# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2007

data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182

_publ_section_title              
;A hamburger-shaped helical stacking of disk-shaped
ligands mediated by silver(II) ions
;
_publ_contact_author_name        'Prof. Jong-In Hong'
_publ_contact_author_email       JIHONG@SNU.AC.KR
loop_
_publ_author_name
'Ho Yong Lee'
'Jaejoon Park'
'Myoung Soo Lah'
'Jong-In Hong'

# Attachment 'new_P6_10RO.CIF'

data_p6_10ro
_database_code_depnum_ccdc_archive 'CCDC 610197'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C99 H81 Ag6 F9 N12 O18 S3'
_chemical_formula_weight         2641.16

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Trigonal
_symmetry_space_group_name_H-M   R3

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

_cell_length_a                   25.470(4)
_cell_length_b                   25.470(4)
_cell_length_c                   13.028(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     7319(2)
_cell_formula_units_Z            3
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    26304
_cell_measurement_theta_min      1.79
_cell_measurement_theta_max      30.29

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.798
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3942
_exptl_absorpt_coefficient_mu    1.337
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.8246
_exptl_absorpt_correction_T_max  0.8779
_exptl_absorpt_process_details   HKL2000-Scalepack

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.70000
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         PAL
_diffrn_radiation_monochromator  'Silicon double crystal monochromator'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26304
_diffrn_reflns_av_R_equivalents  0.0643
_diffrn_reflns_av_sigmaI/netI    0.0536
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.79
_diffrn_reflns_theta_max         30.29
_reflns_number_total             10160
_reflns_number_gt                9868
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_cell_refinement       HKL2000
_computing_data_reduction        HKL2000
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    ORTEP3
_computing_publication_material  WinGX

