# Electronic Supplementary Material for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350

_publ_contact_author_name        'Hongyun Zhang'
_publ_contact_author_email       WZHY917@ZZU.EDU.CN

_publ_section_title              
;
Counteranion's Effects on the Structures of
Supramolecular Silver Coordination Compounds of One Asymmetric
and One Biting Organic Ligands
;
loop_
_publ_author_name
'Hongyun Zhang'
'Lu-Yan Meng'
'Yunyin Niu'
'Caoyuan Niu'
'Xin-Sheng Wan'
'Ben-Lai Wu'
'Xianfu Zheng'

# Attachment 'all.cif'

data_1
_database_code_depnum_ccdc_archive 'CCDC 706593'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C75 H66 Ag4 As4 F24 N18 O9'
_chemical_formula_weight         2550.59

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'
As As 0.0499 2.0058 '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           trigonal
_symmetry_space_group_name_H-M   R-3c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   25.9571(7)
_cell_length_b                   25.9571(7)
_cell_length_c                   22.5629(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     13165.5(9)
_cell_formula_units_Z            6
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.02
_cell_measurement_theta_max      25.50

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.26
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.928
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7482
_exptl_absorpt_coefficient_mu    2.493
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3808
_exptl_absorpt_correction_T_max  0.5634
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23848
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0116
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.02
_diffrn_reflns_theta_max         25.50
_reflns_number_total             2740
_reflns_number_gt                2421
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of 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. The bond lengths C13-O2
and C5-H5 were restrained to target values of 1.35(1) and 0.95(2) Å,
respectively.
;

_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)+(0.0670P)²+37.9821P] 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         2740
_refine_ls_number_parameters     211
_refine_ls_number_restraints     14
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.1060
_refine_ls_wR_factor_gt          0.1022
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.3333 0.849046(16) -0.0833 0.05087(16) Uani 1 2 d S . .
Ag2 Ag 0.3333 0.6667 0.4167 0.0502(2) Uani 1 6 d S . .
C7 C 0.26386(13) 0.77401(13) 0.22637(12) 0.0325(6) Uani 1 1 d . . .
H7 H 0.2885 0.7594 0.2119 0.039 Uiso 1 1 calc R . .
C3 C 0.26222(14) 0.81080(13) 0.12369(12) 0.0321(6) Uani 1 1 d . . .
C10 C 0.20540(15) 0.81941(14) 0.20841(13) 0.0366(7) Uani 1 1 d . . .
C11 C 0.27299(14) 0.74241(15) 0.32599(14) 0.0369(7) Uani 1 1 d . . .
C9 C 0.21314(14) 0.79042(14) 0.30911(12) 0.0356(7) Uani 1 1 d . . .
C6 C 0.24218(14) 0.80015(13) 0.18689(12) 0.0330(6) Uani 1 1 d . . .
C8 C 0.25033(13) 0.76902(13) 0.28581(12) 0.0322(6) Uani 1 1 d . . .
N3 N 0.19230(12) 0.81374(12) 0.26701(11) 0.0374(6) Uani 1 1 d . . .
H1 H 0.1682 0.8262 0.2793 0.045 Uiso 1 1 calc R . .
O1 O 0.19840(12) 0.78835(12) 0.36166(9) 0.0492(6) Uani 1 1 d . . .
C2 C 0.30148(15) 0.86771(14) 0.10392(14) 0.0398(7) Uani 1 1 d . . .
H2 H 0.3158 0.9005 0.1304 0.048 Uiso 1 1 calc R . .
C4 C 0.24307(16) 0.76490(14) 0.08284(13) 0.0398(7) Uani 1 1 d . . .
H4 H 0.2156 0.7252 0.0942 0.048 Uiso 1 1 calc R . .
C5 C 0.26436(16) 0.77748(15) 0.02533(13) 0.0409(7) Uani 1 1 d D . .
H5 H 0.2514 0.7455 -0.0020 0.049 Uiso 1 1 calc RD . .
C1 C 0.31973(14) 0.87667(15) 0.04548(14) 0.0400(7) Uani 1 1 d . . .
H1A H 0.3460 0.9161 0.0324 0.048 Uiso 1 1 calc R . .
N2 N 0.29070(15) 0.72015(16) 0.35710(13) 0.0532(8) Uani 1 1 d . . .
N1 N 0.30202(12) 0.83218(12) 0.00667(11) 0.0363(6) Uani 1 1 d . . .
C12 C 0.1757(2) 0.84486(19) 0.17205(15) 0.0539(9) Uani 1 1 d . . .
H12A H 0.1474 0.8498 0.1967 0.081 Uiso 1 1 calc R . .
H12B H 0.1545 0.8179 0.1391 0.081 Uiso 1 1 calc R . .
H12C H 0.2057 0.8836 0.1564 0.081 Uiso 1 1 calc R . .
As1 As 0.3333 0.6667 0.1667 0.0379(2) Uani 1 6 d S . .
As2 As 0.3333 0.01620(3) 0.9167 0.0960(3) Uani 1 2 d S . .
F1 F 0.31218(14) 0.70675(13) 0.12387(14) 0.0868(9) Uani 1 1 d . . .
F2 F 0.2784(4) 0.0308(4) 0.9150(4) 0.256(5) Uani 1 1 d . . .
F3 F 0.3839(3) -0.0040(4) 0.9169(5) 0.257(5) Uani 1 1 d . . .
F4 F 0.3274(3) 0.0143(5) 0.9887(3) 0.271(5) Uani 1 1 d . . .
O2 O 0.4348(7) 0.1014(7) 0.0833 0.268(7) Uani 1 2 d SDU . .
C13 C 0.4512(12) 0.1366(10) 0.0338(9) 0.189(9) Uani 0.50 1 d PDU . .
H13A H 0.4211 0.1477 0.0249 0.284 Uiso 0.50 1 calc PR . .
H13B H 0.4548 0.1147 0.0002 0.284 Uiso 0.50 1 calc PR . .
H13C H 0.4896 0.1726 0.0408 0.284 Uiso 0.50 1 calc PR . .


_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 N1 2.149(2) 12_554 ?
Ag1 N1 2.150(2) . ?
Ag2 N2 2.548(3) 10_455 ?
Ag2 N2 2.548(3) . ?
Ag2 N2 2.548(3) 2_665 ?
Ag2 N2 2.548(3) 3_565 ?
Ag2 N2 2.549(3) 11_565 ?
Ag2 N2 2.549(3) 12 ?
C7 C8 1.376(4) . ?
C7 C6 1.397(4) . ?
C7 H7 0.9500 . ?
C3 C2 1.384(4) . ?
C3 C4 1.387(4) . ?
C3 C6 1.496(4) . ?
C10 N3 1.355(4) . ?
C10 C6 1.369(4) . ?
C10 C12 1.487(5) . ?
C11 N2 1.142(4) . ?
C11 C8 1.432(4) . ?
C9 O1 1.239(4) . ?
C9 N3 1.375(4) . ?
C9 C8 1.433(4) . ?
N3 H1 0.8800 . ?
C2 C1 1.381(4) . ?
C2 H2 0.9500 . ?
C4 C5 1.384(4) . ?
C4 H4 0.9500 . ?
C5 N1 1.327(4) . ?
C5 H5 0.9500 . ?
C1 N1 1.335(4) . ?
C1 H1A 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
As1 F1 1.699(2) 25_565 ?
As1 F1 1.699(2) . ?
As1 F1 1.699(2) 2_665 ?
As1 F1 1.699(2) 3_565 ?
As1 F1 1.699(2) 26_455 ?
As1 F1 1.699(2) 27 ?
As2 F4 1.631(7) 12_556 ?
As2 F4 1.631(7) . ?
As2 F3 1.639(6) 12_556 ?
As2 F3 1.639(6) . ?
As2 F2 1.649(6) . ?
As2 F2 1.649(6) 12_556 ?
O2 C13 1.370(10) . ?
O2 C13 1.370(10) 16_544 ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?

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 Ag1 N1 178.33(14) 12_554 . ?
N2 Ag2 N2 173.66(16) 10_455 . ?
N2 Ag2 N2 90.08(15) 10_455 2_665 ?
N2 Ag2 N2 94.75(10) . 2_665 ?
N2 Ag2 N2 80.74(16) 10_455 3_565 ?
N2 Ag2 N2 94.75(10) . 3_565 ?
N2 Ag2 N2 94.75(10) 2_665 3_565 ?
N2 Ag2 N2 94.75(10) 10_455 11_565 ?
N2 Ag2 N2 90.08(15) . 11_565 ?
N2 Ag2 N2 80.74(16) 2_665 11_565 ?
N2 Ag2 N2 173.67(15) 3_565 11_565 ?
N2 Ag2 N2 94.75(10) 10_455 12 ?
N2 Ag2 N2 80.74(16) . 12 ?
N2 Ag2 N2 173.66(15) 2_665 12 ?
N2 Ag2 N2 90.08(15) 3_565 12 ?
N2 Ag2 N2 94.75(10) 11_565 12 ?
C8 C7 C6 121.4(3) . . ?
C8 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C2 C3 C4 117.3(3) . . ?
C2 C3 C6 120.5(3) . . ?
C4 C3 C6 122.2(3) . . ?
N3 C10 C6 119.3(3) . . ?
N3 C10 C12 115.4(3) . . ?
C6 C10 C12 125.2(3) . . ?
N2 C11 C8 178.4(4) . . ?
O1 C9 N3 120.0(3) . . ?
O1 C9 C8 126.0(3) . . ?
N3 C9 C8 114.0(2) . . ?
C10 C6 C7 118.3(3) . . ?
C10 C6 C3 120.8(3) . . ?
C7 C6 C3 120.7(3) . . ?
C7 C8 C11 121.0(3) . . ?
C7 C8 C9 120.7(3) . . ?
C11 C8 C9 118.2(3) . . ?
C10 N3 C9 126.1(3) . . ?
C10 N3 H1 116.9 . . ?
C9 N3 H1 116.9 . . ?
C1 C2 C3 119.7(3) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C5 C4 C3 119.4(3) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
N1 C5 C4 122.9(3) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
N1 C1 C2 122.7(3) . . ?
N1 C1 H1A 118.7 . . ?
C2 C1 H1A 118.7 . . ?
C11 N2 Ag2 173.9(3) . . ?
C5 N1 C1 117.9(3) . . ?
C5 N1 Ag1 121.3(2) . . ?
C1 N1 Ag1 120.8(2) . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
F1 As1 F1 179.996(1) 25_565 . ?
F1 As1 F1 89.11(16) 25_565 2_665 ?
F1 As1 F1 90.89(16) . 2_665 ?
F1 As1 F1 89.11(16) 25_565 3_565 ?
F1 As1 F1 90.89(16) . 3_565 ?
F1 As1 F1 90.89(16) 2_665 3_565 ?
F1 As1 F1 90.89(16) 25_565 26_455 ?
F1 As1 F1 89.11(16) . 26_455 ?
F1 As1 F1 180.00(18) 2_665 26_455 ?
F1 As1 F1 89.11(16) 3_565 26_455 ?
F1 As1 F1 90.89(16) 25_565 27 ?
F1 As1 F1 89.11(16) . 27 ?
F1 As1 F1 89.11(16) 2_665 27 ?
F1 As1 F1 179.997(1) 3_565 27 ?
F1 As1 F1 90.89(16) 26_455 27 ?
F4 As2 F4 178.1(9) 12_556 . ?
F4 As2 F3 93.8(6) 12_556 12_556 ?
F4 As2 F3 87.6(5) . 12_556 ?
F4 As2 F3 87.6(5) 12_556 . ?
F4 As2 F3 93.8(6) . . ?
F3 As2 F3 87.9(5) 12_556 . ?
F4 As2 F2 91.6(5) 12_556 . ?
F4 As2 F2 87.1(4) . . ?
F3 As2 F2 87.5(4) 12_556 . ?
F3 As2 F2 175.3(5) . . ?
F4 As2 F2 87.1(4) 12_556 12_556 ?
F4 As2 F2 91.6(5) . 12_556 ?
F3 As2 F2 175.3(5) 12_556 12_556 ?
F3 As2 F2 87.5(4) . 12_556 ?
F2 As2 F2 97.1(7) . 12_556 ?
C13 O2 C13 121(3) . 16_544 ?
O2 C13 H13A 109.5 . . ?
O2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 C10 C6 C7 1.4(5) . . . . ?
C12 C10 C6 C7 -176.2(3) . . . . ?
N3 C10 C6 C3 -174.2(3) . . . . ?
C12 C10 C6 C3 8.1(5) . . . . ?
C8 C7 C6 C10 -1.9(5) . . . . ?
C8 C7 C6 C3 173.8(3) . . . . ?
C2 C3 C6 C10 69.5(4) . . . . ?
C4 C3 C6 C10 -111.0(4) . . . . ?
C2 C3 C6 C7 -106.0(4) . . . . ?
C4 C3 C6 C7 73.5(4) . . . . ?
C6 C7 C8 C11 -179.7(3) . . . . ?
C6 C7 C8 C9 0.3(5) . . . . ?
N2 C11 C8 C7 -45(13) . . . . ?
N2 C11 C8 C9 135(13) . . . . ?
O1 C9 C8 C7 -179.7(3) . . . . ?
N3 C9 C8 C7 1.7(4) . . . . ?
O1 C9 C8 C11 0.2(5) . . . . ?
N3 C9 C8 C11 -178.4(3) . . . . ?
C6 C10 N3 C9 0.7(5) . . . . ?
C12 C10 N3 C9 178.6(3) . . . . ?
O1 C9 N3 C10 179.1(3) . . . . ?
C8 C9 N3 C10 -2.2(5) . . . . ?
C4 C3 C2 C1 0.1(5) . . . . ?
C6 C3 C2 C1 179.7(3) . . . . ?
C2 C3 C4 C5 1.1(5) . . . . ?
C6 C3 C4 C5 -178.5(3) . . . . ?
C3 C4 C5 N1 -1.1(5) . . . . ?
C3 C2 C1 N1 -1.5(5) . . . . ?
C8 C11 N2 Ag2 33(15) . . . . ?
N2 Ag2 N2 C11 92(3) 10_455 . . . ?
N2 Ag2 N2 C11 -48(3) 2_665 . . . ?
N2 Ag2 N2 C11 47(3) 3_565 . . . ?
N2 Ag2 N2 C11 -129(3) 11_565 . . . ?
N2 Ag2 N2 C11 137(3) 12 . . . ?
C4 C5 N1 C1 -0.1(5) . . . . ?
C4 C5 N1 Ag1 -179.8(3) . . . . ?
C2 C1 N1 C5 1.4(5) . . . . ?
C2 C1 N1 Ag1 -178.9(3) . . . . ?
N1 Ag1 N1 C5 -35.7(2) 12_554 . . . ?
N1 Ag1 N1 C1 144.7(2) 12_554 . . . ?

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 H1 O1 0.88 2.02 2.874(3) 163.0 31_565

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.784
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.085

data_2
_database_code_depnum_ccdc_archive 'CCDC 706594'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C144 H108 Ag8 F48 N36 O12 Sb8'
_chemical_formula_weight         5283.62

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   R-3c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'y, x, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'y+2/3, x+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'y+1/3, x+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-y, -x, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-y+2/3, -x+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-y+1/3, -x+2/3, z+1/6'

