# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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data_110625c

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H43 Ag3 Cl3 F18 N12 O5 Sb3'
_chemical_formula_weight         1969.12

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Hexagonal
_symmetry_space_group_name_H-M   P6(5)22

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

_cell_length_a                   15.9174(15)
_cell_length_b                   15.9174(15)
_cell_length_c                   44.260(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     9711.5(18)
_cell_formula_units_Z            6
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    18626
_cell_measurement_theta_min      2.360
_cell_measurement_theta_max      27.355

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.020
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5664
_exptl_absorpt_coefficient_mu    2.350
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5911
_exptl_absorpt_correction_T_max  0.6770
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(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            40898
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0252
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         25.03
_reflns_number_total             5726
_reflns_number_gt                5315
_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)+(0.1057P)²+83.8192P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.95(7)
_refine_ls_number_reflns         5726
_refine_ls_number_parameters     418
_refine_ls_number_restraints     11
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0646
_refine_ls_wR_factor_ref         0.1855
_refine_ls_wR_factor_gt          0.1792
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_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 0.40692(4) 0.59308(4) 0.0833 0.0394(3) Uani 1 2 d S . .
Ag2 Ag 0.24521(4) 0.75479(4) 0.0833 0.0481(3) Uani 1 2 d S . .
Ag3 Ag 0.55216(17) 0.77608(9) -0.0833 0.0812(6) Uani 1 2 d S . .
C1 C 0.5812(8) 0.6651(9) 0.0362(2) 0.040(2) Uani 1 1 d . . .
C2 C 0.6263(11) 0.6457(12) 0.0601(3) 0.061(4) Uani 1 1 d . . .
H2 H 0.5939 0.6195 0.0781 0.074 Uiso 1 1 calc R . .
C3 C 0.7221(12) 0.6670(15) 0.0558(3) 0.076(5) Uani 1 1 d . . .
H3 H 0.7540 0.6561 0.0716 0.092 Uiso 1 1 calc R . .
C4 C 0.7685(11) 0.7021(15) 0.0302(4) 0.090(7) Uani 1 1 d . . .
H4 H 0.8313 0.7129 0.0282 0.108 Uiso 1 1 calc R . .
C5 C 0.7271(9) 0.7233(12) 0.0062(3) 0.067(4) Uani 1 1 d . . .
H5 H 0.7622 0.7515 -0.0114 0.080 Uiso 1 1 calc R . .
C6 C 0.6303(8) 0.7011(9) 0.0090(3) 0.042(3) Uani 1 1 d . . .
C7 C 0.4950(8) 0.6988(8) -0.0107(2) 0.037(2) Uani 1 1 d . . .
H7 H 0.4615 0.7069 -0.0266 0.044 Uiso 1 1 calc R . .
C8 C 0.4493(7) 0.6668(7) 0.01733(19) 0.0245(19) Uani 1 1 d . . .
C9 C 0.3491(7) 0.6534(7) 0.0216(2) 0.0298(19) Uani 1 1 d . . .
C10 C 0.3037(8) 0.6839(9) -0.0025(2) 0.040(2) Uani 1 1 d . . .
H10A H 0.3540 0.7401 -0.0130 0.048 Uiso 1 1 calc R . .
H10B H 0.2601 0.7023 0.0068 0.048 Uiso 1 1 calc R . .
C11 C 0.2474(11) 0.6021(11) -0.0252(3) 0.057(3) Uani 1 1 d . . .
H11A H 0.2917 0.5884 -0.0359 0.085 Uiso 1 1 calc R . .
H11B H 0.2146 0.6217 -0.0393 0.085 Uiso 1 1 calc R . .
H11C H 0.2007 0.5449 -0.0147 0.085 Uiso 1 1 calc R . .
C12 C 0.1272(13) 0.3785(12) 0.0770(4) 0.088(6) Uani 1 1 d . . .
H12A H 0.1874 0.3784 0.0782 0.132 Uiso 1 1 calc R . .
H12B H 0.0750 0.3134 0.0738 0.132 Uiso 1 1 calc R . .
H12C H 0.1166 0.4035 0.0954 0.132 Uiso 1 1 calc R . .