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0694P)^2^+9.1207P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00351(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.015(19)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         10160
_refine_ls_number_parameters     445
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0421
_refine_ls_wR_factor_ref         0.1112
_refine_ls_wR_factor_gt          0.1099
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.746950(10) 0.489275(11) 0.371245(19) 0.02404(8) Uani 1 1 d . . .
Ag2 Ag 0.565198(11) 0.389845(11) 0.011870(19) 0.02440(8) Uani 1 1 d . . .
N1A N 0.68111(13) 0.48174(13) 0.2669(2) 0.0218(5) Uani 1 1 d . . .
N2A N 0.61646(13) 0.44832(13) 0.1317(2) 0.0223(5) Uani 1 1 d . . .
C1A C 0.65292(16) 0.43896(15) 0.1942(3) 0.0225(5) Uani 1 1 d . . .
C2A C 0.66156(15) 0.52305(14) 0.2498(3) 0.0225(6) Uani 1 1 d . . .
C3A C 0.67536(16) 0.57634(15) 0.3021(3) 0.0242(6) Uani 1 1 d . . .
H3A H 0.7004 0.5888 0.3614 0.029 Uiso 1 1 calc R . .
C4A C 0.65070(17) 0.61032(16) 0.2636(3) 0.0271(6) Uani 1 1 d . . .
H4A H 0.6594 0.6471 0.2966 0.032 Uiso 1 1 calc R . .
C5A C 0.61297(18) 0.59106(17) 0.1762(3) 0.0274(6) Uani 1 1 d . . .
H5A H 0.5977 0.6157 0.1505 0.033 Uiso 1 1 calc R . .
C6A C 0.59755(16) 0.53700(16) 0.1267(3) 0.0266(6) Uani 1 1 d . . .
H6A H 0.5712 0.5237 0.0690 0.032 Uiso 1 1 calc R . .
C7A C 0.62216(16) 0.50301(16) 0.1648(3) 0.0239(6) Uani 1 1 d . . .
C8A C 0.65984(15) 0.38477(16) 0.1885(3) 0.0226(6) Uani 1 1 d . . .
C9A C 0.71789(15) 0.39093(15) 0.1883(3) 0.0227(6) Uani 1 1 d . . .
H9A H 0.7527 0.4303 0.1881 0.027 Uiso 1 1 calc R . .
O1B O 0.83117(12) 0.42988(13) 0.5888(2) 0.0284(5) Uani 1 1 d . . .
N1B N 0.80567(13) 0.47863(14) 0.4729(2) 0.0246(5) Uani 1 1 d . . .
C1B C 0.78878(16) 0.43290(16) 0.5326(3) 0.0239(6) Uani 1 1 d . . .
C2B C 0.88960(17) 0.47912(18) 0.5515(3) 0.0303(7) Uani 1 1 d . . .
H2B1 H 0.9099 0.4632 0.5068 0.036 Uiso 1 1 calc R . .
H2B2 H 0.9168 0.5015 0.6095 0.036 Uiso 1 1 calc R . .
C3B C 0.87212(16) 0.51988(16) 0.4907(3) 0.0260(6) Uani 1 1 d . . .
H3B H 0.8779 0.5542 0.5356 0.031 Uiso 1 1 calc R . .
C4B C 0.90750(15) 0.54538(16) 0.3927(3) 0.0251(6) Uani 1 1 d . . .
C5B C 0.90591(17) 0.50794(17) 0.3131(3) 0.0291(7) Uani 1 1 d . . .
H5B H 0.8818 0.4652 0.3198 0.035 Uiso 1 1 calc R . .
C6B C 0.93937(18) 0.53295(19) 0.2241(3) 0.0302(7) Uani 1 1 d . . .
H6B H 0.9374 0.5073 0.1695 0.036 Uiso 1 1 calc R . .
C7B C 0.97583(17) 0.59564(18) 0.2151(3) 0.0293(7) Uani 1 1 d . . .
H7B H 0.9992 0.6126 0.1546 0.035 Uiso 1 1 calc R . .