_cell_length_a                   26.315(4)
_cell_length_b                   26.315(4)
_cell_length_c                   22.502(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     13494(4)
_cell_formula_units_Z            3
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.68
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7608
_exptl_absorpt_coefficient_mu    2.142
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.444
_exptl_absorpt_correction_T_max  0.638
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21868
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0129
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.68
_diffrn_reflns_theta_max         25.00
_reflns_number_total             2500
_reflns_number_gt                2148
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of 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)+(0.0805P)²+32.1937P] 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         2500
_refine_ls_number_parameters     196
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0416
_refine_ls_wR_factor_ref         0.1184
_refine_ls_wR_factor_gt          0.1115
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.046
_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
Sb1 Sb 1.0000 1.0000 1.0000 0.0510(2) Uani 1 6 d S . .
Sb2 Sb 1.0000 0.35151(3) 0.7500 0.1155(4) Uani 1 2 d S . .
Ag1 Ag 0.84738(2) 0.3333 1.0833 0.0609(2) Uani 1 2 d S . .
Ag2 Ag 0.6667 0.3333 0.5833 0.0770(3) Uani 1 6 d S . .
F1 F 0.9562(2) 0.93351(19) 0.9547(2) 0.1174(15) Uani 1 1 d . . .
F2 F 0.9337(6) 0.3611(6) 0.7417(6) 0.235(4) Uani 1 1 d U . .
F3 F 1.0100(7) 0.3445(7) 0.6701(10) 0.283(6) Uani 1 1 d U . .
F4 F 1.0514(6) 0.3263(7) 0.7507(7) 0.263(5) Uani 1 1 d U . .
O1 O 0.78905(18) 0.19866(17) 0.63750(12) 0.0641(9) Uani 1 1 d . . .
N1 N 0.83105(15) 0.30145(16) 0.99350(13) 0.0442(8) Uani 1 1 d . . .
N2 N 0.81377(17) 0.19257(16) 0.73299(15) 0.0497(8) Uani 1 1 d . . .
H2 H 0.8255 0.1683 0.7207 0.060 Uiso 1 1 calc R . .
N3 N 0.7210(2) 0.2897(2) 0.6427(2) 0.0693(11) Uani 1 1 d . . .
C1 C 0.7771(2) 0.2629(2) 0.97497(18) 0.0525(10) Uani 1 1 d . . .
H1 H 0.7455 0.2495 1.0025 0.063 Uiso 1 1 calc R . .
C2 C 0.8747(2) 0.32012(19) 0.95511(19) 0.0507(10) Uani 1 1 d . . .
H2A H 0.9134 0.3472 0.9681 0.061 Uiso 1 1 calc R . .
C3 C 0.76511(18) 0.2418(2) 0.91761(17) 0.0492(10) Uani 1 1 d . . .
H3 H 0.7262 0.2139 0.9063 0.059 Uiso 1 1 calc R . .
C4 C 0.86611(19) 0.30149(19) 0.89628(18) 0.0493(10) Uani 1 1 d . . .
H4 H 0.8984 0.3161 0.8697 0.059 Uiso 1 1 calc R . .
C5 C 0.81038(17) 0.26161(18) 0.87655(16) 0.0407(8) Uani 1 1 d . . .
C6 C 0.80061(17) 0.24224(19) 0.81293(16) 0.0426(8) Uani 1 1 d . . .
C7 C 0.77474(18) 0.26357(18) 0.77328(17) 0.0440(8) Uani 1 1 d . . .
H7 H 0.7604 0.2879 0.7879 0.053 Uiso 1 1 calc R . .
C8 C 0.76952(18) 0.25017(18) 0.71380(17) 0.0455(9) Uani 1 1 d . . .
C9 C 0.7908(2) 0.21311(19) 0.69089(17) 0.0486(10) Uani 1 1 d . . .
C10 C 0.8201(2) 0.2059(2) 0.79124(17) 0.0475(9) Uani 1 1 d . . .
C11 C 0.8452(3) 0.1770(3) 0.8279(2) 0.0665(13) Uani 1 1 d . . .
H11A H 0.8182 0.1555 0.8606 0.100 Uiso 1 1 calc R . .
H11B H 0.8830 0.2067 0.8442 0.100 Uiso 1 1 calc R . .
H11C H 0.8508 0.1495 0.8032 0.100 Uiso 1 1 calc R . .
C12 C 0.7431(2) 0.27206(19) 0.67327(18) 0.0507(10) 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
Sb1 F1 1.848(4) . ?
Sb1 F1 1.848(4) 19_777 ?
Sb1 F1 1.848(4) 3_675 ?
Sb1 F1 1.848(4) 20_567 ?
Sb1 F1 1.848(4) 2_765 ?
Sb1 F1 1.848(4) 21_657 ?
Sb2 F4 1.779(14) 5_766 ?
Sb2 F4 1.779(14) . ?
Sb2 F3 1.84(2) . ?
Sb2 F3 1.84(2) 5_766 ?
Sb2 F2 1.894(10) 5_766 ?
Sb2 F2 1.894(10) . ?
Ag1 N1 2.148(3) . ?
Ag1 N1 2.148(3) 16_556 ?
Ag2 N3 2.605(5) . ?
Ag2 N3 2.605(5) 17_655 ?
Ag2 N3 2.605(5) 16 ?
Ag2 N3 2.605(5) 18_545 ?
Ag2 N3 2.605(5) 3_665 ?
Ag2 N3 2.605(5) 2_655 ?
O1 C9 1.254(5) . ?
N1 C2 1.321(6) . ?
N1 C1 1.334(6) . ?
N2 C10 1.346(5) . ?
N2 C9 1.372(6) . ?
N3 C12 1.140(7) . ?
C1 C3 1.378(6) . ?
C2 C4 1.390(6) . ?
C3 C5 1.387(6) . ?
C4 C5 1.382(6) . ?
C5 C6 1.498(5) . ?
C6 C10 1.380(6) . ?
C6 C7 1.399(6) . ?
C7 C8 1.373(5) . ?
C8 C12 1.430(6) . ?
C8 C9 1.441(6) . ?
C10 C11 1.484(7) . ?

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
F1 Sb1 F1 180.000(2) . 19_777 ?
F1 Sb1 F1 92.4(2) . 3_675 ?
F1 Sb1 F1 87.6(2) 19_777 3_675 ?
F1 Sb1 F1 87.6(2) . 20_567 ?
F1 Sb1 F1 92.4(2) 19_777 20_567 ?
F1 Sb1 F1 87.6(2) 3_675 20_567 ?
F1 Sb1 F1 92.4(2) . 2_765 ?
F1 Sb1 F1 87.6(2) 19_777 2_765 ?
F1 Sb1 F1 92.4(2) 3_675 2_765 ?
F1 Sb1 F1 180.000(2) 20_567 2_765 ?
F1 Sb1 F1 87.6(2) . 21_657 ?
F1 Sb1 F1 92.4(2) 19_777 21_657 ?
F1 Sb1 F1 180.0(3) 3_675 21_657 ?
F1 Sb1 F1 92.4(2) 20_567 21_657 ?
F1 Sb1 F1 87.6(2) 2_765 21_657 ?
F4 Sb2 F4 82.4(10) 5_766 . ?
F4 Sb2 F3 86.8(7) 5_766 . ?
F4 Sb2 F3 78.3(8) . . ?
F4 Sb2 F3 78.3(8) 5_766 5_766 ?
F4 Sb2 F3 86.8(7) . 5_766 ?
F3 Sb2 F3 160.2(13) . 5_766 ?
F4 Sb2 F2 166.8(6) 5_766 5_766 ?
F4 Sb2 F2 85.5(7) . 5_766 ?
F3 Sb2 F2 95.7(6) . 5_766 ?
F3 Sb2 F2 96.0(7) 5_766 5_766 ?
F4 Sb2 F2 85.5(7) 5_766 . ?
F4 Sb2 F2 166.8(7) . . ?
F3 Sb2 F2 96.0(7) . . ?
F3 Sb2 F2 95.7(6) 5_766 . ?
F2 Sb2 F2 107.1(8) 5_766 . ?
N1 Ag1 N1 179.46(18) . 16_556 ?
N3 Ag2 N3 88.6(2) . 17_655 ?
N3 Ag2 N3 79.5(2) . 16 ?
N3 Ag2 N3 96.09(15) 17_655 16 ?
N3 Ag2 N3 173.8(2) . 18_545 ?
N3 Ag2 N3 96.10(15) 17_655 18_545 ?
N3 Ag2 N3 96.10(15) 16 18_545 ?
N3 Ag2 N3 96.10(15) . 3_665 ?
N3 Ag2 N3 79.5(2) 17_655 3_665 ?
N3 Ag2 N3 173.8(2) 16 3_665 ?
N3 Ag2 N3 88.6(2) 18_545 3_665 ?
N3 Ag2 N3 96.10(15) . 2_655 ?
N3 Ag2 N3 173.8(2) 17_655 2_655 ?
N3 Ag2 N3 88.6(2) 16 2_655 ?
N3 Ag2 N3 79.5(2) 18_545 2_655 ?
N3 Ag2 N3 96.10(15) 3_665 2_655 ?
C2 N1 C1 118.5(3) . . ?
C2 N1 Ag1 120.2(3) . . ?
C1 N1 Ag1 121.3(3) . . ?
C10 N2 C9 126.2(4) . . ?
C12 N3 Ag2 173.6(4) . . ?
N1 C1 C3 122.7(4) . . ?
N1 C2 C4 122.2(4) . . ?
C1 C3 C5 119.5(4) . . ?
C5 C4 C2 119.9(4) . . ?
C4 C5 C3 117.2(4) . . ?
C4 C5 C6 120.1(4) . . ?
C3 C5 C6 122.7(4) . . ?
C10 C6 C7 118.4(3) . . ?
C10 C6 C5 120.9(3) . . ?
C7 C6 C5 120.5(3) . . ?
C8 C7 C6 121.7(4) . . ?
C7 C8 C12 121.6(4) . . ?
C7 C8 C9 120.0(4) . . ?
C12 C8 C9 118.4(3) . . ?
O1 C9 N2 119.9(4) . . ?
O1 C9 C8 125.4(4) . . ?
N2 C9 C8 114.6(3) . . ?
N2 C10 C6 119.1(4) . . ?
N2 C10 C11 115.9(4) . . ?
C6 C10 C11 125.0(3) . . ?
N3 C12 C8 177.5(5) . . ?

_diffrn_measured_fraction_theta_max 0.943
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.943
_refine_diff_density_max         1.265
_refine_diff_density_min         -0.900
_refine_diff_density_rms         0.097

data_3
_database_code_depnum_ccdc_archive 'CCDC 706595'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H18 Ag N7 O5'
_chemical_formula_weight         592.32

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   c2/c

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

_cell_length_a                   25.012(3)
_cell_length_b                   6.9639(8)
_cell_length_c                   15.0061(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 116.001(2)
_cell_angle_gamma                90.00
_cell_volume                     2349.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.76
_cell_measurement_theta_max      25.49

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1192
_exptl_absorpt_coefficient_mu    0.910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6111
_exptl_absorpt_correction_T_max  0.9474
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6295
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0238
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.76
_diffrn_reflns_theta_max         25.49
_reflns_number_total             2181
_reflns_number_gt                2036
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of 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. The bond lengths N2-H10
and N4-O2 were restrained to target values of 0.88(1) and 1.25(1) Å,
respectively.
;

_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)+(0.0256P)²+2.9545P] where P=(Fo²+2Fc²)/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     SHELXL
_refine_ls_extinction_coef       0.00181(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2181
_refine_ls_number_parameters     188
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0231
_refine_ls_wR_factor_ref         0.0581
_refine_ls_wR_factor_gt          0.0563
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_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
O2 O -0.0203(15) 0.151(2) -0.249(4) 0.071(8) Uani 0.25 1 d PD . .
O2' O -0.0037(15) 0.168(3) -0.239(2) 0.045(8) Uani 0.25 1 d P . .
Ag1 Ag 0.0000 0.53979(3) -0.2500 0.04272(11) Uani 1 2 d S . .
O1 O 0.22474(7) 0.4723(2) 0.53074(11) 0.0462(4) Uani 1 1 d . . .
O3 O -0.03731(12) -0.1022(3) -0.2332(2) 0.0885(7) Uani 1 1 d . . .
N1 N 0.04604(8) 0.5178(2) -0.08858(13) 0.0365(4) Uani 1 1 d . . .
N2 N 0.20363(8) 0.3468(3) 0.37935(13) 0.0408(4) Uani 1 1 d D . .
N3 N 0.15651(10) 0.9370(3) 0.48833(17) 0.0569(5) Uani 1 1 d . . .
N4 N 0.0000 -0.0131(4) -0.2500 0.0549(8) Uani 1 2 d SD . .
C1 C 0.04305(9) 0.3630(3) -0.03791(15) 0.0378(5) Uani 1 1 d . . .
H1 H 0.0196 0.2571 -0.0740 0.045 Uiso 1 1 calc R . .
C2 C 0.07221(9) 0.3497(3) 0.06367(15) 0.0382(5) Uani 1 1 d . . .
H2 H 0.0683 0.2372 0.0962 0.046 Uiso 1 1 calc R . .
C3 C 0.10735(9) 0.5012(3) 0.11864(15) 0.0352(4) Uani 1 1 d . . .
C4 C 0.10989(9) 0.6628(3) 0.06614(15) 0.0394(5) Uani 1 1 d . . .
H4 H 0.1329 0.7708 0.1004 0.047 Uiso 1 1 calc R . .
C5 C 0.07898(9) 0.6657(3) -0.03551(16) 0.0406(5) Uani 1 1 d . . .
H5 H 0.0811 0.7780 -0.0698 0.049 Uiso 1 1 calc R . .
C6 C 0.14015(9) 0.4952(3) 0.22830(15) 0.0368(5) Uani 1 1 d . . .
C7 C 0.17623(9) 0.3436(3) 0.27875(15) 0.0405(5) Uani 1 1 d . . .
C8 C 0.19027(13) 0.1730(4) 0.23273(19) 0.0654(8) Uani 1 1 d . . .
H8A H 0.2298 0.1240 0.2773 0.098 Uiso 1 1 calc R . .
H8B H 0.1898 0.2102 0.1694 0.098 Uiso 1 1 calc R . .
H8C H 0.1605 0.0728 0.2213 0.098 Uiso 1 1 calc R . .
C9 C 0.13570(9) 0.6503(3) 0.28470(15) 0.0373(5) Uani 1 1 d . . .
H9 H 0.1118 0.7576 0.2514 0.045 Uiso 1 1 calc R . .
C10 C 0.16472(9) 0.6514(3) 0.38610(15) 0.0360(4) Uani 1 1 d . . .
C11 C 0.19972(9) 0.4899(3) 0.43968(16) 0.0373(5) Uani 1 1 d . . .
C12 C 0.15991(9) 0.8107(3) 0.44270(16) 0.0410(5) Uani 1 1 d . . .
H10 H 0.2263(9) 0.248(2) 0.4090(16) 0.048(7) Uiso 1 1 d 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
O2 O2' 0.71(4) 2_554 ?
O2 O2 1.03(6) 2_554 ?
O2 N4 1.252(10) . ?
O2' O2' 0.43(3) 2_554 ?
O2' O2 0.71(4) 2_554 ?
O2' N4 1.282(18) . ?
Ag1 N1 2.1843(17) 2_554 ?
Ag1 N1 2.1843(17) . ?
Ag1 O2' 2.596(18) 2_554 ?
O1 C11 1.234(3) . ?
O3 N4 1.235(3) . ?
N1 C1 1.340(3) . ?
N1 C5 1.341(3) . ?
N2 C7 1.357(3) . ?
N2 C11 1.378(3) . ?
N2 H10 0.877(10) . ?
N3 C12 1.141(3) . ?
N4 O3 1.235(3) 2_554 ?
N4 O2 1.252(10) 2_554 ?
N4 O2' 1.282(18) 2_554 ?
C1 C2 1.375(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.390(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.391(3) . ?
C3 C6 1.483(3) . ?
C4 C5 1.375(3) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.380(3) . ?
C6 C9 1.406(3) . ?
C7 C8 1.491(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.369(3) . ?
C9 H9 0.9500 . ?
C10 C12 1.434(3) . ?
C10 C11 1.436(3) . ?

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
O2' O2 O2 15.1(18) 2_554 2_554 ?
O2' O2 N4 76.1(17) 2_554 . ?
O2 O2 N4 65.6(14) 2_554 . ?
O2' O2' O2 30(6) 2_554 2_554 ?
O2' O2' N4 80.3(8) 2_554 . ?
O2 O2' N4 71(2) 2_554 . ?
N1 Ag1 N1 171.98(9) 2_554 . ?
N1 Ag1 O2' 83.0(6) 2_554 2_554 ?
N1 Ag1 O2' 89.0(6) . 2_554 ?
C1 N1 C5 116.97(18) . . ?
C1 N1 Ag1 123.50(14) . . ?
C5 N1 Ag1 119.53(14) . . ?
C7 N2 C11 126.56(18) . . ?
C7 N2 H10 116.8(16) . . ?
C11 N2 H10 116.6(16) . . ?
O3 N4 O3 119.7(3) . 2_554 ?
O3 N4 O2 144.0(16) . 2_554 ?
O3 N4 O2 96.1(15) 2_554 2_554 ?
O3 N4 O2 96.1(15) . . ?
O3 N4 O2 144.0(16) 2_554 . ?
O2 N4 O2 49(3) 2_554 . ?
O3 N4 O2' 128.5(11) . 2_554 ?
O3 N4 O2' 111.6(10) 2_554 2_554 ?
O2 N4 O2' 17.9(14) 2_554 2_554 ?
O2 N4 O2' 32.4(19) . 2_554 ?
O3 N4 O2' 111.6(10) . . ?
O3 N4 O2' 128.5(11) 2_554 . ?
O2 N4 O2' 32.4(19) 2_554 . ?
O2 N4 O2' 17.9(14) . . ?
O2' N4 O2' 19.4(16) 2_554 . ?
N1 C1 C2 123.29(19) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C1 C2 C3 119.81(19) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C4 116.88(19) . . ?
C2 C3 C6 122.37(19) . . ?
C4 C3 C6 120.74(19) . . ?
C5 C4 C3 119.8(2) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
N1 C5 C4 123.2(2) . . ?
N1 C5 H5 118.4 . . ?
C4 C5 H5 118.4 . . ?
C7 C6 C9 117.58(19) . . ?
C7 C6 C3 122.76(19) . . ?
C9 C6 C3 119.65(18) . . ?
N2 C7 C6 119.19(19) . . ?
N2 C7 C8 114.93(19) . . ?
C6 C7 C8 125.9(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C6 122.00(19) . . ?
C10 C9 H9 119.0 . . ?
C6 C9 H9 119.0 . . ?
C9 C10 C12 121.44(19) . . ?
C9 C10 C11 120.93(19) . . ?
C12 C10 C11 117.60(18) . . ?
O1 C11 N2 120.51(19) . . ?
O1 C11 C10 125.9(2) . . ?
N2 C11 C10 113.59(18) . . ?
N3 C12 C10 179.5(3) . . ?

