463(6) Uani 1 1 d . . .
C22 C 0.2816(6) 0.2582(3) 0.4622(3) 0.0792(10) Uani 1 1 d . . .
H22A H 0.3396 0.2623 0.5222 0.119 Uiso 1 1 calc R . .
H22B H 0.3084 0.1898 0.4390 0.119 Uiso 1 1 calc R . .
H22C H 0.1489 0.2693 0.4780 0.119 Uiso 1 1 calc R . .
C23 C 0.1811(8) 0.9824(3) 0.6466(4) 0.0950(13) Uani 1 1 d . . .
S1 S 0.19935(10) 0.85003(6) 0.70805(5) 0.05171(17) Uani 1 1 d . . .
O1 O 0.6719(3) 0.85616(16) -0.14380(15) 0.0549(5) Uani 1 1 d . . .
H1W H 0.7885 0.8641 -0.1808 0.082 Uiso 1 1 d R . .
H2W H 0.5866 0.8479 -0.1844 0.082 Uiso 1 1 d R . .
O2 O 1.0321(2) 0.17364(14) -0.03974(15) 0.0489(4) Uani 1 1 d . . .
O3 O 0.7230(2) 0.15863(13) 0.00843(14) 0.0445(4) Uani 1 1 d . . .
O4 O 0.2876(5) 0.4617(2) 0.48482(17) 0.1134(12) Uani 1 1 d . . .
O5 O 0.3539(3) 0.33828(17) 0.38291(15) 0.0674(6) Uani 1 1 d . . .
O6 O 0.1800(5) 0.7870(2) 0.6293(2) 0.0959(9) Uani 1 1 d . . .
O7 O 0.0510(3) 0.8460(2) 0.79119(18) 0.0831(7) Uani 1 1 d . . .
O8 O 0.3774(4) 0.8423(3) 0.7418(2) 0.0990(9) Uani 1 1 d . . .
F3 F 0.1940(7) 1.0518(2) 0.7095(3) 0.1695(16) Uani 1 1 d . . .
F1 F 0.3058(7) 0.9986(3) 0.5686(3) 0.1869(19) Uani 1 1 d . . .
F2 F 0.0171(6) 1.0001(3) 0.6145(3) 0.1789(18) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag 0.05215(13) 0.03830(12) 0.04868(13) 0.00643(8) 0.00045(9) -0.00143(8)
N1 0.0274(9) 0.0343(10) 0.0261(9) -0.0002(7) -0.0011(7) -0.0015(7)
N2 0.0277(9) 0.0373(10) 0.0306(9) -0.0038(8) -0.0031(7) -0.0001(8)
C1 0.0228(10) 0.0400(12) 0.0261(10) -0.0009(9) -0.0027(8) -0.0037(8)
C2 0.0336(12) 0.0455(14) 0.0316(12) 0.0054(10) -0.0009(9) -0.0041(10)
C3 0.0353(12) 0.0632(17) 0.0285(11) 0.0066(11) 0.0018(9) -0.0080(11)
C4 0.0348(12) 0.0695(18) 0.0284(12) -0.0066(11) 0.0034(9) -0.0035(12)
C5 0.0341(12) 0.0489(14) 0.0323(12) -0.0082(10) 0.0009(9) -0.0015(10)
C6 0.0238(10) 0.0412(12) 0.0282(10) -0.0050(9) -0.0037(8) -0.0020(9)
C7 0.0261(10) 0.0343(11) 0.0309(11) -0.0034(9) -0.0032(8) -0.0025(8)
C8 0.0279(10) 0.0350(12) 0.0288(11) 0.0004(9) 0.0001(8) -0.0029(9)
C9 0.0243(10) 0.0338(11) 0.0249(10) -0.0020(8) -0.0028(8) -0.0023(8)
C10 0.0242(10) 0.0389(12) 0.0242(10) -0.0038(9) -0.0028(8) -0.0015(9)
C11 0.0331(11) 0.0411(13) 0.0293(11) -0.0012(9) -0.0004(9) -0.0022(10)
C12 0.0305(11) 0.0544(15) 0.0260(11) -0.0038(10) -0.0020(9) 0.0000(10)
C13 0.0314(11) 0.0540(15) 0.0314(12) -0.0101(10) -0.0050(9) 0.0027(10)
C14 0.0565(17) 0.071(2) 0.0347(13) -0.0162(13) -0.0008(12) 0.0128(14)
C15 0.081(2) 0.071(2) 0.0506(18) -0.0264(16) -0.0029(16) 0.0204(18)
C16 0.093(3) 0.0531(18) 0.063(2) -0.0230(16) -0.0062(18) 0.0174(17)
C17 0.0650(18) 0.0442(15) 0.0488(15) -0.0098(12) -0.0036(13) 0.0052(13)
C18 0.0323(11) 0.0465(14) 0.0343(12) -0.0098(10) -0.0043(9) 0.0018(10)