C8B C 0.97822(17) 0.63344(18) 0.2940(3) 0.0296(7) Uani 1 1 d . . .
H8B H 1.0030 0.6762 0.2877 0.036 Uiso 1 1 calc R . .
C9B C 0.94399(16) 0.60825(17) 0.3825(3) 0.0273(6) Uani 1 1 d . . .
H9B H 0.9454 0.6340 0.4364 0.033 Uiso 1 1 calc R . .
C10B C 0.72610(16) 0.38178(15) 0.5421(3) 0.0234(6) Uani 1 1 d . . .
C11B C 0.67747(16) 0.39277(16) 0.5431(3) 0.0249(6) Uani 1 1 d . . .
H11B H 0.6849 0.4332 0.5445 0.030 Uiso 1 1 calc R . .
O1C O 0.50276(15) 0.25745(14) -0.2323(3) 0.0353(6) Uani 1 1 d . . .
N1C N 0.52062(15) 0.32372(15) -0.1039(2) 0.0264(6) Uani 1 1 d . . .
C1C C 0.54211(18) 0.30147(17) -0.1692(3) 0.0295(7) Uani 1 1 d . . .
C2C C 0.44399(19) 0.2540(2) -0.2155(3) 0.0363(8) Uani 1 1 d . . .
H2C1 H 0.4108 0.2113 -0.2110 0.044 Uiso 1 1 calc R . .
H2C2 H 0.4349 0.2745 -0.2714 0.044 Uiso 1 1 calc R . .
C3C C 0.45260(18) 0.28686(18) -0.1131(3) 0.0300(7) Uani 1 1 d . . .
H3C H 0.4356 0.3147 -0.1184 0.036 Uiso 1 1 calc R . .
C4C C 0.42815(16) 0.24838(16) -0.0184(3) 0.0273(6) Uani 1 1 d . . .
C5C C 0.4186(2) 0.27426(19) 0.0680(3) 0.0336(7) Uani 1 1 d . . .
H5C H 0.4280 0.3153 0.0659 0.040 Uiso 1 1 calc R . .
C6C C 0.3953(2) 0.2407(2) 0.1582(4) 0.0400(9) Uani 1 1 d . . .
H6C H 0.3891 0.2589 0.2171 0.048 Uiso 1 1 calc R . .
C7C C 0.3814(2) 0.1805(2) 0.1612(4) 0.0376(8) Uani 1 1 d . . .
H7C H 0.3655 0.1574 0.2221 0.045 Uiso 1 1 calc R . .
C8C C 0.3909(2) 0.15440(19) 0.0748(4) 0.0387(9) Uani 1 1 d . . .
H8C H 0.3811 0.1132 0.0765 0.046 Uiso 1 1 calc R . .
C9C C 0.4145(2) 0.18796(18) -0.0130(3) 0.0340(8) Uani 1 1 d . . .
H9C H 0.4216 0.1698 -0.0711 0.041 Uiso 1 1 calc R . .
C10C C 0.60581(18) 0.31805(18) -0.1766(3) 0.0285(7) Uani 1 1 d . . .
C11C C 0.62096(18) 0.27218(18) -0.1773(3) 0.0295(7) Uani 1 1 d . . .
H11C H 0.5900 0.2308 -0.1783 0.035 Uiso 1 1 calc R . .
S1T S 0.48525(4) 0.45415(4) 0.86036(8) 0.03018(18) Uani 1 1 d . . .
O1T O 0.49419(13) 0.43755(15) 0.9617(2) 0.0346(6) Uani 1 1 d . . .
O2T O 0.46375(17) 0.40658(15) 0.7855(2) 0.0383(7) Uani 1 1 d . . .
O3T O 0.45550(16) 0.48982(16) 0.8587(4) 0.0480(9) Uani 1 1 d . . .
C1T C 0.5624(2) 0.50803(19) 0.8170(3) 0.0317(7) Uani 1 1 d . . .
F1T F 0.59766(14) 0.48308(15) 0.8201(3) 0.0486(8) Uani 1 1 d . . .
F2T F 0.58809(13) 0.55775(13) 0.8744(2) 0.0421(6) Uani 1 1 d . . .
F3T F 0.56213(17) 0.52499(14) 0.7202(2) 0.0472(7) Uani 1 1 d . . .
O1M O 0.72411(15) 0.54104(14) 0.5397(3) 0.0374(6) Uani 1 1 d . . .
H1M H 0.7595 0.5709 0.5415 0.056 Uiso 1 1 calc R . .
C1M C 0.6854(2) 0.5541(2) 0.5964(4) 0.0407(9) Uani 1 1 d . . .