C13 C 0.1315(9) 0.4417(9) 0.0508(3) 0.052(3) Uani 1 1 d . . .
H13A H 0.1833 0.4506 0.0373 0.063 Uiso 1 1 calc R . .
H13B H 0.0711 0.4080 0.0396 0.063 Uiso 1 1 calc R . .
C14 C 0.1472(8) 0.5359(9) 0.0594(2) 0.042(3) Uani 1 1 d . . .
C15 C 0.0712(8) 0.5490(12) 0.0753(2) 0.054(4) Uani 1 1 d . . .
C16 C -0.0247(8) 0.4699(12) 0.0753(3) 0.062(4) Uani 1 1 d . . .
H16 H -0.0365 0.4134 0.0655 0.075 Uiso 1 1 calc R . .
C17 C -0.0779(10) 0.5569(15) 0.1015(3) 0.071(5) Uani 1 1 d . . .
C18 C -0.1514(16) 0.570(2) 0.1143(5) 0.123(11) Uani 1 1 d . . .
H18 H -0.2157 0.5200 0.1145 0.148 Uiso 1 1 calc R . .
C19 C -0.1229(16) 0.662(2) 0.1269(5) 0.129(8) Uani 1 1 d D . .
H19 H -0.1709 0.6715 0.1352 0.155 Uiso 1 1 calc R . .
C20 C -0.0275(15) 0.7389(19) 0.1277(5) 0.129(8) Uani 1 1 d D . .
H20 H -0.0126 0.7980 0.1363 0.155 Uiso 1 1 calc R . .
C21 C 0.0444(16) 0.725(2) 0.1151(4) 0.102(8) Uani 1 1 d D . .
H21 H 0.1085 0.7749 0.1156 0.122 Uiso 1 1 calc R . .
C22 C 0.0241(11) 0.6422(14) 0.1025(3) 0.066(4) Uani 1 1 d . . .
C23 C 0.9213(18) 0.0593(19) 0.0531(8) 0.141(19) Uani 0.50 1 d PDU . .
H23 H 0.9002 0.0883 0.0374 0.170 Uiso 0.50 1 calc PR . .
Cl1 Cl 0.8939(4) 0.1061(4) 0.0833 0.179(6) Uani 1 2 d SD . .
Cl2 Cl 1.0391(13) 0.1122(12) 0.0425(4) 0.162(7) Uani 0.50 1 d PD . .
Cl3 Cl 0.8635(12) -0.0550(14) 0.0394(6) 0.224(13) Uani 0.50 1 d PD . .
F1 F 0.4815(5) 0.4808(5) -0.00795(18) 0.065(2) Uani 1 1 d . . .
F4 F 0.2422(5) 0.2635(5) 0.00893(19) 0.060(2) Uani 1 1 d . . .
F2 F 0.4115(8) 0.3551(8) 0.03619(18) 0.091(3) Uani 1 1 d . . .
F3 F 0.4009(6) 0.2968(7) -0.0198(2) 0.072(2) Uani 1 1 d . . .
F5 F 0.3108(7) 0.3866(10) -0.0358(2) 0.104(4) Uani 1 1 d . . .
F8 F 0.0725(7) 0.4180(10) 0.2025(2) 0.103(4) Uani 1 1 d . . .
F7 F -0.0822(12) 0.4209(16) 0.1829(5) 0.188(9) Uani 1 1 d . . .
F6 F 0.3221(9) 0.4484(7) 0.0207(3) 0.118(5) Uani 1 1 d . . .
F9 F 0.0831(10) 0.3440(13) 0.1516(2) 0.125(5) Uani 1 1 d . . .
N1 N 0.5828(7) 0.7172(7) -0.01488(19) 0.037(2) Uani 1 1 d . . .
N2 N 0.4897(7) 0.6498(7) 0.03979(18) 0.0366(19) Uani 1 1 d . . .
N3 N 0.3094(6) 0.6166(6) 0.04683(19) 0.0313(18) Uani 1 1 d . . .
N4 N 0.2270(6) 0.6183(6) 0.05593(19) 0.0340(18) Uani 1 1 d . . .
N5 N 0.0957(7) 0.6311(9) 0.0886(2) 0.050(3) Uani 1 1 d . . .