C19 0.0370(12) 0.0379(12) 0.0309(11) -0.0061(9) -0.0018(9) -0.0024(10)
C20 0.0569(18) 0.0341(14) 0.096(2) -0.0094(15) -0.0044(16) -0.0070(13)
C21 0.0420(14) 0.0621(18) 0.0315(13) 0.0010(12) 0.0020(10) -0.0026(12)
C22 0.095(3) 0.071(2) 0.060(2) 0.0223(17) 0.0102(18) -0.016(2)
C23 0.127(4) 0.071(3) 0.083(3) 0.009(2) -0.016(3) -0.006(3)
S1 0.0509(4) 0.0584(4) 0.0429(4) 0.0050(3) -0.0035(3) -0.0058(3)
O1 0.0492(11) 0.0573(12) 0.0536(11) 0.0110(9) -0.0037(9) -0.0040(9)
O2 0.0380(9) 0.0396(10) 0.0652(12) -0.0060(9) 0.0039(8) 0.0050(8)
O3 0.0373(9) 0.0334(9) 0.0619(11) -0.0055(8) -0.0028(8) -0.0033(7)
O4 0.191(3) 0.0880(19) 0.0437(13) -0.0115(13) 0.0576(17) -0.032(2)
O5 0.0891(16) 0.0559(13) 0.0442(11) 0.0121(9) 0.0204(10) 0.0012(11)
O6 0.141(3) 0.0810(18) 0.0695(16) -0.0197(14) -0.0144(16) -0.0181(17)
O7 0.0615(14) 0.116(2) 0.0656(15) 0.0004(14) 0.0112(11) -0.0194(14)
O8 0.0598(15) 0.155(3) 0.0811(18) -0.0015(18) -0.0211(13) 0.0129(16)
F3 0.276(5) 0.0666(17) 0.171(3) -0.025(2) -0.032(3) -0.022(2)
F1 0.268(5) 0.127(3) 0.128(3) 0.057(2) 0.059(3) -0.043(3)
F2 0.210(4) 0.163(3) 0.166(3) 0.012(3) -0.089(3) 0.086(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
Ag O1 2.2383(19) . ?
Ag N2 2.2915(19) . ?
Ag N1 2.3597(19) . ?
N1 C9 1.321(3) . ?
N1 C1 1.376(3) . ?
N2 C10 1.321(3) . ?
N2 C18 1.376(3) . ?
C1 C2 1.411(3) . ?
C1 C6 1.419(3) . ?
C2 C3 1.373(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.402(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.359(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.423(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.415(3) . ?
C7 C8 1.371(3) . ?
C7 C19 1.497(3) . ?
C8 C9 1.412(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.502(3) . ?
C10 C11 1.409(3) . ?
C11 C12 1.375(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.418(4) . ?
C12 C21 1.503(4) . ?
C13 C18 1.424(3) . ?
C13 C14 1.433(3) . ?
C14 C15 1.352(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.394(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.370(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.409(4) . ?
C17 H17 0.9300 . ?
C19 O2 1.209(3) . ?
C19 O3 1.323(3) . ?
C20 O3 1.454(3) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 O4 1.179(3) . ?
C21 O5 1.308(4) . ?
C22 O5 1.444(4) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 F1 1.281(6) . ?
C23 F3 1.302(5) . ?
C23 F2 1.316(6) . ?
C23 S1 1.797(4) . ?
S1 O8 1.417(3) . ?
S1 O6 1.418(3) . ?
S1 O7 1.427(2) . ?
O1 H1W 0.9194 . ?
O1 H2W 0.8929 . ?

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 Ag N2 153.63(7) . . ?
O1 Ag N1 128.39(7) . . ?
N2 Ag N1 71.64(6) . . ?
C9 N1 C1 119.77(18) . . ?
C9 N1 Ag 115.40(13) . . ?
C1 N1 Ag 124.80(14) . . ?