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 Ag1 N1 C1 -22.95(16) 2_554 . . . ?
O2' Ag1 N1 C1 -26.7(6) 2_554 . . . ?
N1 Ag1 N1 C5 157.58(16) 2_554 . . . ?
O2' Ag1 N1 C5 153.9(6) 2_554 . . . ?
O2' O2 N4 O3 -178(5) 2_554 . . . ?
O2 O2 N4 O3 171(5) 2_554 . . . ?
O2' O2 N4 O3 -4(9) 2_554 . . 2_554 ?
O2 O2 N4 O3 -15(9) 2_554 . . 2_554 ?
O2' O2 N4 O2 12(3) 2_554 . . 2_554 ?
O2 O2 N4 O2' -12(3) 2_554 . . 2_554 ?
O2' O2 N4 O2' 32(7) 2_554 . . . ?
O2 O2 N4 O2' 20(4) 2_554 . . . ?
O2' O2' N4 O3 -153(9) 2_554 . . . ?
O2 O2' N4 O3 178(6) 2_554 . . . ?
O2' O2' N4 O3 33(10) 2_554 . . 2_554 ?
O2 O2' N4 O3 3(7) 2_554 . . 2_554 ?
O2' O2' N4 O2 29(7) 2_554 . . 2_554 ?
O2' O2' N4 O2 -121(13) 2_554 . . . ?
O2 O2' N4 O2 -151(7) 2_554 . . . ?
O2 O2' N4 O2' -29(7) 2_554 . . 2_554 ?
C5 N1 C1 C2 -0.7(3) . . . . ?
Ag1 N1 C1 C2 179.85(15) . . . . ?
N1 C1 C2 C3 -0.6(3) . . . . ?
C1 C2 C3 C4 1.3(3) . . . . ?
C1 C2 C3 C6 -179.68(19) . . . . ?
C2 C3 C4 C5 -0.8(3) . . . . ?
C6 C3 C4 C5 -179.78(19) . . . . ?
C1 N1 C5 C4 1.3(3) . . . . ?
Ag1 N1 C5 C4 -179.23(16) . . . . ?
C3 C4 C5 N1 -0.6(3) . . . . ?
C2 C3 C6 C7 50.3(3) . . . . ?
C4 C3 C6 C7 -130.8(2) . . . . ?
C2 C3 C6 C9 -130.8(2) . . . . ?
C4 C3 C6 C9 48.2(3) . . . . ?
C11 N2 C7 C6 -0.3(3) . . . . ?
C11 N2 C7 C8 177.9(2) . . . . ?
C9 C6 C7 N2 2.6(3) . . . . ?
C3 C6 C7 N2 -178.43(19) . . . . ?
C9 C6 C7 C8 -175.4(2) . . . . ?
C3 C6 C7 C8 3.6(4) . . . . ?
C7 C6 C9 C10 -1.5(3) . . . . ?
C3 C6 C9 C10 179.54(19) . . . . ?
C6 C9 C10 C12 179.86(19) . . . . ?
C6 C9 C10 C11 -2.0(3) . . . . ?
C7 N2 C11 O1 176.7(2) . . . . ?
C7 N2 C11 C10 -3.0(3) . . . . ?
C9 C10 C11 O1 -175.7(2) . . . . ?
C12 C10 C11 O1 2.5(3) . . . . ?
C9 C10 C11 N2 4.1(3) . . . . ?
C12 C10 C11 N2 -177.76(18) . . . . ?
C9 C10 C12 N3 -155(100) . . . . ?
C11 C10 C12 N3 27(32) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.49
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.667
_refine_diff_density_min         -0.439
_refine_diff_density_rms         0.053

data_4
_database_code_depnum_ccdc_archive 'CCDC 706596'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H22 Ag B F4 N6 O3'
_chemical_formula_weight         649.17

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'
B B 0.0013 0.0007 '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'

_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                   9.9336(7)
_cell_length_b                   10.1696(7)
_cell_length_c                   13.7544(9)
_cell_angle_alpha                103.3460(10)
_cell_angle_beta                 91.1900(10)
_cell_angle_gamma                97.5140(10)
_cell_volume                     1338.47(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      25.50

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             652
_exptl_absorpt_coefficient_mu    0.820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6750
_exptl_absorpt_correction_T_max  0.8466
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7441
_diffrn_reflns_av_R_equivalents  0.0109
_diffrn_reflns_av_sigmaI/netI    0.0182
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.27
_diffrn_reflns_theta_max         25.50
_reflns_number_total             4901
_reflns_number_gt                4486
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of 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. The bond lengths N2-H26
and N5-H27 were restrained to target value of 0.90(1) Å.
;

_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)+(0.0513P)²+2.3268P] where P=(Fo²+2Fc²)/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         4901
_refine_ls_number_parameters     373
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0379
_refine_ls_wR_factor_ref         0.1022
_refine_ls_wR_factor_gt          0.0996
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_restrained_S_all      0.962
_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
Ag1 Ag 0.10553(3) 0.17943(3) 0.09987(2) 0.05002(12) Uani 1 1 d . . .
N1 N 0.2226(3) 0.2637(3) -0.0053(2) 0.0435(6) Uani 1 1 d . . .
N2 N 0.5325(3) 0.5583(3) -0.3276(2) 0.0434(6) Uani 1 1 d D . .
N3 N 0.9653(3) 0.4537(5) -0.2404(4) 0.0837(12) Uani 1 1 d . . .
N4 N 0.0013(3) 0.0929(3) 0.2095(2) 0.0455(6) Uani 1 1 d . . .
N5 N -0.3355(3) -0.2434(3) 0.4952(2) 0.0435(6) Uani 1 1 d D . .
N6 N -0.7615(3) -0.1325(4) 0.3967(3) 0.0714(10) Uani 1 1 d . . .
O1 O 0.7465(2) 0.6097(3) -0.3758(2) 0.0657(8) Uani 1 1 d . . .
O2 O -0.5535(2) -0.3002(3) 0.5338(2) 0.0585(7) Uani 1 1 d . . .
O3 O 0.5292(6) 0.1043(8) 0.2177(5) 0.160(2) Uani 1 1 d . . .
H3 H 0.5655 0.1240 0.1673 0.241 Uiso 1 1 calc R . .
B1 B 0.7746(5) 0.1962(5) 0.0083(4) 0.0594(11) Uani 1 1 d . . .
F1 F 0.8273(3) 0.0757(2) -0.0041(2) 0.0762(7) Uani 1 1 d . . .
F2 F 0.8715(4) 0.2956(3) 0.0651(4) 0.1406(17) Uani 1 1 d . . .
F3 F 0.7527(4) 0.2293(4) -0.0775(3) 0.1153(12) Uani 1 1 d . . .
F4 F 0.6637(4) 0.1992(5) 0.0592(4) 0.1564(19) Uani 1 1 d . . .
C1 C 0.2004(3) 0.3802(3) -0.0287(3) 0.0466(8) Uani 1 1 d . . .
H1 H 0.1265 0.4234 -0.0003 0.056 Uiso 1 1 calc R . .
C2 C 0.2793(3) 0.4401(3) -0.0916(3) 0.0446(8) Uani 1 1 d . . .
H2 H 0.2598 0.5232 -0.1053 0.053 Uiso 1 1 calc R . .
C3 C 0.3881(3) 0.3795(3) -0.1354(2) 0.0348(6) Uani 1 1 d . . .
C4 C 0.4092(3) 0.2576(3) -0.1118(2) 0.0415(7) Uani 1 1 d . . .
H4 H 0.4814 0.2112 -0.1399 0.050 Uiso 1 1 calc R . .
C5 C 0.3259(3) 0.2042(3) -0.0478(3) 0.0459(8) Uani 1 1 d . . .
H5 H 0.3426 0.1208 -0.0330 0.055 Uiso 1 1 calc R . .
C6 C 0.4807(3) 0.4396(3) -0.2014(2) 0.0347(6) Uani 1 1 d . . .
C7 C 0.6202(3) 0.4270(3) -0.1953(2) 0.0390(7) Uani 1 1 d . . .
H7 H 0.6511 0.3792 -0.1493 0.047 Uiso 1 1 calc R . .
C8 C 0.7124(3) 0.4806(3) -0.2526(2) 0.0415(7) Uani 1 1 d . . .
C9 C 0.6700(3) 0.5536(4) -0.3232(3) 0.0457(8) Uani 1 1 d . . .
C10 C 0.2959(3) 0.5278(4) -0.2935(3) 0.0483(8) Uani 1 1 d . . .
H10A H 0.2768 0.6139 -0.2505 0.072 Uiso 1 1 calc R . .
H10B H 0.2323 0.4521 -0.2810 0.072 Uiso 1 1 calc R . .
H10C H 0.2852 0.5312 -0.3638 0.072 Uiso 1 1 calc R . .
C11 C 0.4392(3) 0.5066(3) -0.2708(2) 0.0366(6) Uani 1 1 d . . .
C12 C 0.8539(4) 0.4663(4) -0.2461(3) 0.0538(9) Uani 1 1 d . . .
C13 C 0.0064(3) -0.0369(4) 0.2127(3) 0.0477(8) Uani 1 1 d . . .
H13 H 0.0715 -0.0841 0.1746 0.057 Uiso 1 1 calc R . .
C14 C -0.0777(3) -0.1053(4) 0.2682(3) 0.0451(7) Uani 1 1 d . . .
H14 H -0.0702 -0.1975 0.2682 0.054 Uiso 1 1 calc R . .
C15 C -0.1741(3) -0.0383(3) 0.3245(2) 0.0368(6) Uani 1 1 d . . .
C16 C -0.1772(3) 0.0967(3) 0.3228(3) 0.0439(7) Uani 1 1 d . . .
H16 H -0.2403 0.1468 0.3611 0.053 Uiso 1 1 calc R . .
C17 C -0.0887(3) 0.1587(4) 0.2654(3) 0.0486(8) Uani 1 1 d . . .
H17 H -0.0920 0.2518 0.2657 0.058 Uiso 1 1 calc R . .
C18 C -0.2735(3) -0.1085(3) 0.3808(2) 0.0371(6) Uani 1 1 d . . .
C19 C -0.2371(3) -0.1821(3) 0.4471(2) 0.0398(7) Uani 1 1 d . . .
C20 C -0.4122(3) -0.0973(3) 0.3692(2) 0.0390(7) Uani 1 1 d . . .
H20 H -0.4391 -0.0443 0.3256 0.047 Uiso 1 1 calc R . .
C21 C -0.5100(3) -0.1602(3) 0.4185(2) 0.0385(7) Uani 1 1 d . . .
C22 C -0.4735(3) -0.2395(3) 0.4861(2) 0.0417(7) Uani 1 1 d . . .
C23 C -0.0948(3) -0.1983(5) 0.4760(3) 0.0589(10) Uani 1 1 d . . .
H23A H -0.0839 -0.1819 0.5490 0.088 Uiso 1 1 calc R . .
H23B H -0.0302 -0.1323 0.4527 0.088 Uiso 1 1 calc R . .
H23C H -0.0775 -0.2910 0.4453 0.088 Uiso 1 1 calc R . .
C24 C -0.6501(3) -0.1462(4) 0.4064(3) 0.0463(8) Uani 1 1 d . . .
C25 C 0.3997(6) 0.0986(8) 0.2072(6) 0.133(3) Uani 1 1 d . . .
H25A H 0.3591 0.0962 0.2712 0.200 Uiso 1 1 calc R . .
H25B H 0.3628 0.0161 0.1568 0.200 Uiso 1 1 calc R . .
H25C H 0.3783 0.1792 0.1857 0.200 Uiso 1 1 calc R . .
H26 H 0.504(4) 0.601(4) -0.373(2) 0.059(11) Uiso 1 1 d D . .
H27 H -0.310(4) -0.293(3) 0.537(2) 0.059(11) Uiso 1 1 d 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
Ag1 N4 2.134(3) . ?
Ag1 N1 2.135(2) . ?
N1 C5 1.336(4) . ?
N1 C1 1.341(4) . ?
N2 C11 1.356(4) . ?
N2 C9 1.373(4) . ?
N2 H26 0.894(10) . ?
N3 C12 1.133(5) . ?
N4 C17 1.337(4) . ?
N4 C13 1.339(4) . ?
N5 C19 1.356(4) . ?
N5 C22 1.380(4) . ?
N5 H27 0.899(10) . ?
N6 C24 1.142(5) . ?
O1 C9 1.236(4) . ?
O2 C22 1.235(4) . ?
O3 C25 1.284(7) . ?
O3 H3 0.8400 . ?
B1 F4 1.317(6) . ?
B1 F3 1.320(6) . ?
B1 F1 1.371(5) . ?
B1 F2 1.382(6) . ?
C1 C2 1.371(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.393(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.392(4) . ?
C3 C6 1.480(4) . ?
C4 C5 1.374(4) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C11 1.379(4) . ?
C6 C7 1.411(4) . ?
C7 C8 1.362(4) . ?
C7 H7 0.9500 . ?
C8 C12 1.435(5) . ?
C8 C9 1.438(4) . ?
C10 C11 1.504(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C13 C14 1.373(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.392(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.383(4) . ?
C15 C18 1.479(4) . ?
C16 C17 1.381(4) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.377(4) . ?
C18 C20 1.406(4) . ?
C19 C23 1.499(4) . ?
C20 C21 1.370(4) . ?
C20 H20 0.9500 . ?
C21 C24 1.427(5) . ?
C21 C22 1.434(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?

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
N4 Ag1 N1 176.05(10) . . ?
C5 N1 C1 116.9(3) . . ?
C5 N1 Ag1 120.7(2) . . ?
C1 N1 Ag1 122.3(2) . . ?
C11 N2 C9 126.6(3) . . ?
C11 N2 H26 119(3) . . ?
C9 N2 H26 115(3) . . ?
C17 N4 C13 117.4(3) . . ?
C17 N4 Ag1 120.6(2) . . ?
C13 N4 Ag1 121.0(2) . . ?
C19 N5 C22 126.7(3) . . ?
C19 N5 H27 118(3) . . ?
C22 N5 H27 115(3) . . ?
C25 O3 H3 109.5 . . ?
F4 B1 F3 110.0(4) . . ?
F4 B1 F1 113.6(4) . . ?
F3 B1 F1 112.5(4) . . ?
F4 B1 F2 106.1(5) . . ?
F3 B1 F2 108.0(4) . . ?
F1 B1 F2 106.2(4) . . ?
N1 C1 C2 123.2(3) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C1 C2 C3 120.2(3) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C4 C3 C2 116.2(3) . . ?
C4 C3 C6 120.2(3) . . ?
C2 C3 C6 123.6(3) . . ?
C5 C4 C3 120.1(3) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
N1 C5 C4 123.3(3) . . ?
N1 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
C11 C6 C7 117.0(3) . . ?
C11 C6 C3 124.0(3) . . ?
C7 C6 C3 118.9(3) . . ?
C8 C7 C6 122.6(3) . . ?
C8 C7 H7 118.7 . . ?
C6 C7 H7 118.7 . . ?
C7 C8 C12 122.1(3) . . ?
C7 C8 C9 120.5(3) . . ?
C12 C8 C9 117.4(3) . . ?
O1 C9 N2 120.9(3) . . ?
O1 C9 C8 125.2(3) . . ?
N2 C9 C8 113.9(3) . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N2 C11 C6 119.4(3) . . ?
N2 C11 C10 114.0(3) . . ?
C6 C11 C10 126.6(3) . . ?
N3 C12 C8 179.2(4) . . ?
N4 C13 C14 123.4(3) . . ?
N4 C13 H13 118.3 . . ?
C14 C13 H13 118.3 . . ?
C13 C14 C15 119.4(3) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C16 C15 C14 117.2(3) . . ?
C16 C15 C18 120.6(3) . . ?
C14 C15 C18 122.1(3) . . ?
C17 C16 C15 120.0(3) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
N4 C17 C16 122.6(3) . . ?
N4 C17 H17 118.7 . . ?
C16 C17 H17 118.7 . . ?
C19 C18 C20 117.5(3) . . ?
C19 C18 C15 123.3(3) . . ?
C20 C18 C15 119.2(3) . . ?
N5 C19 C18 119.1(3) . . ?
N5 C19 C23 114.8(3) . . ?
C18 C19 C23 126.1(3) . . ?
C21 C20 C18 122.4(3) . . ?
C21 C20 H20 118.8 . . ?
C18 C20 H20 118.8 . . ?
C20 C21 C24 121.4(3) . . ?
C20 C21 C22 120.5(3) . . ?
C24 C21 C22 118.0(3) . . ?
O2 C22 N5 120.7(3) . . ?
O2 C22 C21 125.6(3) . . ?
N5 C22 C21 113.7(3) . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N6 C24 C21 178.7(4) . . ?
O3 C25 H25A 109.5 . . ?
O3 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O3 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Ag1 N1 C5 42.7(17) . . . . ?
N4 Ag1 N1 C1 -134.5(15) . . . . ?
N1 Ag1 N4 C17 128.6(15) . . . . ?
N1 Ag1 N4 C13 -62.8(17) . . . . ?
C5 N1 C1 C2 -1.1(5) . . . . ?
Ag1 N1 C1 C2 176.2(3) . . . . ?
N1 C1 C2 C3 0.5(6) . . . . ?
C1 C2 C3 C4 0.4(5) . . . . ?
C1 C2 C3 C6 -178.0(3) . . . . ?
C2 C3 C4 C5 -0.6(5) . . . . ?
C6 C3 C4 C5 177.8(3) . . . . ?
C1 N1 C5 C4 0.9(5) . . . . ?
Ag1 N1 C5 C4 -176.4(3) . . . . ?
C3 C4 C5 N1 -0.1(6) . . . . ?
C4 C3 C6 C11 143.4(3) . . . . ?
C2 C3 C6 C11 -38.3(5) . . . . ?
C4 C3 C6 C7 -35.6(4) . . . . ?
C2 C3 C6 C7 142.6(3) . . . . ?
C11 C6 C7 C8 1.6(5) . . . . ?
C3 C6 C7 C8 -179.3(3) . . . . ?
C6 C7 C8 C12 -179.6(3) . . . . ?
C6 C7 C8 C9 0.0(5) . . . . ?
C11 N2 C9 O1 -176.8(4) . . . . ?
C11 N2 C9 C8 2.6(5) . . . . ?
C7 C8 C9 O1 177.4(4) . . . . ?
C12 C8 C9 O1 -3.0(6) . . . . ?
C7 C8 C9 N2 -2.0(5) . . . . ?
C12 C8 C9 N2 177.6(3) . . . . ?
C9 N2 C11 C6 -1.1(5) . . . . ?
C9 N2 C11 C10 -179.9(3) . . . . ?
C7 C6 C11 N2 -1.1(5) . . . . ?
C3 C6 C11 N2 179.9(3) . . . . ?
C7 C6 C11 C10 177.5(3) . . . . ?
C3 C6 C11 C10 -1.5(5) . . . . ?
C7 C8 C12 N3 18(40) . . . . ?
C9 C8 C12 N3 -162(40) . . . . ?
C17 N4 C13 C14 1.6(5) . . . . ?
Ag1 N4 C13 C14 -167.4(3) . . . . ?
N4 C13 C14 C15 0.1(6) . . . . ?
C13 C14 C15 C16 -1.4(5) . . . . ?
C13 C14 C15 C18 176.0(3) . . . . ?
C14 C15 C16 C17 1.1(5) . . . . ?
C18 C15 C16 C17 -176.4(3) . . . . ?
C13 N4 C17 C16 -1.9(5) . . . . ?
Ag1 N4 C17 C16 167.1(3) . . . . ?
C15 C16 C17 N4 0.6(5) . . . . ?
C16 C15 C18 C19 -130.5(4) . . . . ?
C14 C15 C18 C19 52.1(5) . . . . ?
C16 C15 C18 C20 47.6(4) . . . . ?
C14 C15 C18 C20 -129.8(3) . . . . ?
C22 N5 C19 C18 -0.7(5) . . . . ?
C22 N5 C19 C23 177.0(3) . . . . ?
C20 C18 C19 N5 2.1(5) . . . . ?
C15 C18 C19 N5 -179.8(3) . . . . ?
C20 C18 C19 C23 -175.4(3) . . . . ?
C15 C18 C19 C23 2.8(6) . . . . ?
C19 C18 C20 C21 -2.2(5) . . . . ?
C15 C18 C20 C21 179.6(3) . . . . ?
C18 C20 C21 C24 179.3(3) . . . . ?
C18 C20 C21 C22 0.9(5) . . . . ?
C19 N5 C22 O2 179.7(3) . . . . ?
C19 N5 C22 C21 -0.5(5) . . . . ?
C20 C21 C22 O2 -179.8(3) . . . . ?
C24 C21 C22 O2 1.7(5) . . . . ?
C20 C21 C22 N5 0.5(5) . . . . ?
C24 C21 C22 N5 -178.0(3) . . . . ?
C20 C21 C24 N6 -42(18) . . . . ?
C22 C21 C24 N6 136(18) . . . . ?