H1M1 H 0.7066 0.5773 0.6577 0.061 Uiso 1 1 calc R . .
H1M2 H 0.6495 0.5161 0.6171 0.061 Uiso 1 1 calc R . .
H1M3 H 0.6730 0.5778 0.5542 0.061 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.02266(11) 0.02555(12) 0.02458(12) 0.00005(8) -0.00373(8) 0.01254(9)
Ag2 0.02468(12) 0.02397(12) 0.02415(12) -0.00309(8) -0.00406(8) 0.01186(9)
N1A 0.0232(12) 0.0216(11) 0.0213(12) 0.0002(9) -0.0025(10) 0.0118(10)
N2A 0.0232(12) 0.0202(11) 0.0228(12) -0.0019(9) -0.0038(10) 0.0103(10)
C1A 0.0238(13) 0.0200(12) 0.0223(13) 0.0020(10) 0.0017(10) 0.0099(11)
C2A 0.0218(13) 0.0200(13) 0.0245(14) 0.0004(11) -0.0015(11) 0.0096(11)
C3A 0.0252(14) 0.0224(13) 0.0245(14) -0.0014(11) -0.0006(11) 0.0116(11)
C4A 0.0288(15) 0.0236(14) 0.0305(17) -0.0011(12) 0.0023(13) 0.0144(13)
C5A 0.0299(16) 0.0256(15) 0.0307(17) 0.0035(13) -0.0005(13) 0.0169(13)
C6A 0.0237(14) 0.0256(15) 0.0325(17) 0.0017(13) -0.0023(12) 0.0137(12)
C7A 0.0252(14) 0.0229(14) 0.0242(15) 0.0023(11) -0.0001(11) 0.0124(12)
C8A 0.0237(14) 0.0246(14) 0.0213(13) -0.0014(11) -0.0026(11) 0.0135(12)
C9A 0.0223(14) 0.0216(13) 0.0244(14) -0.0002(11) 0.0014(11) 0.0112(11)
O1B 0.0219(11) 0.0288(12) 0.0324(14) 0.0038(10) -0.0057(9) 0.0111(10)
N1B 0.0212(12) 0.0259(13) 0.0267(14) -0.0001(11) -0.0008(10) 0.0119(10)
C1B 0.0235(14) 0.0263(14) 0.0233(15) -0.0013(12) -0.0019(11) 0.0134(12)
C2B 0.0238(15) 0.0278(16) 0.0351(19) 0.0057(14) -0.0026(13) 0.0096(13)
C3B 0.0223(14) 0.0263(15) 0.0273(15) -0.0001(12) -0.0033(12) 0.0105(12)
C4B 0.0220(13) 0.0264(14) 0.0273(15) 0.0008(12) -0.0022(11) 0.0123(12)
C5B 0.0297(16) 0.0244(15) 0.0320(17) -0.0003(13) -0.0015(13) 0.0126(13)
C6B 0.0304(17) 0.0344(18) 0.0291(17) -0.0012(14) 0.0023(13) 0.0185(15)
C7B 0.0239(15) 0.0333(17) 0.0321(17) 0.0019(14) -0.0030(13) 0.0153(14)
C8B 0.0268(15) 0.0296(16) 0.0330(18) 0.0049(13) -0.0006(13) 0.0145(13)
C9B 0.0274(15) 0.0267(15) 0.0295(16) -0.0025(13) -0.0035(13) 0.0148(13)
C10B 0.0238(14) 0.0222(14) 0.0214(13) 0.0011(11) 0.0001(11) 0.0095(11)
C11B 0.0287(15) 0.0252(14) 0.0230(14) -0.0018(11) -0.0007(12) 0.0150(13)
O1C 0.0340(14) 0.0417(16) 0.0303(15) -0.0133(11) -0.0069(11) 0.0188(13)
N1C 0.0286(13) 0.0265(13) 0.0246(13) -0.0048(11) -0.0062(11) 0.0142(11)
C1C 0.0332(17) 0.0266(15) 0.0278(17) -0.0010(13) -0.0058(13) 0.0143(14)
C2C 0.0289(17) 0.043(2) 0.0310(18) -0.0087(16) -0.0086(14) 0.0137(16)
C3C 0.0278(15) 0.0322(17) 0.0285(17) -0.0056(13) -0.0071(13) 0.0139(14)
C4C 0.0262(15) 0.0252(15) 0.0310(17) -0.0041(12) -0.0069(13) 0.0133(12)
C5C 0.0377(19) 0.0347(18) 0.0359(19) -0.0007(15) 0.0008(15) 0.0238(16)