N6 N -0.0953(8) 0.4709(10) 0.0878(2) 0.059(3) Uani 1 1 d . . .
O1 O -0.1828(7) 0.4082(13) 0.0882(3) 0.116(6) Uani 1 1 d . . .
O2 O 0.6271(7) 0.7457(8) -0.0412(2) 0.061(2) Uani 1 1 d . . .
O1W O 0.0115(15) 0.884(2) 0.0567(7) 0.103(9) Uani 0.50 1 d P . .
H1A H 0.0101 0.8945 0.0379 0.124 Uiso 0.50 1 d PR . .
H1B H -0.0064 0.8265 0.0625 0.124 Uiso 0.50 1 d PR . .
Sb2 Sb 0.36091(5) 0.37219(5) 0.000551(16) 0.0380(2) Uani 1 1 d . . .
Sb1 Sb 0.0000 0.38280(9) 0.1667 0.0590(4) Uani 1 2 d S . .


_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 2.253(9) . ?
Ag1 N2 2.253(9) 7_665 ?
Ag1 N3 2.395(8) . ?
Ag1 N3 2.395(8) 7_665 ?
Ag2 N5 2.216(12) 7_665 ?
Ag2 N5 2.216(12) . ?
Ag2 N4 2.376(9) . ?
Ag2 N4 2.376(9) 7_665 ?
Ag3 O2 2.392(10) . ?
Ag3 O2 2.392(10) 9_564 ?
C1 N2 1.360(14) . ?
C1 C2 1.395(17) . ?
C1 C6 1.395(17) . ?
C2 C3 1.40(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.32(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.38(2) . ?
C4 H4 0.9300 . ?
C5 C6 1.403(16) . ?
C5 H5 0.9300 . ?
C6 N1 1.394(15) . ?
C7 N1 1.291(14) . ?
C7 C8 1.400(13) . ?
C7 H7 0.9300 . ?
C8 N2 1.285(13) . ?
C8 C9 1.511(12) . ?
C9 N3 1.273(13) . ?
C9 C10 1.497(13) . ?
C10 C11 1.530(18) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.51(2) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.442(18) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 N4 1.300(15) . ?
C14 C15 1.500(17) . ?
C15 N5 1.303(19) . ?
C15 C16 1.412(18) . ?
C16 N6 1.260(17) . ?
C16 H16 0.9300 . ?
C17 N6 1.39(2) . ?
C17 C18 1.40(2) . ?
C17 C22 1.51(2) . ?
C18 C19 1.41(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.396(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.389(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.31(3) . ?
C21 H21 0.9300 . ?
C22 N5 1.382(14) . ?
C23 Cl3 1.688(10) . ?
C23 Cl2 1.694(10) . ?
C23 Cl1 1.693(10) . ?
C23 H23 0.9800 . ?
Cl1 C23 1.693(10) 7_665 ?
F1 Sb2 1.870(7) . ?
F4 Sb2 1.852(7) . ?
F2 Sb2 1.851(8) . ?
F3 Sb2 1.849(7) . ?
F5 Sb2 1.862(9) . ?
F8 Sb1 1.874(9) . ?
F7 Sb1 1.842(12) . ?
F6 Sb2 1.843(8) . ?
F9 Sb1 1.843(12) . ?
N1 O2 1.317(12) . ?
N3 N4 1.386(12) . ?
N6 O1 1.244(17) . ?
O1W H1A 0.8501 . ?
O1W H1B 0.8501 . ?
Sb1 F7 1.842(12) 12 ?
Sb1 F9 1.843(12) 12 ?
Sb1 F8 1.874(9) 12 ?

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 161.6(5) . 7_665 ?
N2 Ag1 N3 69.8(3) . . ?
N2 Ag1 N3 124.5(3) 7_665 . ?
N2 Ag1 N3 124.5(3) . 7_665 ?
N2 Ag1 N3 69.8(3) 7_665 7_665 ?
N3 Ag1 N3 91.8(4) . 7_665 ?
N5 Ag2 N5 161.5(5) 7_665 . ?
N5 Ag2 N4 124.4(3) 7_665 . ?
N5 Ag2 N4 69.8(3) . . ?
N5 Ag2 N4 69.8(3) 7_665 7_665 ?