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
N5 H27 O1 0.899(10) 1.845(11) 2.743(4) 178(4) 1_446
N2 H26 O2 0.894(10) 1.927(11) 2.820(4) 177(4) 1_664

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         0.933
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.072

data_5
_database_code_depnum_ccdc_archive 'CCDC 706597'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H16 Ag2 B2 F8 N8 S2'
_chemical_formula_weight         869.93

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'
B B 0.0013 0.0007 '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'
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   P2(1)/c

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

_cell_length_a                   6.2905(5)
_cell_length_b                   22.8069(19)
_cell_length_c                   10.1479(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.1730(10)
_cell_angle_gamma                90.00
_cell_volume                     1444.5(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      25.50

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.000
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             848
_exptl_absorpt_coefficient_mu    1.586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4927
_exptl_absorpt_correction_T_max  0.7527
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7979
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0259
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.21
_diffrn_reflns_theta_max         25.50
_reflns_number_total             2696
_reflns_number_gt                2412
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of 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. F Atoms of BF4- anion are
disordered over two positions and all B-F bond lengths were restrained to
a target value of 1.35(1) Å. Displacement parameters for disordered F
atoms were also subjected to restraints.
;

_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)+(0.0509P)²+3.1243P] 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         2696
_refine_ls_number_parameters     221
_refine_ls_number_restraints     428
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0400
_refine_ls_wR_factor_ref         0.1090
_refine_ls_wR_factor_gt          0.1057
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.106
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.31611(6) 0.541888(16) -0.08367(4) 0.05414(17) Uani 1 1 d U . 5
N1 N 1.4017(6) 0.63487(17) -0.0122(4) 0.0449(8) Uani 1 1 d U A 5
N2 N 1.0514(7) 0.57665(17) 0.0605(4) 0.0506(9) Uani 1 1 d U A 5
N3 N 0.8826(7) 0.55207(17) 0.1142(4) 0.0499(9) Uani 1 1 d U . 5
N4 N 0.5310(6) 0.51750(17) 0.2292(4) 0.0482(9) Uani 1 1 d U . 5
C1 C 1.5599(8) 0.6654(2) -0.0570(5) 0.0539(11) Uani 1 1 d U A 5
H1 H 1.6429 0.6470 -0.1171 0.065 Uiso 1 1 calc R A 5
C2 C 1.6073(9) 0.7225(2) -0.0194(6) 0.0629(13) Uani 1 1 d U A 5
H2 H 1.7208 0.7429 -0.0531 0.076 Uiso 1 1 calc R A 5
C3 C 1.4876(10) 0.7495(2) 0.0675(7) 0.0706(15) Uani 1 1 d U A 5
H3 H 1.5190 0.7885 0.0962 0.085 Uiso 1 1 calc R A 5
C4 C 1.3223(9) 0.7193(2) 0.1123(6) 0.0608(13) Uani 1 1 d U A 5
H4 H 1.2368 0.7372 0.1718 0.073 Uiso 1 1 calc R A 5
C5 C 1.2818(7) 0.66222(19) 0.0698(4) 0.0436(9) Uani 1 1 d U A 5
C6 C 1.1064(7) 0.62754(18) 0.1121(4) 0.0416(9) Uani 1 1 d U A 5
C7 C 0.8146(7) 0.58443(18) 0.2046(4) 0.0412(9) Uani 1 1 d U A 5
C8 C 0.6312(7) 0.56701(19) 0.2737(4) 0.0415(9) Uani 1 1 d U A 5
C9 C 0.5665(8) 0.5996(2) 0.3754(5) 0.0541(11) Uani 1 1 d U A 5
H9 H 0.6396 0.6346 0.4045 0.065 Uiso 1 1 calc R A 5
C10 C 0.3928(9) 0.5803(3) 0.4344(5) 0.0608(13) Uani 1 1 d U A 5
H10 H 0.3464 0.6016 0.5061 0.073 Uiso 1 1 calc R A 5
C11 C 0.2895(8) 0.5310(3) 0.3895(6) 0.0591(13) Uani 1 1 d U A 5
H11 H 0.1687 0.5175 0.4283 0.071 Uiso 1 1 calc R A 5
C12 C 0.3614(8) 0.5007(2) 0.2869(6) 0.0581(12) Uani 1 1 d U A 5
H12 H 0.2871 0.4661 0.2556 0.070 Uiso 1 1 calc R A 5
S1 S 0.95316(19) 0.64908(5) 0.23277(12) 0.0460(3) Uani 1 1 d U A 5
B1 B 0.9903(10) 0.6446(3) 0.6703(5) 0.0691(17) Uani 0.729(4) 1 d PDU B 1
F1 F 0.9958(10) 0.6675(3) 0.5460(5) 0.0809(15) Uani 0.729(4) 1 d PDU B 1
F2 F 0.7698(8) 0.6324(3) 0.6751(6) 0.1008(17) Uani 0.729(4) 1 d PDU B 1
F3 F 1.0212(10) 0.6873(3) 0.7689(5) 0.0966(16) Uani 0.729(4) 1 d PDU B 1
F4 F 1.0923(13) 0.5944(3) 0.6915(7) 0.140(3) Uani 0.729(4) 1 d PDU B 1
B1' B 0.9903(10) 0.6446(3) 0.6703(5) 0.0691(17) Uani 0.271(4) 1 d PDU B 2
F1' F 0.924(3) 0.6784(7) 0.5698(13) 0.0809(15) Uani 0.271(4) 1 d PDU B 2
F2' F 0.919(2) 0.6242(7) 0.7750(12) 0.1008(17) Uani 0.271(4) 1 d PDU B 2
F3' F 1.2162(15) 0.6484(7) 0.6952(13) 0.0966(16) Uani 0.271(4) 1 d PDU B 2
F4' F 0.993(3) 0.5891(5) 0.6032(16) 0.140(3) Uani 0.271(4) 1 d PDU B 2


_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 N1 2.284(4) . ?
Ag1 N4 2.301(4) 3_765 ?
Ag1 N2 2.480(4) . ?
Ag1 N3 2.481(4) 3_765 ?
Ag1 Ag1 3.3024(8) 3_865 ?
N1 C1 1.340(6) . ?
N1 C5 1.344(6) . ?
N2 C6 1.302(6) . ?
N2 N3 1.372(5) . ?
N3 C7 1.291(6) . ?
N3 Ag1 2.481(4) 3_765 ?
N4 C12 1.336(6) . ?
N4 C8 1.343(6) . ?
N4 Ag1 2.301(4) 3_765 ?
C1 C2 1.379(8) . ?
C1 H1 0.9500 . ?
C2 C3 1.374(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.371(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.465(6) . ?
C6 S1 1.722(4) . ?
C7 C8 1.478(6) . ?
C7 S1 1.718(4) . ?
C8 C9 1.374(6) . ?
C9 C10 1.382(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.349(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.373(8) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
B1 F4 1.317(7) . ?
B1 F1 1.370(6) . ?
B1 F3 1.393(7) . ?
B1 F2 1.421(7) . ?

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 Ag1 N4 130.49(13) . 3_765 ?
N1 Ag1 N2 70.43(13) . . ?
N4 Ag1 N2 158.75(14) 3_765 . ?
N1 Ag1 N3 159.55(13) . 3_765 ?
N4 Ag1 N3 69.88(13) 3_765 3_765 ?
N2 Ag1 N3 89.13(13) . 3_765 ?
N1 Ag1 Ag1 104.57(10) . 3_865 ?
N4 Ag1 Ag1 70.57(10) 3_765 3_865 ?
N2 Ag1 Ag1 111.14(10) . 3_865 ?
N3 Ag1 Ag1 82.76(10) 3_765 3_865 ?
C1 N1 C5 117.8(4) . . ?
C1 N1 Ag1 122.1(3) . . ?
C5 N1 Ag1 119.9(3) . . ?
C6 N2 N3 112.6(4) . . ?
C6 N2 Ag1 111.0(3) . . ?
N3 N2 Ag1 135.5(3) . . ?
C7 N3 N2 113.0(4) . . ?
C7 N3 Ag1 112.1(3) . 3_765 ?
N2 N3 Ag1 134.9(3) . 3_765 ?
C12 N4 C8 117.5(4) . . ?
C12 N4 Ag1 122.2(3) . 3_765 ?
C8 N4 Ag1 119.6(3) . 3_765 ?
N1 C1 C2 122.8(5) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C3 C2 C1 118.8(5) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C4 C3 C2 119.2(5) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 119.1(5) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
N1 C5 C4 122.2(4) . . ?
N1 C5 C6 115.6(4) . . ?
C4 C5 C6 122.1(4) . . ?
N2 C6 C5 122.4(4) . . ?
N2 C6 S1 113.3(3) . . ?
C5 C6 S1 124.3(3) . . ?
N3 C7 C8 122.1(4) . . ?
N3 C7 S1 113.7(3) . . ?
C8 C7 S1 124.2(3) . . ?
N4 C8 C9 122.4(4) . . ?
N4 C8 C7 115.4(4) . . ?
C9 C8 C7 122.2(4) . . ?
C8 C9 C10 118.5(5) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 H9 120.7 . . ?
C11 C10 C9 119.5(5) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 119.1(5) . . ?
C10 C11 H11 120.5 . . ?
C12 C11 H11 120.5 . . ?
N4 C12 C11 123.0(5) . . ?
N4 C12 H12 118.5 . . ?
C11 C12 H12 118.5 . . ?
C7 S1 C6 87.4(2) . . ?
F4 B1 F1 114.4(6) . . ?
F4 B1 F3 118.0(6) . . ?
F1 B1 F3 112.2(5) . . ?
F4 B1 F2 106.4(6) . . ?
F1 B1 F2 104.1(5) . . ?
F3 B1 F2 99.3(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Ag1 N1 C1 2.0(4) 3_765 . . . ?
N2 Ag1 N1 C1 -173.7(4) . . . . ?
N3 Ag1 N1 C1 -172.3(4) 3_765 . . . ?
Ag1 Ag1 N1 C1 78.7(4) 3_865 . . . ?
N4 Ag1 N1 C5 177.0(3) 3_765 . . . ?
N2 Ag1 N1 C5 1.3(3) . . . . ?
N3 Ag1 N1 C5 2.6(6) 3_765 . . . ?
Ag1 Ag1 N1 C5 -106.3(3) 3_865 . . . ?
N1 Ag1 N2 C6 -5.5(3) . . . . ?
N4 Ag1 N2 C6 -176.4(3) 3_765 . . . ?
N3 Ag1 N2 C6 174.9(3) 3_765 . . . ?
Ag1 Ag1 N2 C6 93.0(3) 3_865 . . . ?
N1 Ag1 N2 N3 -173.4(5) . . . . ?
N4 Ag1 N2 N3 15.7(7) 3_765 . . . ?
N3 Ag1 N2 N3 7.0(5) 3_765 . . . ?
Ag1 Ag1 N2 N3 -74.9(5) 3_865 . . . ?
C6 N2 N3 C7 -0.2(6) . . . . ?
Ag1 N2 N3 C7 167.5(3) . . . . ?
C6 N2 N3 Ag1 -177.7(3) . . . 3_765 ?
Ag1 N2 N3 Ag1 -10.0(7) . . . 3_765 ?
C5 N1 C1 C2 1.9(7) . . . . ?
Ag1 N1 C1 C2 177.0(4) . . . . ?
N1 C1 C2 C3 0.0(8) . . . . ?
C1 C2 C3 C4 -1.2(9) . . . . ?
C2 C3 C4 C5 0.6(9) . . . . ?
C1 N1 C5 C4 -2.6(7) . . . . ?
Ag1 N1 C5 C4 -177.7(4) . . . . ?
C1 N1 C5 C6 177.9(4) . . . . ?
Ag1 N1 C5 C6 2.7(5) . . . . ?
C3 C4 C5 N1 1.3(8) . . . . ?
C3 C4 C5 C6 -179.2(5) . . . . ?
N3 N2 C6 C5 -179.7(4) . . . . ?
Ag1 N2 C6 C5 9.5(5) . . . . ?
N3 N2 C6 S1 0.3(5) . . . . ?
Ag1 N2 C6 S1 -170.5(2) . . . . ?
N1 C5 C6 N2 -8.9(6) . . . . ?
C4 C5 C6 N2 171.6(5) . . . . ?
N1 C5 C6 S1 171.2(3) . . . . ?
C4 C5 C6 S1 -8.3(7) . . . . ?
N2 N3 C7 C8 178.7(4) . . . . ?
Ag1 N3 C7 C8 -3.2(5) 3_765 . . . ?
N2 N3 C7 S1 0.0(5) . . . . ?
Ag1 N3 C7 S1 178.11(19) 3_765 . . . ?
C12 N4 C8 C9 0.7(7) . . . . ?
Ag1 N4 C8 C9 -169.7(4) 3_765 . . . ?
C12 N4 C8 C7 -178.7(4) . . . . ?
Ag1 N4 C8 C7 10.9(5) 3_765 . . . ?
N3 C7 C8 N4 -4.6(6) . . . . ?
S1 C7 C8 N4 173.9(3) . . . . ?
N3 C7 C8 C9 176.0(5) . . . . ?
S1 C7 C8 C9 -5.4(6) . . . . ?
N4 C8 C9 C10 0.4(7) . . . . ?
C7 C8 C9 C10 179.8(4) . . . . ?
C8 C9 C10 C11 -1.2(8) . . . . ?
C9 C10 C11 C12 0.8(8) . . . . ?
C8 N4 C12 C11 -1.1(8) . . . . ?
Ag1 N4 C12 C11 169.1(4) 3_765 . . . ?
C10 C11 C12 N4 0.4(8) . . . . ?
N3 C7 S1 C6 0.1(4) . . . . ?
C8 C7 S1 C6 -178.6(4) . . . . ?
N2 C6 S1 C7 -0.2(4) . . . . ?
C5 C6 S1 C7 179.7(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.331
_refine_diff_density_min         -0.855
_refine_diff_density_rms         0.086

data_6
_database_code_depnum_ccdc_archive 'CCDC 706598'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H16 Ag2 Cl2 N8 O8 S2'
_chemical_formula_weight         895.21

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'
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   P2(1)/c

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

_cell_length_a                   6.3525(6)
_cell_length_b                   22.701(2)
_cell_length_c                   10.3344(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.948(2)
_cell_angle_gamma                90.00
_cell_volume                     1479.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      27.50

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.010
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             880
_exptl_absorpt_coefficient_mu    1.709
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4760
_exptl_absorpt_correction_T_max  0.8897
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9499
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.18
_diffrn_reflns_theta_max         27.50
_reflns_number_total             3372
_reflns_number_gt                2828
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of 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. O toms of ClO4- anion are
disordered over two positions and all Cl-O bond lengths were restrained to
a target value of 1.44(1) Å. Displacement parameters for disordered
O atoms were also subjected to restraints.
;

_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)+(0.0580P)²+1.5746P] 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         3372
_refine_ls_number_parameters     221
_refine_ls_number_restraints     278
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0401
_refine_ls_wR_factor_ref         0.1163
_refine_ls_wR_factor_gt          0.1096
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.31300(5) 0.541127(14) -0.08479(3) 0.05765(14) Uani 1 1 d . . .
N1 N 1.4124(5) 0.63334(14) -0.0092(3) 0.0463(7) Uani 1 1 d U . .
N2 N 1.0613(5) 0.57670(14) 0.0619(3) 0.0529(7) Uani 1 1 d U . .
N3 N 0.8932(6) 0.55258(15) 0.1146(3) 0.0533(8) Uani 1 1 d U . .
N4 N 0.5422(5) 0.51953(14) 0.2281(3) 0.0520(7) Uani 1 1 d U . .
S1 S 0.96898(15) 0.64946(4) 0.23239(9) 0.0485(2) Uani 1 1 d . . .
Cl1 Cl 1.00407(19) 0.64347(5) 0.67498(10) 0.0648(3) Uani 0.736(5) 1 d PDU A 1
O1 O 1.1127(12) 0.5905(3) 0.6877(7) 0.124(2) Uani 0.736(5) 1 d PDU A 1
O2 O 1.0535(11) 0.6846(3) 0.7804(5) 0.0924(16) Uani 0.736(5) 1 d PDU A 1
O3 O 1.0149(10) 0.6730(3) 0.5528(4) 0.0754(14) Uani 0.736(5) 1 d PDU A 1
O4 O 0.7765(7) 0.6298(2) 0.6769(5) 0.0864(15) Uani 0.736(5) 1 d PDU A 1
Cl1' Cl 1.00407(19) 0.64347(5) 0.67498(10) 0.0648(3) Uani 0.264(5) 1 d PDU A 2
O1' O 0.935(3) 0.5974(6) 0.7515(16) 0.124(2) Uani 0.264(5) 1 d PDU A 2
O2' O 1.2415(13) 0.6397(7) 0.6993(12) 0.0924(16) Uani 0.264(5) 1 d PDU A 2
O3' O 0.963(3) 0.6544(8) 0.5418(9) 0.0754(14) Uani 0.264(5) 1 d PDU A 2
O4' O 0.965(3) 0.6980(5) 0.7464(15) 0.0864(15) Uani 0.264(5) 1 d PDU A 2
C1 C 1.5705(7) 0.66352(19) -0.0530(4) 0.0559(9) Uani 1 1 d U . .
H1 H 1.6509 0.6449 -0.1131 0.067 Uiso 1 1 calc R . .
C2 C 1.6219(7) 0.7205(2) -0.0150(5) 0.0653(11) Uani 1 1 d U . .
H2 H 1.7360 0.7403 -0.0477 0.078 Uiso 1 1 calc R . .
C3 C 1.5066(8) 0.7478(2) 0.0702(6) 0.0746(13) Uani 1 1 d U . .
H3 H 1.5403 0.7868 0.0987 0.089 Uiso 1 1 calc R . .
C4 C 1.3406(7) 0.71807(18) 0.1145(5) 0.0636(11) Uani 1 1 d U . .
H4 H 1.2575 0.7365 0.1734 0.076 Uiso 1 1 calc R . .
C5 C 1.2959(6) 0.66126(16) 0.0724(4) 0.0460(8) Uani 1 1 d U . .
C6 C 1.1194(6) 0.62727(16) 0.1133(3) 0.0442(7) Uani 1 1 d U . .
C7 C 0.8271(6) 0.58530(16) 0.2040(3) 0.0440(7) Uani 1 1 d U . .
C8 C 0.6455(6) 0.56830(17) 0.2731(3) 0.0447(7) Uani 1 1 d U . .
C9 C 0.5851(6) 0.6010(2) 0.3740(4) 0.0567(9) Uani 1 1 d U . .
H9 H 0.6617 0.6354 0.4031 0.068 Uiso 1 1 calc R . .
C10 C 0.4130(8) 0.5835(2) 0.4323(4) 0.0648(11) Uani 1 1 d U . .
H10 H 0.3689 0.6055 0.5025 0.078 Uiso 1 1 calc R . .
C11 C 0.3054(7) 0.5337(2) 0.3880(5) 0.0618(11) Uani 1 1 d U . .
H11 H 0.1859 0.5205 0.4270 0.074 Uiso 1 1 calc R . .
C12 C 0.3742(7) 0.50335(19) 0.2857(5) 0.0597(10) Uani 1 1 d U . .
H12 H 0.2982 0.4691 0.2546 0.072 Uiso 1 1 calc R . .