C10 N2 C18 119.11(19) . . ?
C10 N2 Ag 117.72(14) . . ?
C18 N2 Ag 123.15(16) . . ?
N1 C1 C2 118.4(2) . . ?
N1 C1 C6 121.89(19) . . ?
C2 C1 C6 119.7(2) . . ?
C3 C2 C1 119.7(2) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C2 C3 C4 120.8(2) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 120.8(2) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 120.3(2) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C7 C6 C1 116.72(19) . . ?
C7 C6 C5 124.6(2) . . ?
C1 C6 C5 118.7(2) . . ?
C8 C7 C6 120.3(2) . . ?
C8 C7 C19 118.82(19) . . ?
C6 C7 C19 120.82(19) . . ?
C7 C8 C9 119.6(2) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
N1 C9 C8 121.67(19) . . ?
N1 C9 C10 117.49(18) . . ?
C8 C9 C10 120.83(19) . . ?
N2 C10 C11 121.82(19) . . ?
N2 C10 C9 117.53(19) . . ?
C11 C10 C9 120.64(19) . . ?
C12 C11 C10 120.5(2) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C13 119.3(2) . . ?
C11 C12 C21 118.4(2) . . ?
C13 C12 C21 122.3(2) . . ?
C12 C13 C18 116.7(2) . . ?
C12 C13 C14 126.1(2) . . ?
C18 C13 C14 117.2(2) . . ?
C15 C14 C13 121.1(3) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C14 C15 C16 121.1(3) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C17 C16 C15 120.3(3) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 120.3(3) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
N2 C18 C17 117.5(2) . . ?
N2 C18 C13 122.5(2) . . ?
C17 C18 C13 120.0(2) . . ?
O2 C19 O3 125.3(2) . . ?
O2 C19 C7 123.6(2) . . ?
O3 C19 C7 111.16(19) . . ?
O3 C20 H20A 109.5 . . ?
O3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O4 C21 O5 122.9(3) . . ?
O4 C21 C12 125.9(3) . . ?
O5 C21 C12 111.2(2) . . ?
O5 C22 H22A 109.5 . . ?
O5 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O5 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
F1 C23 F3 109.3(5) . . ?
F1 C23 F2 107.2(4) . . ?
F3 C23 F2 106.6(5) . . ?
F1 C23 S1 111.8(4) . . ?
F3 C23 S1 111.5(3) . . ?
F2 C23 S1 110.2(4) . . ?
O8 S1 O6 115.13(19) . . ?
O8 S1 O7 112.08(16) . . ?
O6 S1 O7 115.81(18) . . ?
O8 S1 C23 104.7(2) . . ?
O6 S1 C23 103.3(2) . . ?
O7 S1 C23 104.1(2) . . ?
Ag O1 H1W 109.3 . . ?
Ag O1 H2W 114.2 . . ?
H1W O1 H2W 111.0 . . ?
C19 O3 C20 116.2(2) . . ?
C21 O5 C22 118.5(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
O1 Ag N1 C9 -156.52(14) . . . . ?
N2 Ag N1 C9 3.79(14) . . . . ?
O1 Ag N1 C1 21.25(19) . . . . ?
N2 Ag N1 C1 -178.44(17) . . . . ?
O1 Ag N2 C10 139.53(17) . . . . ?
N1 Ag N2 C10 -3.98(14) . . . . ?
O1 Ag N2 C18 -38.8(3) . . . . ?
N1 Ag N2 C18 177.70(18) . . . . ?
C9 N1 C1 C2 -179.84(19) . . . . ?
Ag N1 C1 C2 2.5(3) . . . . ?
C9 N1 C1 C6 -0.8(3) . . . . ?
Ag N1 C1 C6 -178.44(14) . . . . ?
N1 C1 C2 C3 -179.4(2) . . . . ?
C6 C1 C2 C3 1.5(3) . . . . ?
C1 C2 C3 C4 0.3(4) . . . . ?
C2 C3 C4 C5 -1.3(4) . . . . ?
C3 C4 C5 C6 0.5(4) . . . . ?
N1 C1 C6 C7 0.4(3) . . . . ?
C2 C1 C6 C7 179.43(19) . . . . ?
N1 C1 C6 C5 178.66(19) . . . . ?
C2 C1 C6 C5 -2.3(3) . . . . ?
C4 C5 C6 C7 179.4(2) . . . . ?
C4 C5 C6 C1 1.3(3) . . . . ?