N5 Ag2 N4 124.4(3) . 7_665 ?
N4 Ag2 N4 93.3(4) . 7_665 ?
O2 Ag3 O2 128.8(5) . 9_564 ?
N2 C1 C2 119.7(11) . . ?
N2 C1 C6 120.3(10) . . ?
C2 C1 C6 120.0(11) . . ?
C1 C2 C3 117.7(14) . . ?
C1 C2 H2 121.2 . . ?
C3 C2 H2 121.2 . . ?
C4 C3 C2 122.0(14) . . ?
C4 C3 H3 119.0 . . ?
C2 C3 H3 119.0 . . ?
C3 C4 C5 122.2(13) . . ?
C3 C4 H4 118.9 . . ?
C5 C4 H4 118.9 . . ?
C4 C5 C6 118.0(14) . . ?
C4 C5 H5 121.0 . . ?
C6 C5 H5 121.0 . . ?
N1 C6 C1 119.1(10) . . ?
N1 C6 C5 121.0(12) . . ?
C1 C6 C5 119.9(12) . . ?
N1 C7 C8 121.1(10) . . ?
N1 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
N2 C8 C7 122.6(9) . . ?
N2 C8 C9 118.6(8) . . ?
C7 C8 C9 118.8(8) . . ?
N3 C9 C10 124.4(9) . . ?
N3 C9 C8 114.8(8) . . ?
C10 C9 C8 120.8(8) . . ?
C9 C10 C11 111.4(9) . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C11 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C12 114.5(12) . . ?
C14 C13 H13A 108.6 . . ?
C12 C13 H13A 108.6 . . ?
C14 C13 H13B 108.6 . . ?
C12 C13 H13B 108.6 . . ?
H13A C13 H13B 107.6 . . ?
N4 C14 C13 126.2(11) . . ?
N4 C14 C15 111.3(11) . . ?
C13 C14 C15 122.4(11) . . ?
N5 C15 C16 122.8(13) . . ?
N5 C15 C14 119.6(11) . . ?
C16 C15 C14 117.6(14) . . ?
N6 C16 C15 124.2(17) . . ?
N6 C16 H16 117.9 . . ?
C15 C16 H16 117.9 . . ?
N6 C17 C18 123.2(19) . . ?
N6 C17 C22 119.5(11) . . ?
C18 C17 C22 117(2) . . ?
C17 C18 C19 117(2) . . ?
C17 C18 H18 121.6 . . ?
C19 C18 H18 121.6 . . ?
C20 C19 C18 124.5(19) . . ?
C20 C19 H19 117.8 . . ?
C18 C19 H19 117.8 . . ?
C21 C20 C19 118(2) . . ?
C21 C20 H20 121.0 . . ?
C19 C20 H20 121.0 . . ?
C22 C21 C20 122(2) . . ?
C22 C21 H21 119.2 . . ?
C20 C21 H21 119.2 . . ?
C21 C22 N5 120.8(17) . . ?
C21 C22 C17 122.0(14) . . ?
N5 C22 C17 117.2(15) . . ?
Cl3 C23 Cl2 108.0(12) . . ?
Cl3 C23 Cl1 129.6(16) . . ?
Cl2 C23 Cl1 117.7(14) . . ?
Cl3 C23 H23 97.2 . . ?
Cl2 C23 H23 97.2 . . ?
Cl1 C23 H23 97.2 . . ?
C23 Cl1 C23 106(4) . 7_665 ?
C7 N1 O2 122.5(10) . . ?
C7 N1 C6 118.4(9) . . ?
O2 N1 C6 119.0(9) . . ?
C8 N2 C1 118.5(9) . . ?
C8 N2 Ag1 119.5(7) . . ?
C1 N2 Ag1 122.0(7) . . ?
C9 N3 N4 120.2(8) . . ?
C9 N3 Ag1 117.0(6) . . ?
N4 N3 Ag1 120.0(6) . . ?
C14 N4 N3 118.2(9) . . ?
C14 N4 Ag2 118.2(7) . . ?
N3 N4 Ag2 118.8(6) . . ?
C15 N5 C22 118.6(13) . . ?
C15 N5 Ag2 119.5(7) . . ?