_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 N4 2.294(3) 3_765 ?
Ag1 N1 2.296(3) . ?
Ag1 N2 2.468(3) . ?
Ag1 N3 2.498(3) 3_765 ?
Ag1 Ag1 3.3459(7) 3_865 ?
N1 C1 1.339(5) . ?
N1 C5 1.346(5) . ?
N2 C6 1.300(5) . ?
N2 N3 1.370(5) . ?
N3 C7 1.295(5) . ?
N3 Ag1 2.498(3) 3_765 ?
N4 C12 1.336(5) . ?
N4 C8 1.341(5) . ?
N4 Ag1 2.294(3) 3_765 ?
S1 C7 1.719(4) . ?
S1 C6 1.722(4) . ?
Cl1 O1 1.384(5) . ?
Cl1 O3 1.439(4) . ?
Cl1 O2 1.440(5) . ?
Cl1 O4 1.481(4) . ?
C1 C2 1.379(6) . ?
C1 H1 0.9500 . ?
C2 C3 1.361(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.376(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.465(5) . ?
C7 C8 1.479(5) . ?
C8 C9 1.373(5) . ?
C9 C10 1.370(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.370(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.377(7) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?

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
N4 Ag1 N1 130.67(11) 3_765 . ?
N4 Ag1 N2 158.85(12) 3_765 . ?
N1 Ag1 N2 70.41(11) . . ?
N4 Ag1 N3 69.78(11) 3_765 3_765 ?
N1 Ag1 N3 159.55(11) . 3_765 ?
N2 Ag1 N3 89.16(11) . 3_765 ?
N4 Ag1 Ag1 71.85(9) 3_765 3_865 ?
N1 Ag1 Ag1 100.48(8) . 3_865 ?
N2 Ag1 Ag1 109.43(8) . 3_865 ?
N3 Ag1 Ag1 85.29(9) 3_765 3_865 ?
C1 N1 C5 117.6(3) . . ?
C1 N1 Ag1 122.5(3) . . ?
C5 N1 Ag1 119.5(2) . . ?
C6 N2 N3 112.7(3) . . ?
C6 N2 Ag1 111.5(2) . . ?
N3 N2 Ag1 135.0(2) . . ?
C7 N3 N2 113.0(3) . . ?
C7 N3 Ag1 111.5(2) . 3_765 ?
N2 N3 Ag1 135.5(2) . 3_765 ?
C12 N4 C8 117.1(4) . . ?
C12 N4 Ag1 121.8(3) . 3_765 ?
C8 N4 Ag1 120.1(2) . 3_765 ?
C7 S1 C6 87.43(17) . . ?
O1 Cl1 O3 114.4(4) . . ?
O1 Cl1 O2 115.5(4) . . ?
O3 Cl1 O2 109.4(3) . . ?
O1 Cl1 O4 107.0(4) . . ?
O3 Cl1 O4 105.1(3) . . ?
O2 Cl1 O4 104.5(4) . . ?
N1 C1 C2 123.0(4) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C3 C2 C1 119.0(4) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 119.1(4) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C3 C4 C5 119.4(4) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
N1 C5 C4 122.0(4) . . ?
N1 C5 C6 115.5(3) . . ?
C4 C5 C6 122.5(4) . . ?
N2 C6 C5 122.5(3) . . ?
N2 C6 S1 113.3(3) . . ?
C5 C6 S1 124.2(3) . . ?
N3 C7 C8 122.3(3) . . ?
N3 C7 S1 113.5(3) . . ?
C8 C7 S1 124.2(3) . . ?
N4 C8 C9 122.7(4) . . ?
N4 C8 C7 115.2(3) . . ?
C9 C8 C7 122.1(4) . . ?
C10 C9 C8 119.2(4) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C11 C10 C9 119.0(4) . . ?
C11 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
C10 C11 C12 118.5(4) . . ?
C10 C11 H11 120.7 . . ?
C12 C11 H11 120.7 . . ?
N4 C12 C11 123.4(4) . . ?
N4 C12 H12 118.3 . . ?
C11 C12 H12 118.3 . . ?

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
N4 Ag1 N1 C1 4.7(4) 3_765 . . . ?
N2 Ag1 N1 C1 -173.3(3) . . . . ?
N3 Ag1 N1 C1 -175.5(3) 3_765 . . . ?
Ag1 Ag1 N1 C1 79.7(3) 3_865 . . . ?
N4 Ag1 N1 C5 177.7(2) 3_765 . . . ?
N2 Ag1 N1 C5 -0.3(3) . . . . ?
N3 Ag1 N1 C5 -2.4(5) 3_765 . . . ?
Ag1 Ag1 N1 C5 -107.3(3) 3_865 . . . ?
N4 Ag1 N2 C6 -179.7(3) 3_765 . . . ?
N1 Ag1 N2 C6 -4.0(3) . . . . ?
N3 Ag1 N2 C6 175.2(3) 3_765 . . . ?
Ag1 Ag1 N2 C6 90.5(3) 3_865 . . . ?
N4 Ag1 N2 N3 10.9(6) 3_765 . . . ?
N1 Ag1 N2 N3 -173.4(4) . . . . ?
N3 Ag1 N2 N3 5.8(4) 3_765 . . . ?
Ag1 Ag1 N2 N3 -78.9(4) 3_865 . . . ?
C6 N2 N3 C7 0.3(5) . . . . ?
Ag1 N2 N3 C7 169.6(3) . . . . ?
C6 N2 N3 Ag1 -177.6(3) . . . 3_765 ?
Ag1 N2 N3 Ag1 -8.3(6) . . . 3_765 ?
C5 N1 C1 C2 2.2(6) . . . . ?
Ag1 N1 C1 C2 175.4(3) . . . . ?
N1 C1 C2 C3 -0.5(7) . . . . ?
C1 C2 C3 C4 -0.9(8) . . . . ?
C2 C3 C4 C5 0.5(8) . . . . ?
C1 N1 C5 C4 -2.5(6) . . . . ?
Ag1 N1 C5 C4 -175.9(3) . . . . ?
C1 N1 C5 C6 177.5(3) . . . . ?
Ag1 N1 C5 C6 4.1(4) . . . . ?
C3 C4 C5 N1 1.2(7) . . . . ?
C3 C4 C5 C6 -178.8(4) . . . . ?
N3 N2 C6 C5 179.9(3) . . . . ?
Ag1 N2 C6 C5 8.0(4) . . . . ?
N3 N2 C6 S1 -0.1(4) . . . . ?
Ag1 N2 C6 S1 -171.98(16) . . . . ?
N1 C5 C6 N2 -8.6(5) . . . . ?
C4 C5 C6 N2 171.4(4) . . . . ?
N1 C5 C6 S1 171.4(3) . . . . ?
C4 C5 C6 S1 -8.6(5) . . . . ?
C7 S1 C6 N2 -0.1(3) . . . . ?
C7 S1 C6 C5 179.9(3) . . . . ?
N2 N3 C7 C8 179.2(3) . . . . ?
Ag1 N3 C7 C8 -2.3(4) 3_765 . . . ?
N2 N3 C7 S1 -0.4(4) . . . . ?
Ag1 N3 C7 S1 178.07(16) 3_765 . . . ?
C6 S1 C7 N3 0.3(3) . . . . ?
C6 S1 C7 C8 -179.3(3) . . . . ?
C12 N4 C8 C9 0.1(6) . . . . ?
Ag1 N4 C8 C9 -169.2(3) 3_765 . . . ?
C12 N4 C8 C7 -178.5(3) . . . . ?
Ag1 N4 C8 C7 12.2(4) 3_765 . . . ?
N3 C7 C8 N4 -6.0(5) . . . . ?
S1 C7 C8 N4 173.5(3) . . . . ?
N3 C7 C8 C9 175.4(4) . . . . ?
S1 C7 C8 C9 -5.1(5) . . . . ?
N4 C8 C9 C10 0.3(6) . . . . ?
C7 C8 C9 C10 178.8(4) . . . . ?
C8 C9 C10 C11 -0.2(7) . . . . ?
C9 C10 C11 C12 -0.3(7) . . . . ?
C8 N4 C12 C11 -0.6(6) . . . . ?
Ag1 N4 C12 C11 168.5(3) 3_765 . . . ?
C10 C11 C12 N4 0.7(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.090

data_7
_database_code_depnum_ccdc_archive 'CCDC 706599'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H16 Ag2 F12 N8 P2 S2'
_chemical_formula_weight         986.25

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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   P2(1)/c

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

_cell_length_a                   6.4014(4)
_cell_length_b                   23.1239(16)
_cell_length_c                   10.6375(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.0630(10)
_cell_angle_gamma                90.00
_cell_volume                     1565.81(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.12
_cell_measurement_theta_max      25.50

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.092
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             960
_exptl_absorpt_coefficient_mu    1.592
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4973
_exptl_absorpt_correction_T_max  0.7208
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8569
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_av_sigmaI/netI    0.0178
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.12
_diffrn_reflns_theta_max         25.50
_reflns_number_total             2905
_reflns_number_gt                2649
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of 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)+(0.0331P)²+1.2288P] 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         2905
_refine_ls_number_parameters     226
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0253
_refine_ls_wR_factor_ref         0.0665
_refine_ls_wR_factor_gt          0.0643
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.31930(3) 0.538312(9) -0.07893(2) 0.04920(10) Uani 1 1 d . . .
N1 N 1.4128(3) 0.62913(10) -0.0085(2) 0.0429(5) Uani 1 1 d . . .
N2 N 1.0754(4) 0.57143(9) 0.0716(2) 0.0454(5) Uani 1 1 d . . .
N3 N 0.9066(4) 0.54829(9) 0.1224(2) 0.0456(5) Uani 1 1 d . . .
N4 N 0.5484(4) 0.51784(10) 0.2285(2) 0.0451(5) Uani 1 1 d . . .
S1 S 0.96546(11) 0.64651(3) 0.22496(7) 0.04543(17) Uani 1 1 d . . .
C1 C 1.5668(5) 0.65892(14) -0.0542(3) 0.0539(7) Uani 1 1 d . . .
H1 H 1.6482 0.6402 -0.1119 0.065 Uiso 1 1 calc R . .
C2 C 1.6132(5) 0.71535(15) -0.0219(4) 0.0648(9) Uani 1 1 d . . .
H2 H 1.7238 0.7351 -0.0568 0.078 Uiso 1 1 calc R . .
C3 C 1.4964(6) 0.74281(15) 0.0620(4) 0.0724(10) Uani 1 1 d . . .
H3 H 1.5259 0.7817 0.0866 0.087 Uiso 1 1 calc R . .
C4 C 1.3361(5) 0.71284(13) 0.1095(3) 0.0611(8) Uani 1 1 d . . .
H4 H 1.2534 0.7307 0.1676 0.073 Uiso 1 1 calc R . .
C5 C 1.2975(4) 0.65656(11) 0.0714(2) 0.0408(6) Uani 1 1 d . . .
C6 C 1.1239(4) 0.62260(11) 0.1149(2) 0.0383(5) Uani 1 1 d . . .
C7 C 0.8320(4) 0.58220(11) 0.2038(2) 0.0384(5) Uani 1 1 d . . .
C8 C 0.6491(4) 0.56640(11) 0.2694(2) 0.0389(5) Uani 1 1 d . . .
C9 C 0.5860(4) 0.59909(13) 0.3663(3) 0.0500(7) Uani 1 1 d . . .
H9 H 0.6597 0.6334 0.3928 0.060 Uiso 1 1 calc R . .
C10 C 0.4142(5) 0.58155(15) 0.4249(3) 0.0561(7) Uani 1 1 d . . .
H10 H 0.3685 0.6034 0.4925 0.067 Uiso 1 1 calc R . .
C11 C 0.3110(5) 0.53214(14) 0.3840(3) 0.0542(7) Uani 1 1 d . . .
H11 H 0.1921 0.5192 0.4225 0.065 Uiso 1 1 calc R . .
C12 C 0.3821(5) 0.50167(13) 0.2865(3) 0.0538(7) Uani 1 1 d . . .
H12 H 0.3097 0.4674 0.2586 0.065 Uiso 1 1 calc R . .
P1 P 0.99436(11) 0.64227(3) 0.66987(7) 0.04617(18) Uani 1 1 d . . .
F1 F 0.9729(4) 0.70118(11) 0.7406(3) 0.1027(9) Uani 1 1 d . . .
F2 F 0.7447(3) 0.63673(9) 0.64969(18) 0.0638(5) Uani 1 1 d . . .
F3 F 1.0096(4) 0.58327(10) 0.5957(3) 0.1014(8) Uani 1 1 d . . .
F4 F 1.2419(3) 0.64760(11) 0.6896(2) 0.0828(6) Uani 1 1 d . . .
F5 F 0.9941(4) 0.67544(12) 0.5406(2) 0.0951(8) Uani 1 1 d . . .
F6 F 0.9896(3) 0.60807(12) 0.7979(2) 0.0948(8) 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
Ag1 N4 2.284(2) 3_765 ?
Ag1 N1 2.288(2) . ?
Ag1 N2 2.473(2) . ?
Ag1 N3 2.485(2) 3_765 ?
Ag1 Ag1 3.2390(5) 3_865 ?
N1 C1 1.335(4) . ?
N1 C5 1.343(3) . ?
N2 C6 1.296(3) . ?
N2 N3 1.367(3) . ?
N3 C7 1.296(3) . ?
N3 Ag1 2.485(2) 3_765 ?
N4 C12 1.339(4) . ?
N4 C8 1.344(3) . ?
N4 Ag1 2.284(2) 3_765 ?
S1 C7 1.718(3) . ?
S1 C6 1.719(3) . ?
C1 C2 1.374(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.379(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.377(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.475(4) . ?
C7 C8 1.471(4) . ?
C8 C9 1.373(4) . ?
C9 C10 1.381(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.368(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.371(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
P1 F1 1.569(2) . ?
P1 F5 1.574(2) . ?
P1 F6 1.578(2) . ?
P1 F4 1.5814(19) . ?
P1 F3 1.584(2) . ?
P1 F2 1.5953(18) . ?