C1 C6 C7 C8 0.9(3) . . . . ?
C5 C6 C7 C8 -177.3(2) . . . . ?
C1 C6 C7 C19 -176.33(19) . . . . ?
C5 C6 C7 C19 5.5(3) . . . . ?
C6 C7 C8 C9 -1.8(3) . . . . ?
C19 C7 C8 C9 175.54(19) . . . . ?
C1 N1 C9 C8 -0.1(3) . . . . ?
Ag N1 C9 C8 177.78(15) . . . . ?
C1 N1 C9 C10 178.80(17) . . . . ?
Ag N1 C9 C10 -3.3(2) . . . . ?
C7 C8 C9 N1 1.4(3) . . . . ?
C7 C8 C9 C10 -177.49(19) . . . . ?
C18 N2 C10 C11 1.6(3) . . . . ?
Ag N2 C10 C11 -176.77(15) . . . . ?
C18 N2 C10 C9 -177.82(18) . . . . ?
Ag N2 C10 C9 3.8(2) . . . . ?
N1 C9 C10 N2 -0.2(3) . . . . ?
C8 C9 C10 N2 178.71(19) . . . . ?
N1 C9 C10 C11 -179.66(19) . . . . ?
C8 C9 C10 C11 -0.7(3) . . . . ?
N2 C10 C11 C12 -0.6(3) . . . . ?
C9 C10 C11 C12 178.9(2) . . . . ?
C10 C11 C12 C13 -1.0(3) . . . . ?
C10 C11 C12 C21 177.9(2) . . . . ?
C11 C12 C13 C18 1.3(3) . . . . ?
C21 C12 C13 C18 -177.4(2) . . . . ?
C11 C12 C13 C14 -179.8(2) . . . . ?
C21 C12 C13 C14 1.4(4) . . . . ?
C12 C13 C14 C15 -177.9(3) . . . . ?
C18 C13 C14 C15 0.9(4) . . . . ?
C13 C14 C15 C16 -1.0(5) . . . . ?
C14 C15 C16 C17 0.1(5) . . . . ?
C15 C16 C17 C18 0.9(5) . . . . ?
C10 N2 C18 C17 179.5(2) . . . . ?
Ag N2 C18 C17 -2.2(3) . . . . ?
C10 N2 C18 C13 -1.2(3) . . . . ?
Ag N2 C18 C13 177.12(16) . . . . ?
C16 C17 C18 N2 178.4(3) . . . . ?
C16 C17 C18 C13 -0.9(4) . . . . ?
C12 C13 C18 N2 -0.3(3) . . . . ?
C14 C13 C18 N2 -179.3(2) . . . . ?
C12 C13 C18 C17 179.0(2) . . . . ?
C14 C13 C18 C17 0.0(3) . . . . ?
C8 C7 C19 O2 -128.3(2) . . . . ?
C6 C7 C19 O2 49.0(3) . . . . ?
C8 C7 C19 O3 51.1(3) . . . . ?
C6 C7 C19 O3 -131.6(2) . . . . ?
C11 C12 C21 O4 169.7(3) . . . . ?
C13 C12 C21 O4 -11.5(5) . . . . ?
C11 C12 C21 O5 -11.0(3) . . . . ?
C13 C12 C21 O5 167.7(2) . . . . ?
F1 C23 S1 O8 62.8(4) . . . . ?
F3 C23 S1 O8 -59.9(4) . . . . ?
F2 C23 S1 O8 -178.1(3) . . . . ?
F1 C23 S1 O6 -58.1(5) . . . . ?
F3 C23 S1 O6 179.2(4) . . . . ?
F2 C23 S1 O6 61.1(4) . . . . ?
F1 C23 S1 O7 -179.4(4) . . . . ?
F3 C23 S1 O7 57.9(4) . . . . ?
F2 C23 S1 O7 -60.3(4) . . . . ?
O2 C19 O3 C20 2.9(4) . . . . ?
C7 C19 O3 C20 -176.6(2) . . . . ?
O4 C21 O5 C22 -0.7(5) . . . . ?
C12 C21 O5 C22 -180.0(3) . . . . ?

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
O1 H1W O7 0.92 1.89 2.757(3) 156.6 1_654
O1 H2W O8 0.89 1.92 2.809(3) 171.3 1_554

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        28.28
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.357
_refine_diff_density_min         -0.418
_refine_diff_density_rms         0.062

#===END