C6C 0.052(3) 0.046(2) 0.038(2) 0.0047(18) 0.0047(19) 0.036(2)
C7C 0.0340(19) 0.041(2) 0.043(2) 0.0093(17) 0.0020(16) 0.0224(17)
C8C 0.036(2) 0.0278(17) 0.053(3) -0.0030(17) -0.0059(18) 0.0165(16)
C9C 0.0379(19) 0.0267(16) 0.038(2) -0.0051(14) -0.0047(16) 0.0168(15)
C10C 0.0315(16) 0.0327(17) 0.0226(15) -0.0029(13) -0.0026(12) 0.0171(15)
C11C 0.0324(17) 0.0304(16) 0.0235(14) -0.0015(13) 0.0007(13) 0.0141(14)
S1T 0.0285(4) 0.0306(4) 0.0365(5) -0.0077(3) -0.0091(3) 0.0186(3)
O1T 0.0277(13) 0.0426(16) 0.0306(13) -0.0040(12) -0.0013(10) 0.0153(12)
O2T 0.0505(18) 0.0340(14) 0.0366(15) -0.0081(12) -0.0137(13) 0.0259(14)
O3T 0.0347(15) 0.0396(16) 0.078(3) -0.0183(17) -0.0187(17) 0.0250(14)
C1T 0.0361(18) 0.0366(19) 0.0297(17) -0.0001(15) -0.0022(15) 0.0235(16)
F1T 0.0434(15) 0.0539(17) 0.063(2) 0.0228(14) 0.0195(13) 0.0354(14)
F2T 0.0358(13) 0.0402(14) 0.0415(14) -0.0070(11) -0.0017(11) 0.0123(11)
F3T 0.072(2) 0.0428(14) 0.0305(12) 0.0074(11) -0.0003(13) 0.0312(15)
O1M 0.0345(14) 0.0294(13) 0.0470(18) -0.0083(12) 0.0020(13) 0.0151(12)
C1M 0.039(2) 0.0352(19) 0.046(2) -0.0038(17) 0.0050(18) 0.0176(17)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1A 2.092(3) . ?
Ag1 N1B 2.114(3) . ?
Ag2 N2A 2.101(3) . ?
Ag2 N1C 2.118(3) . ?
N1A C1A 1.348(4) . ?
N1A C2A 1.389(4) . ?
N2A C1A 1.343(5) . ?
N2A C7A 1.395(4) . ?
C1A C8A 1.478(5) . ?
C2A C3A 1.398(4) . ?
C2A C7A 1.407(5) . ?
C3A C4A 1.393(5) . ?
C4A C5A 1.410(5) . ?
C5A C6A 1.387(5) . ?
C6A C7A 1.390(5) . ?
C8A C9A 1.391(5) 2_655 ?
C8A C9A 1.407(5) . ?
C9A C8A 1.391(5) 3_665 ?
O1B C1B 1.338(4) . ?
O1B C2B 1.468(5) . ?
N1B C1B 1.282(5) . ?
N1B C3B 1.498(4) . ?
C1B C10B 1.477(5) . ?
C2B C3B 1.538(5) . ?
C3B C4B 1.509(5) . ?
C4B C5B 1.396(5) . ?
C4B C9B 1.399(5) . ?
C5B C6B 1.391(6) . ?
C6B C7B 1.394(6) . ?
C7B C8B 1.389(6) . ?
C8B C9B 1.394(6) . ?
C10B C11B 1.392(5) 3_665 ?
C10B C11B 1.400(5) . ?
C11B C10B 1.392(5) 2_655 ?
O1C C1C 1.346(5) . ?
O1C C2C 1.471(5) . ?
N1C C1C 1.287(5) . ?
N1C C3C 1.507(5) . ?
C1C C10C 1.461(6) . ?
C2C C3C 1.531(6) . ?
C3C C4C 1.504(6) . ?
C4C C5C 1.385(5) . ?
C4C C9C 1.400(5) . ?
C5C C6C 1.399(6) . ?
C6C C7C 1.390(6) . ?
C7C C8C 1.388(7) . ?
C8C C9C 1.374(7) . ?
C10C C11C 1.398(6) 3_665 ?
C10C C11C 1.402(5) . ?
C11C C10C 1.398(6) 2_655 ?
S1T O2T 1.433(3) . ?
S1T O1T 1.439(3) . ?
S1T O3T 1.445(3) . ?
S1T C1T 1.834(5) . ?
C1T F2T 1.328(5) . ?
C1T F3T 1.334(5) . ?
C1T F1T 1.336(5) . ?
O1M C1M 1.398(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1A Ag1 N1B 168.95(11) . . ?
N2A Ag2 N1C 171.30(12) . . ?