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
N4 Ag1 N1 130.26(8) 3_765 . ?
N4 Ag1 N2 158.86(8) 3_765 . ?
N1 Ag1 N2 70.44(7) . . ?
N4 Ag1 N3 70.34(8) 3_765 3_765 ?
N1 Ag1 N3 158.08(8) . 3_765 ?
N2 Ag1 N3 88.58(7) . 3_765 ?
N4 Ag1 Ag1 75.71(6) 3_765 3_865 ?
N1 Ag1 Ag1 100.63(6) . 3_865 ?
N2 Ag1 Ag1 107.40(6) . 3_865 ?
N3 Ag1 Ag1 91.45(6) 3_765 3_865 ?
C1 N1 C5 117.6(2) . . ?
C1 N1 Ag1 122.14(19) . . ?
C5 N1 Ag1 119.89(17) . . ?
C6 N2 N3 112.7(2) . . ?
C6 N2 Ag1 111.66(17) . . ?
N3 N2 Ag1 135.57(16) . . ?
C7 N3 N2 112.9(2) . . ?
C7 N3 Ag1 111.33(17) . 3_765 ?
N2 N3 Ag1 135.28(16) . 3_765 ?
C12 N4 C8 117.5(2) . . ?
C12 N4 Ag1 122.23(19) . 3_765 ?
C8 N4 Ag1 120.02(17) . 3_765 ?
C7 S1 C6 87.32(12) . . ?
N1 C1 C2 123.2(3) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C1 C2 C3 118.8(3) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 118.8(3) . . ?
C4 C3 H3 120.6 . . ?
C2 C3 H3 120.6 . . ?
C3 C4 C5 119.0(3) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
N1 C5 C4 122.6(3) . . ?
N1 C5 C6 115.5(2) . . ?
C4 C5 C6 121.9(2) . . ?
N2 C6 C5 122.3(2) . . ?
N2 C6 S1 113.6(2) . . ?
C5 C6 S1 124.11(19) . . ?
N3 C7 C8 122.3(2) . . ?
N3 C7 S1 113.46(19) . . ?
C8 C7 S1 124.21(19) . . ?
N4 C8 C9 122.3(2) . . ?
N4 C8 C7 115.6(2) . . ?
C9 C8 C7 122.1(2) . . ?
C8 C9 C10 119.3(3) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 H9 120.4 . . ?
C11 C10 C9 118.9(3) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C10 C11 C12 118.8(3) . . ?
C10 C11 H11 120.6 . . ?
C12 C11 H11 120.6 . . ?
N4 C12 C11 123.3(3) . . ?
N4 C12 H12 118.3 . . ?
C11 C12 H12 118.3 . . ?
F1 P1 F5 90.23(16) . . ?
F1 P1 F6 90.59(16) . . ?
F5 P1 F6 178.52(14) . . ?
F1 P1 F4 90.33(14) . . ?
F5 P1 F4 89.23(13) . . ?
F6 P1 F4 92.00(12) . . ?
F1 P1 F3 178.24(16) . . ?
F5 P1 F3 88.81(16) . . ?
F6 P1 F3 90.34(16) . . ?
F4 P1 F3 91.13(14) . . ?
F1 P1 F2 89.83(13) . . ?
F5 P1 F2 90.76(12) . . ?
F6 P1 F2 88.01(11) . . ?
F4 P1 F2 179.83(15) . . ?
F3 P1 F2 88.70(12) . . ?

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
N4 Ag1 N1 C1 0.0(3) 3_765 . . . ?
N2 Ag1 N1 C1 -174.9(2) . . . . ?
N3 Ag1 N1 C1 -157.4(2) 3_765 . . . ?
Ag1 Ag1 N1 C1 80.2(2) 3_865 . . . ?
N4 Ag1 N1 C5 172.83(18) 3_765 . . . ?
N2 Ag1 N1 C5 -2.12(19) . . . . ?
N3 Ag1 N1 C5 15.4(3) 3_765 . . . ?
Ag1 Ag1 N1 C5 -106.96(19) 3_865 . . . ?
N4 Ag1 N2 C6 -169.9(2) 3_765 . . . ?
N1 Ag1 N2 C6 -0.62(18) . . . . ?
N3 Ag1 N2 C6 -174.17(19) 3_765 . . . ?
Ag1 Ag1 N2 C6 94.76(18) 3_865 . . . ?
N4 Ag1 N2 N3 12.4(4) 3_765 . . . ?
N1 Ag1 N2 N3 -178.4(3) . . . . ?
N3 Ag1 N2 N3 8.1(3) 3_765 . . . ?
Ag1 Ag1 N2 N3 -83.0(3) 3_865 . . . ?
C6 N2 N3 C7 -0.5(3) . . . . ?
Ag1 N2 N3 C7 177.19(19) . . . . ?
C6 N2 N3 Ag1 170.7(2) . . . 3_765 ?
Ag1 N2 N3 Ag1 -11.5(4) . . . 3_765 ?
C5 N1 C1 C2 0.9(4) . . . . ?
Ag1 N1 C1 C2 173.9(3) . . . . ?
N1 C1 C2 C3 0.2(5) . . . . ?
C1 C2 C3 C4 -0.6(6) . . . . ?
C2 C3 C4 C5 -0.2(6) . . . . ?
C1 N1 C5 C4 -1.7(4) . . . . ?
Ag1 N1 C5 C4 -174.9(2) . . . . ?
C1 N1 C5 C6 177.5(2) . . . . ?
Ag1 N1 C5 C6 4.3(3) . . . . ?
C3 C4 C5 N1 1.4(5) . . . . ?
C3 C4 C5 C6 -177.8(3) . . . . ?
N3 N2 C6 C5 -178.5(2) . . . . ?
Ag1 N2 C6 C5 3.2(3) . . . . ?
N3 N2 C6 S1 0.8(3) . . . . ?
Ag1 N2 C6 S1 -177.50(11) . . . . ?
N1 C5 C6 N2 -5.1(4) . . . . ?
C4 C5 C6 N2 174.1(3) . . . . ?
N1 C5 C6 S1 175.60(19) . . . . ?
C4 C5 C6 S1 -5.1(4) . . . . ?
C7 S1 C6 N2 -0.6(2) . . . . ?
C7 S1 C6 C5 178.7(2) . . . . ?
N2 N3 C7 C8 179.4(2) . . . . ?
Ag1 N3 C7 C8 6.0(3) 3_765 . . . ?
N2 N3 C7 S1 0.0(3) . . . . ?
Ag1 N3 C7 S1 -173.39(11) 3_765 . . . ?
C6 S1 C7 N3 0.3(2) . . . . ?
C6 S1 C7 C8 -179.0(2) . . . . ?
C12 N4 C8 C9 -0.4(4) . . . . ?
Ag1 N4 C8 C9 -174.5(2) 3_765 . . . ?
C12 N4 C8 C7 179.5(2) . . . . ?
Ag1 N4 C8 C7 5.3(3) 3_765 . . . ?
N3 C7 C8 N4 -7.8(4) . . . . ?
S1 C7 C8 N4 171.46(19) . . . . ?
N3 C7 C8 C9 172.0(3) . . . . ?
S1 C7 C8 C9 -8.7(4) . . . . ?
N4 C8 C9 C10 0.5(4) . . . . ?
C7 C8 C9 C10 -179.3(3) . . . . ?
C8 C9 C10 C11 -0.4(5) . . . . ?
C9 C10 C11 C12 0.2(5) . . . . ?
C8 N4 C12 C11 0.2(4) . . . . ?
Ag1 N4 C12 C11 174.2(2) 3_765 . . . ?
C10 C11 C12 N4 -0.1(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.503
_refine_diff_density_min         -0.479
_refine_diff_density_rms         0.061

# Attachment 'Structure 8 new.cif'

data_8
_database_code_depnum_ccdc_archive 'CCDC 706600'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H16 Ag2 As2 F12 N8 S2'
_chemical_formula_weight         1074.15

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'
As As 0.0499 2.0058 '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'
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                   8.4118(10)
_cell_length_b                   8.6865(10)
_cell_length_c                   11.089(2)
_cell_angle_alpha                86.128(7)
_cell_angle_beta                 77.818(12)
_cell_angle_gamma                80.346(13)
_cell_volume                     780.37(19)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             516
_exptl_absorpt_coefficient_mu    3.599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3067
_exptl_absorpt_correction_T_max  0.5048
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4192
_diffrn_reflns_av_R_equivalents  0.0133
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.38
_diffrn_reflns_theta_max         25.00
_reflns_number_total             2707
_reflns_number_gt                2403
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of 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)+(0.0574P)²+0.1055P] 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         2707
_refine_ls_number_parameters     226
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0309
_refine_ls_wR_factor_ref         0.0872
_refine_ls_wR_factor_gt          0.0850
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.78054(4) -0.05249(4) 0.42334(3) 0.05265(14) Uani 1 1 d . . .
S1 S 0.45096(10) 0.27915(11) 0.18991(8) 0.0402(2) Uani 1 1 d . . .
N1 N 0.8949(4) 0.0654(4) 0.2327(3) 0.0415(7) Uani 1 1 d . . .
N2 N 0.5779(3) 0.1445(4) 0.3646(3) 0.0413(7) Uani 1 1 d . . .
N3 N 0.4132(3) 0.1792(4) 0.4132(3) 0.0420(7) Uani 1 1 d . . .
N4 N 0.0722(3) 0.2265(4) 0.4621(3) 0.0412(7) Uani 1 1 d . . .
C1 C 1.0524(4) 0.0460(5) 0.1758(3) 0.0469(9) Uani 1 1 d . . .
H1 H 1.1286 -0.0265 0.2115 0.056 Uiso 1 1 calc R . .
C2 C 1.1115(5) 0.1248(5) 0.0683(4) 0.0519(10) Uani 1 1 d . . .
H2 H 1.2254 0.1076 0.0313 0.062 Uiso 1 1 calc R . .
C3 C 1.0023(5) 0.2283(5) 0.0159(4) 0.0542(10) Uani 1 1 d . . .
H3 H 1.0392 0.2838 -0.0588 0.065 Uiso 1 1 calc R . .
C4 C 0.8363(5) 0.2518(5) 0.0731(3) 0.0458(9) Uani 1 1 d . . .
H4 H 0.7584 0.3237 0.0386 0.055 Uiso 1 1 calc R . .
C5 C 0.7880(4) 0.1689(4) 0.1799(3) 0.0353(7) Uani 1 1 d . . .
C6 C 0.6168(4) 0.1896(4) 0.2492(3) 0.0352(7) Uani 1 1 d . . .
C7 C 0.3319(4) 0.2502(4) 0.3331(3) 0.0350(7) Uani 1 1 d . . .
C8 C 0.1524(4) 0.3010(4) 0.3640(3) 0.0364(7) Uani 1 1 d . . .
C9 C 0.0726(5) 0.4191(5) 0.2992(4) 0.0477(9) Uani 1 1 d . . .
H9 H 0.1327 0.4686 0.2294 0.057 Uiso 1 1 calc R . .
C10 C -0.0944(5) 0.4652(5) 0.3359(4) 0.0540(10) Uani 1 1 d . . .
H10 H -0.1510 0.5469 0.2922 0.065 Uiso 1 1 calc R . .
C11 C -0.1772(5) 0.3912(5) 0.4363(4) 0.0516(10) Uani 1 1 d . . .
H11 H -0.2926 0.4204 0.4640 0.062 Uiso 1 1 calc R . .
C12 C -0.0899(5) 0.2731(5) 0.4969(4) 0.0501(9) Uani 1 1 d . . .
H12 H -0.1481 0.2222 0.5668 0.060 Uiso 1 1 calc R . .
As1 As 0.49842(4) 0.73752(4) 0.20873(3) 0.03967(14) Uani 1 1 d . . .
F1 F 0.6764(3) 0.7968(3) 0.2264(3) 0.0702(7) Uani 1 1 d . . .
F2 F 0.6122(4) 0.6072(3) 0.1028(2) 0.0775(8) Uani 1 1 d . . .
F3 F 0.3198(3) 0.6779(3) 0.1923(3) 0.0720(7) Uani 1 1 d . . .
F4 F 0.3846(3) 0.8702(3) 0.3132(2) 0.0700(7) Uani 1 1 d . . .
F5 F 0.5140(3) 0.5985(3) 0.3230(2) 0.0730(7) Uani 1 1 d . . .
F6 F 0.4812(4) 0.8749(3) 0.0926(3) 0.0751(8) 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
Ag1 N4 2.282(3) 2_656 y
Ag1 N2 2.366(3) . y
Ag1 N1 2.371(3) . y
Ag1 N3 2.498(3) 2_656 y
S1 C6 1.714(3) . ?
S1 C7 1.717(3) . ?
N1 C1 1.330(5) . ?
N1 C5 1.357(4) . ?
N2 C6 1.303(4) . ?
N2 N3 1.367(4) . ?
N3 C7 1.294(4) . ?
N3 Ag1 2.498(3) 2_656 ?
N4 C12 1.337(5) . ?
N4 C8 1.341(4) . ?
N4 Ag1 2.282(3) 2_656 ?
C1 C2 1.375(6) . ?
C1 H1 0.9500 . ?
C2 C3 1.367(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.394(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.366(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.470(5) . ?
C7 C8 1.474(5) . ?
C8 C9 1.375(5) . ?
C9 C10 1.376(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.366(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.380(6) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
As1 F5 1.700(2) . ?
As1 F6 1.708(2) . ?
As1 F2 1.709(2) . ?
As1 F4 1.711(2) . ?
As1 F1 1.715(2) . ?
As1 F3 1.717(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
N4 Ag1 N2 162.55(10) 2_656 . ?
N4 Ag1 N1 124.48(10) 2_656 . ?
N2 Ag1 N1 71.17(10) . . ?
N4 Ag1 N3 70.63(10) 2_656 2_656 ?
N2 Ag1 N3 95.93(10) . 2_656 ?
N1 Ag1 N3 161.21(10) . 2_656 ?
C6 S1 C7 87.10(16) . . ?
C1 N1 C5 117.1(3) . . ?
C1 N1 Ag1 127.0(3) . . ?
C5 N1 Ag1 115.8(2) . . ?
C6 N2 N3 113.1(3) . . ?
C6 N2 Ag1 112.5(2) . . ?
N3 N2 Ag1 130.3(2) . . ?
C7 N3 N2 112.0(3) . . ?
C7 N3 Ag1 108.6(2) . 2_656 ?
N2 N3 Ag1 133.7(2) . 2_656 ?
C12 N4 C8 117.4(3) . . ?
C12 N4 Ag1 122.8(3) . 2_656 ?
C8 N4 Ag1 119.3(2) . 2_656 ?
N1 C1 C2 123.9(4) . . ?
N1 C1 H1 118.1 . . ?
C2 C1 H1 118.1 . . ?
C3 C2 C1 118.3(3) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C2 C3 C4 119.4(4) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 118.5(4) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
N1 C5 C4 122.8(3) . . ?
N1 C5 C6 114.7(3) . . ?
C4 C5 C6 122.5(3) . . ?
N2 C6 C5 122.3(3) . . ?
N2 C6 S1 113.4(2) . . ?
C5 C6 S1 124.3(3) . . ?
N3 C7 C8 122.2(3) . . ?
N3 C7 S1 114.3(2) . . ?
C8 C7 S1 123.5(2) . . ?
N4 C8 C9 122.1(3) . . ?
N4 C8 C7 115.2(3) . . ?
C9 C8 C7 122.7(3) . . ?
C8 C9 C10 119.8(4) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C11 C10 C9 118.7(4) . . ?
C11 C10 H10 120.7 . . ?
C9 C10 H10 120.7 . . ?
C10 C11 C12 118.7(4) . . ?
C10 C11 H11 120.7 . . ?
C12 C11 H11 120.7 . . ?
N4 C12 C11 123.4(4) . . ?
N4 C12 H12 118.3 . . ?
C11 C12 H12 118.3 . . ?
F5 As1 F6 178.96(15) . . ?
F5 As1 F2 89.86(14) . . ?
F6 As1 F2 89.57(14) . . ?
F5 As1 F4 90.98(14) . . ?
F6 As1 F4 89.59(14) . . ?
F2 As1 F4 179.15(13) . . ?
F5 As1 F1 90.67(14) . . ?
F6 As1 F1 90.19(15) . . ?
F2 As1 F1 89.38(14) . . ?
F4 As1 F1 90.48(13) . . ?
F5 As1 F3 88.94(14) . . ?
F6 As1 F3 90.19(14) . . ?
F2 As1 F3 90.89(14) . . ?
F4 As1 F3 89.25(13) . . ?
F1 As1 F3 179.53(13) . . ?

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
N4 Ag1 N1 C1 -1.7(4) 2_656 . . . ?
N2 Ag1 N1 C1 169.6(3) . . . . ?
N3 Ag1 N1 C1 -142.0(3) 2_656 . . . ?
N4 Ag1 N1 C5 -178.4(2) 2_656 . . . ?
N2 Ag1 N1 C5 -7.1(2) . . . . ?
N3 Ag1 N1 C5 41.3(5) 2_656 . . . ?
N4 Ag1 N2 C6 170.5(3) 2_656 . . . ?
N1 Ag1 N2 C6 15.0(2) . . . . ?
N3 Ag1 N2 C6 -151.0(2) 2_656 . . . ?
N4 Ag1 N2 N3 -34.5(5) 2_656 . . . ?
N1 Ag1 N2 N3 170.1(3) . . . . ?
N3 Ag1 N2 N3 4.1(3) 2_656 . . . ?
C6 N2 N3 C7 -0.2(4) . . . . ?
Ag1 N2 N3 C7 -155.2(3) . . . . ?
C6 N2 N3 Ag1 149.3(3) . . . 2_656 ?
Ag1 N2 N3 Ag1 -5.6(5) . . . 2_656 ?
C5 N1 C1 C2 0.3(6) . . . . ?
Ag1 N1 C1 C2 -176.4(3) . . . . ?
N1 C1 C2 C3 -0.5(6) . . . . ?
C1 C2 C3 C4 0.6(6) . . . . ?
C2 C3 C4 C5 -0.5(6) . . . . ?
C1 N1 C5 C4 -0.1(5) . . . . ?
Ag1 N1 C5 C4 176.9(3) . . . . ?
C1 N1 C5 C6 -177.9(3) . . . . ?
Ag1 N1 C5 C6 -0.9(4) . . . . ?
C3 C4 C5 N1 0.2(5) . . . . ?
C3 C4 C5 C6 177.8(3) . . . . ?
N3 N2 C6 C5 177.8(3) . . . . ?
Ag1 N2 C6 C5 -22.6(4) . . . . ?
N3 N2 C6 S1 -0.2(4) . . . . ?
Ag1 N2 C6 S1 159.30(16) . . . . ?
N1 C5 C6 N2 16.6(5) . . . . ?
C4 C5 C6 N2 -161.2(4) . . . . ?
N1 C5 C6 S1 -165.6(3) . . . . ?
C4 C5 C6 S1 16.6(5) . . . . ?
C7 S1 C6 N2 0.4(3) . . . . ?
C7 S1 C6 C5 -177.6(3) . . . . ?
N2 N3 C7 C8 -179.4(3) . . . . ?
Ag1 N3 C7 C8 23.4(4) 2_656 . . . ?
N2 N3 C7 S1 0.6(4) . . . . ?
Ag1 N3 C7 S1 -156.65(16) 2_656 . . . ?
C6 S1 C7 N3 -0.6(3) . . . . ?
C6 S1 C7 C8 179.4(3) . . . . ?
C12 N4 C8 C9 -1.0(5) . . . . ?
Ag1 N4 C8 C9 -172.9(3) 2_656 . . . ?
C12 N4 C8 C7 177.3(3) . . . . ?
Ag1 N4 C8 C7 5.5(4) 2_656 . . . ?
N3 C7 C8 N4 -21.3(5) . . . . ?
S1 C7 C8 N4 158.7(3) . . . . ?
N3 C7 C8 C9 157.0(4) . . . . ?
S1 C7 C8 C9 -23.0(5) . . . . ?
N4 C8 C9 C10 0.8(6) . . . . ?
C7 C8 C9 C10 -177.4(3) . . . . ?
C8 C9 C10 C11 -0.3(6) . . . . ?
C9 C10 C11 C12 -0.1(6) . . . . ?
C8 N4 C12 C11 0.7(6) . . . . ?
Ag1 N4 C12 C11 172.2(3) 2_656 . . . ?
C10 C11 C12 N4 -0.2(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         0.821
_refine_diff_density_min         -0.658
_refine_diff_density_rms         0.114


data_9
_database_code_depnum_ccdc_archive 'CCDC 706601'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C49 H36 Ag4 N20 O13 S4'
_chemical_formula_weight         1672.70