C1A N1A C2A 104.6(3) . . ?
C1A N1A Ag1 127.5(2) . . ?
C2A N1A Ag1 127.6(2) . . ?
C1A N2A C7A 104.7(3) . . ?
C1A N2A Ag2 124.4(2) . . ?
C7A N2A Ag2 131.0(2) . . ?
N2A C1A N1A 114.8(3) . . ?
N2A C1A C8A 123.4(3) . . ?
N1A C1A C8A 121.7(3) . . ?
N1A C2A C3A 130.2(3) . . ?
N1A C2A C7A 108.2(3) . . ?
C3A C2A C7A 121.6(3) . . ?
C4A C3A C2A 117.0(3) . . ?
C3A C4A C5A 121.0(3) . . ?
C6A C5A C4A 121.7(3) . . ?
C5A C6A C7A 117.4(3) . . ?
C6A C7A N2A 131.1(3) . . ?
C6A C7A C2A 121.1(3) . . ?
N2A C7A C2A 107.8(3) . . ?
C9A C8A C9A 119.1(3) 2_655 . ?
C9A C8A C1A 120.4(3) 2_655 . ?
C9A C8A C1A 120.3(3) . . ?
C8A C9A C8A 120.9(3) 3_665 . ?
C1B O1B C2B 105.8(3) . . ?
C1B N1B C3B 106.9(3) . . ?
C1B N1B Ag1 124.0(2) . . ?
C3B N1B Ag1 129.1(2) . . ?
N1B C1B O1B 118.0(3) . . ?
N1B C1B C10B 125.1(3) . . ?
O1B C1B C10B 116.8(3) . . ?
O1B C2B C3B 103.6(3) . . ?
N1B C3B C4B 113.1(3) . . ?
N1B C3B C2B 102.3(3) . . ?
C4B C3B C2B 114.5(3) . . ?
C5B C4B C9B 119.1(3) . . ?
C5B C4B C3B 121.8(3) . . ?
C9B C4B C3B 119.0(3) . . ?
C6B C5B C4B 120.3(3) . . ?
C5B C6B C7B 120.0(4) . . ?
C8B C7B C6B 120.3(4) . . ?
C7B C8B C9B 119.5(4) . . ?
C8B C9B C4B 120.7(4) . . ?
C11B C10B C11B 120.1(4) 3_665 . ?
C11B C10B C1B 119.8(3) 3_665 . ?
C11B C10B C1B 119.9(3) . . ?
C10B C11B C10B 119.9(4) 2_655 . ?
C1C O1C C2C 105.7(3) . . ?
C1C N1C C3C 106.4(3) . . ?
C1C N1C Ag2 130.1(3) . . ?
C3C N1C Ag2 123.0(2) . . ?
N1C C1C O1C 117.8(4) . . ?
N1C C1C C10C 124.9(4) . . ?
O1C C1C C10C 117.2(4) . . ?
O1C C2C C3C 103.5(3) . . ?
C4C C3C N1C 108.2(3) . . ?
C4C C3C C2C 117.3(3) . . ?
N1C C3C C2C 102.5(3) . . ?
C5C C4C C9C 118.5(4) . . ?
C5C C4C C3C 118.0(3) . . ?
C9C C4C C3C 123.5(4) . . ?
C4C C5C C6C 120.8(4) . . ?
C7C C6C C5C 119.6(4) . . ?
C8C C7C C6C 119.7(4) . . ?
C9C C8C C7C 120.2(4) . . ?
C8C C9C C4C 121.1(4) . . ?
C11C C10C C11C 120.4(4) 3_665 . ?
C11C C10C C1C 120.3(4) 3_665 . ?
C11C C10C C1C 119.2(4) . . ?
C10C C11C C10C 119.6(4) 2_655 . ?
O2T S1T O1T 115.18(19) . . ?
O2T S1T O3T 115.0(2) . . ?
O1T S1T O3T 114.1(2) . . ?
O2T S1T C1T 103.7(2) . . ?
O1T S1T C1T 103.58(18) . . ?
O3T S1T C1T 103.1(2) . . ?
F2T C1T F3T 107.7(3) . . ?
F2T C1T F1T 108.0(4) . . ?
F3T C1T F1T 107.2(4) . . ?
F2T C1T S1T 111.9(3) . . ?
F3T C1T S1T 110.9(3) . . ?
F1T C1T S1T 111.0(3) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1M H1M O3T 0.84 1.93 2.760(5) 169.5 8_654

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        30.29
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.267
_refine_diff_density_min         -1.980
_refine_diff_density_rms         0.143