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   7.8745(14)
_cell_length_b                   14.061(2)
_cell_length_c                   14.463(3)
_cell_angle_alpha                68.322(3)
_cell_angle_beta                 86.714(3)
_cell_angle_gamma                88.930(3)
_cell_volume                     1485.7(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      25.50

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.870
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             826
_exptl_absorpt_coefficient_mu    1.519
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7409
_exptl_absorpt_correction_T_max  0.8754
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8388
_diffrn_reflns_av_R_equivalents  0.0162
_diffrn_reflns_av_sigmaI/netI    0.0317
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.55
_diffrn_reflns_theta_max         25.50
_reflns_number_total             5460
_reflns_number_gt                4144
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of 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. O Atoms of NO3⁻anion are
disordered over two positions and all N-O bond lengths were restrained
to a target value of 1.24(1) Å. Displacement parameters for disordered
O atoms were also subjected to restraints. The bond lengths C25-O7 was
restrained to target values of 1.42(1) Å.
;

_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)+(0.0684P)²+3.0570P] 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         5460
_refine_ls_number_parameters     433
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0467
_refine_ls_wR_factor_ref         0.1406
_refine_ls_wR_factor_gt          0.1293
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.74544(7) 0.20665(3) 0.32824(4) 0.06657(19) Uani 1 1 d . . .
Ag2 Ag 0.44335(7) 0.20670(3) 0.63469(4) 0.06861(19) Uani 1 1 d . . .
N1 N 0.4409(6) 0.0466(4) 0.7677(3) 0.0578(12) Uani 1 1 d . . .
N2 N 0.5977(6) 0.0755(3) 0.5840(3) 0.0547(11) Uani 1 1 d . . .
N3 N 0.6803(6) 0.0753(3) 0.4985(3) 0.0541(11) Uani 1 1 d . . .
N4 N 0.8539(6) 0.0474(4) 0.3391(3) 0.0546(11) Uani 1 1 d . . .
N5 N 0.2626(6) 0.3485(4) 0.6086(4) 0.0610(12) Uani 1 1 d . . .
N6 N 0.4661(6) 0.3256(3) 0.4563(3) 0.0573(12) Uani 1 1 d . . .
N7 N 0.5520(6) 0.3261(4) 0.3710(4) 0.0594(12) Uani 1 1 d . . .
N8 N 0.6870(7) 0.3480(4) 0.1845(4) 0.0670(13) Uani 1 1 d . . .
N9 N 1.1071(7) 0.3170(4) 0.2451(4) 0.0653(13) Uani 1 1 d D . .
N10 N 0.6520(9) 0.2623(4) 0.7955(5) 0.0777(16) Uani 1 1 d D . .
O1 O 1.0327(6) 0.2902(4) 0.3268(4) 0.0794(13) Uani 1 1 d . A .
O2 O 1.1201(16) 0.2626(9) 0.1955(10) 0.103(3) Uani 0.734(9) 1 d PD A 1
O3 O 1.211(2) 0.3828(13) 0.2149(11) 0.206(9) Uani 0.734(9) 1 d PD A 1
O2' O 1.057(5) 0.274(3) 0.191(3) 0.103(3) Uani 0.266(9) 1 d PD A 2
O3' O 1.119(3) 0.4122(7) 0.2129(19) 0.064(6) Uani 0.266(9) 1 d PD A 2
O4 O 0.7000(7) 0.2631(4) 0.7113(5) 0.0957(16) Uani 1 1 d . A .
O5 O 0.7365(11) 0.2845(7) 0.8560(6) 0.105(3) Uani 0.734(9) 1 d PD A 1
O5' O 0.792(2) 0.2228(18) 0.8269(16) 0.105(3) Uani 0.266(9) 1 d PD A 2
O6 O 0.5018(9) 0.2615(4) 0.8168(4) 0.1029(18) Uani 1 1 d . A .
O7 O 0.0313(12) 0.1684(9) 0.9042(8) 0.093(3) Uani 0.50 1 d PD . .
H7 H -0.0399 0.2112 0.8715 0.139 Uiso 0.50 1 calc PR . .
S1 S 0.7017(2) -0.10631(11) 0.62325(11) 0.0561(4) Uani 1 1 d . . .
S2 S 0.4083(2) 0.49859(11) 0.32381(11) 0.0583(4) Uani 1 1 d . . .
C1 C 0.3670(9) 0.0342(5) 0.8564(5) 0.0728(18) Uani 1 1 d . . .
H1 H 0.3089 0.0902 0.8654 0.087 Uiso 1 1 calc R . .
C2 C 0.3725(10) -0.0587(6) 0.9361(5) 0.079(2) Uani 1 1 d . . .
H2 H 0.3196 -0.0656 0.9990 0.094 Uiso 1 1 calc R . .
C3 C 0.4536(9) -0.1391(6) 0.9239(5) 0.0757(19) Uani 1 1 d . . .
H3 H 0.4574 -0.2034 0.9773 0.091 Uiso 1 1 calc R . .
C4 C 0.5303(9) -0.1253(5) 0.8322(5) 0.0671(16) Uani 1 1 d . . .
H4A H 0.5901 -0.1802 0.8218 0.080 Uiso 1 1 calc R . .
C5 C 0.5206(7) -0.0327(4) 0.7559(4) 0.0502(12) Uani 1 1 d . . .
C6 C 0.5988(7) -0.0140(4) 0.6560(4) 0.0489(12) Uani 1 1 d . . .
C7 C 0.7412(6) -0.0141(4) 0.5073(4) 0.0460(12) Uani 1 1 d . . .
C8 C 0.8375(7) -0.0336(4) 0.4261(4) 0.0499(12) Uani 1 1 d . . .
C9 C 0.9108(8) -0.1260(5) 0.4385(5) 0.0642(16) Uani 1 1 d . . .
H9 H 0.8980 -0.1815 0.5006 0.077 Uiso 1 1 calc R . .
C10 C 1.0040(8) -0.1375(5) 0.3592(5) 0.0695(17) Uani 1 1 d . . .
H10 H 1.0564 -0.2011 0.3663 0.083 Uiso 1 1 calc R . .
C11 C 1.0194(8) -0.0575(6) 0.2719(6) 0.0731(19) Uani 1 1 d . . .
H11 H 1.0821 -0.0641 0.2165 0.088 Uiso 1 1 calc R . .
C12 C 0.9429(8) 0.0347(5) 0.2636(5) 0.0676(16) Uani 1 1 d . . .
H12 H 0.9546 0.0909 0.2018 0.081 Uiso 1 1 calc R . .
C13 C 0.1689(9) 0.3616(5) 0.6823(5) 0.0707(17) Uani 1 1 d . . .
H13 H 0.1502 0.3043 0.7427 0.085 Uiso 1 1 calc R . .
C14 C 0.0968(9) 0.4546(6) 0.6758(6) 0.0752(19) Uani 1 1 d . . .
H14 H 0.0295 0.4604 0.7301 0.090 Uiso 1 1 calc R . .
C15 C 0.1249(8) 0.5378(5) 0.5894(5) 0.0677(17) Uani 1 1 d . . .
H15 H 0.0806 0.6030 0.5834 0.081 Uiso 1 1 calc R . .
C16 C 0.2183(7) 0.5249(5) 0.5118(5) 0.0596(14) Uani 1 1 d . . .
H16 H 0.2377 0.5810 0.4506 0.072 Uiso 1 1 calc R . .
C17 C 0.2840(7) 0.4293(4) 0.5238(4) 0.0517(13) Uani 1 1 d . . .
C18 C 0.3833(7) 0.4116(4) 0.4423(4) 0.0513(13) Uani 1 1 d . . .
C19 C 0.5331(7) 0.4115(4) 0.2959(4) 0.0508(12) Uani 1 1 d . . .
C20 C 0.6142(8) 0.4309(4) 0.1954(4) 0.0566(14) Uani 1 1 d . . .
C21 C 0.6155(9) 0.5256(5) 0.1214(5) 0.0738(18) Uani 1 1 d . . .
H21 H 0.5630 0.5817 0.1332 0.089 Uiso 1 1 calc R . .
C22 C 0.6931(10) 0.5396(5) 0.0296(5) 0.081(2) Uani 1 1 d . . .
H22 H 0.6949 0.6050 -0.0228 0.097 Uiso 1 1 calc R . .
C23 C 0.7677(10) 0.4566(6) 0.0158(5) 0.085(2) Uani 1 1 d . . .
H23 H 0.8211 0.4629 -0.0467 0.103 Uiso 1 1 calc R . .
C24 C 0.7634(10) 0.3629(6) 0.0956(5) 0.082(2) Uani 1 1 d . . .
H24 H 0.8182 0.3062 0.0860 0.098 Uiso 1 1 calc R . .
C25 C 0.0840(18) 0.1964(14) 0.9803(9) 0.098(6) Uani 0.50 1 d PD . .
H25A H 0.1517 0.2593 0.9520 0.148 Uiso 0.50 1 calc PR . .
H25B H 0.1534 0.1415 1.0244 0.148 Uiso 0.50 1 calc PR . .
H25C H -0.0156 0.2080 1.0185 0.148 Uiso 0.50 1 calc PR . .


_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 N4 2.335(5) . ?
Ag1 N8 2.347(5) . ?
Ag1 N7 2.467(5) . ?
Ag1 N3 2.504(5) . ?
Ag2 N1 2.360(5) . ?
Ag2 N5 2.355(5) . ?
Ag2 N6 2.501(5) . ?
Ag2 N2 2.497(5) . ?
N1 C1 1.329(7) . ?
N1 C5 1.330(7) . ?
N2 C6 1.304(7) . ?
N2 N3 1.364(6) . ?
N3 C7 1.300(7) . ?
N4 C12 1.329(7) . ?
N4 C8 1.350(7) . ?
N5 C13 1.328(7) . ?
N5 C17 1.334(7) . ?
N6 C18 1.317(7) . ?
N6 N7 1.370(6) . ?
N7 C19 1.301(7) . ?
N8 C24 1.334(8) . ?
N8 C20 1.346(7) . ?
N9 O3 1.186(8) . ?
N9 O1 1.218(6) . ?
N9 O2 1.226(7) . ?
N9 O2' 1.231(10) . ?
N9 O3' 1.248(9) . ?
N10 O6 1.204(8) . ?
N10 O4 1.251(8) . ?
N10 O5' 1.256(10) . ?
N10 O5 1.258(7) . ?
O4 O5' 1.751(19) . ?
O7 C25 1.384(9) . ?
O7 H7 0.8400 . ?
S1 C7 1.715(5) . ?
S1 C6 1.713(5) . ?
S2 C18 1.701(6) . ?
S2 C19 1.704(5) . ?
C1 C2 1.388(10) . ?
C1 H1 0.9500 . ?
C2 C3 1.351(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.373(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.365(8) . ?
C4 H4A 0.9500 . ?
C5 C6 1.469(7) . ?
C7 C8 1.469(7) . ?
C8 C9 1.365(8) . ?
C9 C10 1.385(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.347(10) . ?
C10 H10 0.9500 . ?
C11 C12 1.387(9) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.389(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.370(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.373(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.471(8) . ?
C19 C20 1.484(8) . ?
C20 C21 1.366(8) . ?
C21 C22 1.376(9) . ?
C21 H21 0.9500 . ?
C22 C23 1.371(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.394(10) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?

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
N4 Ag1 N8 128.25(17) . . ?
N4 Ag1 N7 156.21(16) . . ?
N8 Ag1 N7 69.64(17) . . ?
N4 Ag1 N3 69.48(15) . . ?
N8 Ag1 N3 155.22(17) . . ?
N7 Ag1 N3 88.98(15) . . ?
N1 Ag2 N5 129.76(17) . . ?
N1 Ag2 N6 155.78(16) . . ?
N5 Ag2 N6 69.26(16) . . ?
N1 Ag2 N2 69.09(16) . . ?
N5 Ag2 N2 154.10(17) . . ?
N6 Ag2 N2 88.37(15) . . ?
C1 N1 C5 118.5(5) . . ?
C1 N1 Ag2 121.5(4) . . ?
C5 N1 Ag2 119.9(4) . . ?
C6 N2 N3 112.5(4) . . ?
C6 N2 Ag2 112.4(4) . . ?
N3 N2 Ag2 135.0(3) . . ?
C7 N3 N2 112.8(4) . . ?
C7 N3 Ag1 111.9(3) . . ?
N2 N3 Ag1 135.2(3) . . ?
C12 N4 C8 117.9(5) . . ?
C12 N4 Ag1 121.9(4) . . ?
C8 N4 Ag1 120.0(4) . . ?
C13 N5 C17 117.3(5) . . ?
C13 N5 Ag2 122.3(4) . . ?
C17 N5 Ag2 118.5(4) . . ?
C18 N6 N7 112.2(4) . . ?
C18 N6 Ag2 111.9(4) . . ?
N7 N6 Ag2 135.8(3) . . ?
C19 N7 N6 112.5(5) . . ?
C19 N7 Ag1 112.4(4) . . ?
N6 N7 Ag1 135.0(3) . . ?
C24 N8 C20 116.0(6) . . ?
C24 N8 Ag1 122.7(4) . . ?
C20 N8 Ag1 118.5(4) . . ?
O3 N9 O1 124.8(10) . . ?
O3 N9 O2 109.2(13) . . ?
O1 N9 O2 123.1(9) . . ?
O3 N9 O2' 121(3) . . ?
O1 N9 O2' 114(3) . . ?
O2 N9 O2' 24.3(16) . . ?
O3 N9 O3' 39.5(12) . . ?
O1 N9 O3' 107.3(12) . . ?
O2 N9 O3' 126.5(14) . . ?
O2' N9 O3' 120(2) . . ?
O6 N10 O4 118.9(6) . . ?
O6 N10 O5' 143.8(13) . . ?
O4 N10 O5' 88.6(12) . . ?
O6 N10 O5 111.0(8) . . ?
O4 N10 O5 128.2(8) . . ?
O5' N10 O5 55.1(11) . . ?
N10 O4 O5' 45.8(6) . . ?
N10 O5' O4 45.6(7) . . ?
C25 O7 H7 109.5 . . ?
C7 S1 C6 87.4(3) . . ?
C18 S2 C19 88.0(3) . . ?
N1 C1 C2 121.6(6) . . ?
N1 C1 H1 119.2 . . ?
C2 C1 H1 119.2 . . ?
C3 C2 C1 119.7(6) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 118.3(6) . . ?
C2 C3 H3 120.9 . . ?
C4 C3 H3 120.9 . . ?
C5 C4 C3 119.9(6) . . ?
C5 C4 H4A 120.1 . . ?
C3 C4 H4A 120.1 . . ?
N1 C5 C4 122.0(5) . . ?
N1 C5 C6 115.8(5) . . ?
C4 C5 C6 122.2(5) . . ?
N2 C6 C5 122.8(5) . . ?
N2 C6 S1 113.6(4) . . ?
C5 C6 S1 123.6(4) . . ?
N3 C7 C8 123.2(5) . . ?
N3 C7 S1 113.6(4) . . ?
C8 C7 S1 123.2(4) . . ?
N4 C8 C9 122.2(5) . . ?
N4 C8 C7 115.3(5) . . ?
C9 C8 C7 122.4(5) . . ?
C8 C9 C10 119.1(6) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
C11 C10 C9 119.1(6) . . ?
C11 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
C10 C11 C12 119.4(6) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
N4 C12 C11 122.3(6) . . ?
N4 C12 H12 118.8 . . ?
C11 C12 H12 118.8 . . ?
N5 C13 C14 123.4(7) . . ?
N5 C13 H13 118.3 . . ?
C14 C13 H13 118.3 . . ?
C15 C14 C13 118.6(6) . . ?
C15 C14 H14 120.7 . . ?
C13 C14 H14 120.7 . . ?
C14 C15 C16 118.6(6) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
C15 C16 C17 119.3(6) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
N5 C17 C16 122.7(5) . . ?
N5 C17 C18 116.1(5) . . ?
C16 C17 C18 121.2(5) . . ?
N6 C18 C17 122.0(5) . . ?
N6 C18 S2 113.4(4) . . ?
C17 C18 S2 124.6(4) . . ?
N7 C19 C20 122.7(5) . . ?
N7 C19 S2 113.9(4) . . ?
C20 C19 S2 123.3(4) . . ?
N8 C20 C21 123.5(6) . . ?
N8 C20 C19 114.3(5) . . ?
C21 C20 C19 122.2(5) . . ?
C20 C21 C22 119.9(6) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C23 C22 C21 118.1(6) . . ?
C23 C22 H22 121.0 . . ?
C21 C22 H22 121.0 . . ?
C22 C23 C24 118.6(6) . . ?
C22 C23 H23 120.7 . . ?
C24 C23 H23 120.7 . . ?
N8 C24 C23 123.9(7) . . ?
N8 C24 H24 118.1 . . ?
C23 C24 H24 118.1 . . ?
O7 C25 H25A 109.5 . . ?
O7 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O7 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N5 Ag2 N1 C1 -21.9(6) . . . . ?
N6 Ag2 N1 C1 -158.5(5) . . . . ?
N2 Ag2 N1 C1 178.9(5) . . . . ?
N5 Ag2 N1 C5 160.9(4) . . . . ?
N6 Ag2 N1 C5 24.3(7) . . . . ?
N2 Ag2 N1 C5 1.7(4) . . . . ?
N1 Ag2 N2 C6 -0.1(4) . . . . ?
N5 Ag2 N2 C6 -141.4(4) . . . . ?
N6 Ag2 N2 C6 -171.0(4) . . . . ?
N1 Ag2 N2 N3 179.5(5) . . . . ?
N5 Ag2 N2 N3 38.1(7) . . . . ?
N6 Ag2 N2 N3 8.5(5) . . . . ?
C6 N2 N3 C7 0.3(7) . . . . ?
Ag2 N2 N3 C7 -179.2(4) . . . . ?
C6 N2 N3 Ag1 -179.0(4) . . . . ?
Ag2 N2 N3 Ag1 1.5(8) . . . . ?
N4 Ag1 N3 C7 0.9(4) . . . . ?
N8 Ag1 N3 C7 140.9(4) . . . . ?
N7 Ag1 N3 C7 170.6(4) . . . . ?
N4 Ag1 N3 N2 -179.8(5) . . . . ?
N8 Ag1 N3 N2 -39.8(7) . . . . ?
N7 Ag1 N3 N2 -10.1(5) . . . . ?
N8 Ag1 N4 C12 22.6(6) . . . . ?
N7 Ag1 N4 C12 156.2(5) . . . . ?
N3 Ag1 N4 C12 -177.4(5) . . . . ?
N8 Ag1 N4 C8 -162.2(4) . . . . ?
N7 Ag1 N4 C8 -28.6(7) . . . . ?
N3 Ag1 N4 C8 -2.2(4) . . . . ?
N1 Ag2 N5 C13 19.9(6) . . . . ?
N6 Ag2 N5 C13 -177.7(5) . . . . ?
N2 Ag2 N5 C13 150.5(5) . . . . ?
N1 Ag2 N5 C17 -176.2(4) . . . . ?
N6 Ag2 N5 C17 -13.7(4) . . . . ?
N2 Ag2 N5 C17 -45.6(6) . . . . ?
N1 Ag2 N6 C18 153.7(4) . . . . ?
N5 Ag2 N6 C18 8.1(4) . . . . ?
N2 Ag2 N6 C18 174.8(4) . . . . ?
N1 Ag2 N6 N7 -31.4(8) . . . . ?
N5 Ag2 N6 N7 -177.0(6) . . . . ?
N2 Ag2 N6 N7 -10.4(5) . . . . ?
C18 N6 N7 C19 0.4(7) . . . . ?
Ag2 N6 N7 C19 -174.5(4) . . . . ?
C18 N6 N7 Ag1 176.7(4) . . . . ?
Ag2 N6 N7 Ag1 1.8(9) . . . . ?
N4 Ag1 N7 C19 -150.7(4) . . . . ?
N8 Ag1 N7 C19 -8.1(4) . . . . ?
N3 Ag1 N7 C19 -175.3(4) . . . . ?
N4 Ag1 N7 N6 33.0(8) . . . . ?
N8 Ag1 N7 N6 175.6(6) . . . . ?
N3 Ag1 N7 N6 8.4(5) . . . . ?
N4 Ag1 N8 C24 -23.9(7) . . . . ?
N7 Ag1 N8 C24 174.2(6) . . . . ?
N3 Ag1 N8 C24 -153.9(5) . . . . ?
N4 Ag1 N8 C20 175.8(4) . . . . ?
N7 Ag1 N8 C20 14.0(4) . . . . ?
N3 Ag1 N8 C20 45.8(7) . . . . ?
O6 N10 O4 O5' -155.4(14) . . . . ?
O5 N10 O4 O5' 41.7(13) . . . . ?
O6 N10 O5' O4 142(2) . . . . ?
O5 N10 O5' O4 -140.4(11) . . . . ?
C5 N1 C1 C2 0.5(10) . . . . ?
Ag2 N1 C1 C2 -176.8(5) . . . . ?
N1 C1 C2 C3 -0.5(11) . . . . ?
C1 C2 C3 C4 0.9(11) . . . . ?
C2 C3 C4 C5 -1.2(11) . . . . ?
C1 N1 C5 C4 -0.8(9) . . . . ?
Ag2 N1 C5 C4 176.5(5) . . . . ?
C1 N1 C5 C6 179.7(5) . . . . ?
Ag2 N1 C5 C6 -3.0(7) . . . . ?
C3 C4 C5 N1 1.2(10) . . . . ?
C3 C4 C5 C6 -179.3(6) . . . . ?
N3 N2 C6 C5 178.9(5) . . . . ?
Ag2 N2 C6 C5 -1.5(7) . . . . ?
N3 N2 C6 S1 -0.3(6) . . . . ?
Ag2 N2 C6 S1 179.3(2) . . . . ?
N1 C5 C6 N2 3.0(8) . . . . ?
C4 C5 C6 N2 -176.5(6) . . . . ?
N1 C5 C6 S1 -177.8(4) . . . . ?
C4 C5 C6 S1 2.7(8) . . . . ?
C7 S1 C6 N2 0.2(4) . . . . ?
C7 S1 C6 C5 -179.0(5) . . . . ?
N2 N3 C7 C8 -179.1(5) . . . . ?
Ag1 N3 C7 C8 0.4(6) . . . . ?
N2 N3 C7 S1 -0.2(6) . . . . ?
Ag1 N3 C7 S1 179.3(2) . . . . ?
C6 S1 C7 N3 0.0(4) . . . . ?
C6 S1 C7 C8 178.9(5) . . . . ?
C12 N4 C8 C9 0.9(8) . . . . ?
Ag1 N4 C8 C9 -174.5(4) . . . . ?
C12 N4 C8 C7 178.6(5) . . . . ?
Ag1 N4 C8 C7 3.2(6) . . . . ?
N3 C7 C8 N4 -2.3(8) . . . . ?
S1 C7 C8 N4 178.8(4) . . . . ?
N3 C7 C8 C9 175.3(5) . . . . ?
S1 C7 C8 C9 -3.5(8) . . . . ?
N4 C8 C9 C10 -0.5(9) . . . . ?
C7 C8 C9 C10 -178.0(5) . . . . ?
C8 C9 C10 C11 -0.2(10) . . . . ?
C9 C10 C11 C12 0.5(10) . . . . ?
C8 N4 C12 C11 -0.6(9) . . . . ?
Ag1 N4 C12 C11 174.7(5) . . . . ?
C10 C11 C12 N4 -0.1(11) . . . . ?
C17 N5 C13 C14 -1.5(10) . . . . ?
Ag2 N5 C13 C14 162.6(5) . . . . ?
N5 C13 C14 C15 -0.7(11) . . . . ?
C13 C14 C15 C16 2.1(10) . . . . ?
C14 C15 C16 C17 -1.3(9) . . . . ?
C13 N5 C17 C16 2.4(9) . . . . ?
Ag2 N5 C17 C16 -162.3(4) . . . . ?
C13 N5 C17 C18 -177.9(5) . . . . ?
Ag2 N5 C17 C18 17.4(6) . . . . ?
C15 C16 C17 N5 -1.0(9) . . . . ?
C15 C16 C17 C18 179.3(5) . . . . ?
N7 N6 C18 C17 -179.0(5) . . . . ?
Ag2 N6 C18 C17 -2.9(7) . . . . ?
N7 N6 C18 S2 -0.7(6) . . . . ?
Ag2 N6 C18 S2 175.4(2) . . . . ?
N5 C17 C18 N6 -9.2(8) . . . . ?
C16 C17 C18 N6 170.5(5) . . . . ?
N5 C17 C18 S2 172.7(4) . . . . ?
C16 C17 C18 S2 -7.6(8) . . . . ?
C19 S2 C18 N6 0.6(5) . . . . ?
C19 S2 C18 C17 178.9(5) . . . . ?
N6 N7 C19 C20 179.7(5) . . . . ?
Ag1 N7 C19 C20 2.5(7) . . . . ?
N6 N7 C19 S2 0.1(7) . . . . ?
Ag1 N7 C19 S2 -177.0(2) . . . . ?
C18 S2 C19 N7 -0.4(5) . . . . ?
C18 S2 C19 C20 180.0(5) . . . . ?
C24 N8 C20 C21 0.2(10) . . . . ?
Ag1 N8 C20 C21 161.7(5) . . . . ?
C24 N8 C20 C19 -179.1(6) . . . . ?
Ag1 N8 C20 C19 -17.5(7) . . . . ?
N7 C19 C20 N8 9.6(8) . . . . ?
S2 C19 C20 N8 -170.8(5) . . . . ?
N7 C19 C20 C21 -169.7(6) . . . . ?
S2 C19 C20 C21 9.9(9) . . . . ?
N8 C20 C21 C22 0.6(11) . . . . ?
C19 C20 C21 C22 179.8(6) . . . . ?
C20 C21 C22 C23 -0.2(12) . . . . ?
C21 C22 C23 C24 -0.9(12) . . . . ?
C20 N8 C24 C23 -1.4(11) . . . . ?
Ag1 N8 C24 C23 -162.1(6) . . . . ?
C22 C23 C24 N8 1.8(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
O7 H7 O5 0.84 2.00 2.782(13) 153.4 1_455

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         0.917
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.107

data_10
_database_code_depnum_ccdc_archive 'CCDC 706602'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H16 Ag F6 N8 S2 Sb'
_chemical_formula_weight         824.19

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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'

_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                   7.4577(8)
_cell_length_b                   7.5306(8)
_cell_length_c                   12.8304(13)
_cell_angle_alpha                101.086(2)
_cell_angle_beta                 92.947(2)
_cell_angle_gamma                90.682(2)
_cell_volume                     706.01(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.74
_cell_measurement_theta_max      25.50

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             400
_exptl_absorpt_coefficient_mu    1.869
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4374
_exptl_absorpt_correction_T_max  0.6949
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            3953
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_av_sigmaI/netI    0.0302
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.74
_diffrn_reflns_theta_max         25.50
_reflns_number_total             2585
_reflns_number_gt                2322
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of 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)+(0.0633P)²+0.3498P] 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         2585
_refine_ls_number_parameters     193
_refine_ls_number_restraints     234
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0405
_refine_ls_wR_factor_ref         0.1080
_refine_ls_wR_factor_gt          0.1043
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.071
_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
Ag1 Ag 0.5000 0.5000 0.5000 0.0889(2) Uani 1 2 d SU . .
N1 N 0.5873(4) 0.5047(4) 0.3199(3) 0.0614(7) Uani 1 1 d U . .
N2 N 0.6421(4) 0.7717(4) 0.4953(2) 0.0505(6) Uani 1 1 d U . .
N3 N 0.6798(4) 0.9130(4) 0.5779(2) 0.0529(6) Uani 1 1 d U . .
N4 N 0.8607(4) 1.3515(4) 0.5665(2) 0.0557(6) Uani 1 1 d U . .
S1 S 0.77691(10) 1.01430(11) 0.40996(7) 0.0494(2) Uani 1 1 d U . .
C1 C 0.5601(6) 0.3729(6) 0.2341(4) 0.0780(11) Uani 1 1 d U . .
H1 H 0.5117 0.2599 0.2431 0.094 Uiso 1 1 calc R . .
C2 C 0.5989(6) 0.3937(7) 0.1342(4) 0.0848(13) Uani 1 1 d U . .
H2 H 0.5795 0.2963 0.0754 0.102 Uiso 1 1 calc R . .
C3 C 0.6657(6) 0.5560(7) 0.1202(4) 0.0843(13) Uani 1 1 d U . .
H3 H 0.6921 0.5734 0.0512 0.101 Uiso 1 1 calc R . .
C4 C 0.6946(5) 0.6947(6) 0.2068(3) 0.0668(9) Uani 1 1 d U . .
H4 H 0.7410 0.8089 0.1987 0.080 Uiso 1 1 calc R . .
C5 C 0.6544(4) 0.6637(4) 0.3057(3) 0.0495(7) Uani 1 1 d U . .
C6 C 0.6851(4) 0.8017(4) 0.4035(2) 0.0450(6) Uani 1 1 d U . .
C7 C 0.7515(4) 1.0496(4) 0.5453(2) 0.0449(6) Uani 1 1 d U . .
C8 C 0.8062(4) 1.2210(4) 0.6163(3) 0.0472(6) Uani 1 1 d U . .
C9 C 0.8014(5) 1.2408(5) 0.7246(3) 0.0606(8) Uani 1 1 d U . .
H9 H 0.7632 1.1438 0.7564 0.073 Uiso 1 1 calc R . .
C10 C 0.8542(6) 1.4073(6) 0.7862(3) 0.0736(10) Uani 1 1 d U . .
H10 H 0.8516 1.4269 0.8615 0.088 Uiso 1 1 calc R . .
C11 C 0.9100(5) 1.5431(6) 0.7372(3) 0.0705(10) Uani 1 1 d U . .
H11 H 0.9466 1.6581 0.7778 0.085 Uiso 1 1 calc R . .
C12 C 0.9118(5) 1.5097(5) 0.6284(3) 0.0626(9) Uani 1 1 d U . .
H12 H 0.9515 1.6043 0.5951 0.075 Uiso 1 1 calc R . .
Sb1 Sb 1.0000 1.0000 1.0000 0.07051(18) Uani 1 2 d SU . .
F1 F 1.0840(5) 0.9605(4) 0.8641(2) 0.1139(11) Uani 1 1 d U . .
F2 F 0.9894(7) 0.7537(4) 0.9937(3) 0.1499(17) Uani 1 1 d U . .
F3 F 0.7700(6) 0.9938(9) 0.9411(4) 0.186(2) Uani 1 1 d U . .


_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 N2 2.305(3) 2_666 ?
Ag1 N2 2.305(3) . ?
Ag1 N1 2.440(3) 2_666 ?
Ag1 N1 2.440(3) . ?
N1 C1 1.338(5) . ?
N1 C5 1.340(4) . ?
N2 C6 1.297(4) . ?
N2 N3 1.365(4) . ?
N3 C7 1.302(4) . ?
N4 C12 1.338(5) . ?
N4 C8 1.341(4) . ?
S1 C6 1.720(3) . ?
S1 C7 1.726(3) . ?
C1 C2 1.365(7) . ?
C1 H1 0.9500 . ?
C2 C3 1.361(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.377(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.472(4) . ?
C7 C8 1.469(4) . ?
C8 C9 1.371(5) . ?
C9 C10 1.388(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.371(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.370(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
Sb1 F3 1.835(4) . ?
Sb1 F3 1.835(4) 2_777 ?
Sb1 F2 1.841(3) . ?
Sb1 F2 1.841(3) 2_777 ?
Sb1 F1 1.854(3) 2_777 ?
Sb1 F1 1.854(3) . ?

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 Ag1 N2 180.0 2_666 . ?
N2 Ag1 N1 70.01(10) 2_666 2_666 ?
N2 Ag1 N1 109.99(10) . 2_666 ?
N2 Ag1 N1 109.99(10) 2_666 . ?
N2 Ag1 N1 70.01(10) . . ?
N1 Ag1 N1 180.0 2_666 . ?
C1 N1 C5 117.8(4) . . ?
C1 N1 Ag1 127.0(3) . . ?
C5 N1 Ag1 114.9(2) . . ?
C6 N2 N3 114.3(3) . . ?
C6 N2 Ag1 117.8(2) . . ?
N3 N2 Ag1 127.9(2) . . ?
C7 N3 N2 111.3(3) . . ?
C12 N4 C8 116.5(3) . . ?
C6 S1 C7 86.97(15) . . ?
N1 C1 C2 122.9(4) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C3 C2 C1 119.0(4) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 119.5(4) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 118.4(4) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
N1 C5 C4 122.3(3) . . ?
N1 C5 C6 115.1(3) . . ?
C4 C5 C6 122.5(3) . . ?
N2 C6 C5 121.6(3) . . ?
N2 C6 S1 113.1(2) . . ?
C5 C6 S1 125.3(2) . . ?
N3 C7 C8 123.6(3) . . ?
N3 C7 S1 114.4(2) . . ?
C8 C7 S1 122.0(2) . . ?
N4 C8 C9 124.1(3) . . ?
N4 C8 C7 114.7(3) . . ?
C9 C8 C7 121.2(3) . . ?
C8 C9 C10 117.8(4) . . ?
C8 C9 H9 121.1 . . ?
C10 C9 H9 121.1 . . ?
C11 C10 C9 119.3(4) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C12 C11 C10 118.7(4) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
N4 C12 C11 123.7(4) . . ?
N4 C12 H12 118.1 . . ?
C11 C12 H12 118.1 . . ?
F3 Sb1 F3 180.000(2) . 2_777 ?
F3 Sb1 F2 90.6(3) . . ?
F3 Sb1 F2 89.4(3) 2_777 . ?
F3 Sb1 F2 89.4(3) . 2_777 ?
F3 Sb1 F2 90.6(3) 2_777 2_777 ?
F2 Sb1 F2 180.0(2) . 2_777 ?
F3 Sb1 F1 91.0(2) . 2_777 ?
F3 Sb1 F1 89.0(2) 2_777 2_777 ?
F2 Sb1 F1 90.41(14) . 2_777 ?
F2 Sb1 F1 89.59(14) 2_777 2_777 ?
F3 Sb1 F1 89.0(2) . . ?
F3 Sb1 F1 91.0(2) 2_777 . ?
F2 Sb1 F1 89.59(14) . . ?
F2 Sb1 F1 90.41(14) 2_777 . ?
F1 Sb1 F1 180.000(2) 2_777 . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         0.502
_refine_diff_density_min         -1.087
_refine_diff_density_rms         0.197