C22 N5 Ag2 121.4(11) . . ?
O1 N6 C16 130.1(17) . . ?
O1 N6 C17 112.1(13) . . ?
C16 N6 C17 117.6(14) . . ?
N1 O2 Ag3 121.5(7) . . ?
H1A O1W H1B 118.7 . . ?
F6 Sb2 F3 179.4(5) . . ?
F6 Sb2 F2 89.8(6) . . ?
F3 Sb2 F2 90.2(5) . . ?
F6 Sb2 F4 89.8(4) . . ?
F3 Sb2 F4 90.7(4) . . ?
F2 Sb2 F4 90.4(4) . . ?
F6 Sb2 F5 91.9(7) . . ?
F3 Sb2 F5 88.1(6) . . ?
F2 Sb2 F5 178.3(6) . . ?
F4 Sb2 F5 89.4(4) . . ?
F6 Sb2 F1 90.9(4) . . ?
F3 Sb2 F1 88.5(4) . . ?
F2 Sb2 F1 89.2(4) . . ?
F4 Sb2 F1 179.2(4) . . ?
F5 Sb2 F1 90.9(4) . . ?
F7 Sb1 F7 93.6(15) . 12 ?
F7 Sb1 F9 87.2(9) . 12 ?
F7 Sb1 F9 178.2(8) 12 12 ?
F7 Sb1 F9 178.2(8) . . ?
F7 Sb1 F9 87.2(9) 12 . ?
F9 Sb1 F9 92.0(11) 12 . ?
F7 Sb1 F8 90.2(7) . . ?
F7 Sb1 F8 90.5(7) 12 . ?
F9 Sb1 F8 91.2(6) 12 . ?
F9 Sb1 F8 88.1(5) . . ?
F7 Sb1 F8 90.5(7) . 12 ?
F7 Sb1 F8 90.2(7) 12 12 ?
F9 Sb1 F8 88.1(5) 12 12 ?
F9 Sb1 F8 91.2(6) . 12 ?
F8 Sb1 F8 179.0(9) . 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
N2 C1 C2 C3 -177.0(13) . . . . ?
C6 C1 C2 C3 2(2) . . . . ?
C1 C2 C3 C4 -2(3) . . . . ?
C2 C3 C4 C5 2(3) . . . . ?
C3 C4 C5 C6 -4(2) . . . . ?
N2 C1 C6 N1 -2.7(17) . . . . ?
C2 C1 C6 N1 178.0(11) . . . . ?
N2 C1 C6 C5 175.4(11) . . . . ?
C2 C1 C6 C5 -3.8(19) . . . . ?
C4 C5 C6 N1 -177.5(12) . . . . ?
C4 C5 C6 C1 4.4(19) . . . . ?
N1 C7 C8 N2 -3.4(17) . . . . ?
N1 C7 C8 C9 175.6(10) . . . . ?
N2 C8 C9 N3 -6.5(13) . . . . ?
C7 C8 C9 N3 174.4(9) . . . . ?
N2 C8 C9 C10 172.4(10) . . . . ?
C7 C8 C9 C10 -6.6(14) . . . . ?
N3 C9 C10 C11 -92.6(13) . . . . ?
C8 C9 C10 C11 88.6(12) . . . . ?
C12 C13 C14 N4 106.8(14) . . . . ?
C12 C13 C14 C15 -70.4(15) . . . . ?
N4 C14 C15 N5 -13.3(14) . . . . ?
C13 C14 C15 N5 164.3(11) . . . . ?
N4 C14 C15 C16 167.6(10) . . . . ?
C13 C14 C15 C16 -14.8(16) . . . . ?
N5 C15 C16 N6 1(2) . . . . ?
C14 C15 C16 N6 179.7(11) . . . . ?
N6 C17 C18 C19 -178.9(16) . . . . ?
C22 C17 C18 C19 0(2) . . . . ?
C17 C18 C19 C20 -1(3) . . . . ?
C18 C19 C20 C21 0(4) . . . . ?
C19 C20 C21 C22 1(3) . . . . ?
C20 C21 C22 N5 176.3(16) . . . . ?
C20 C21 C22 C17 -1(3) . . . . ?
N6 C17 C22 C21 -179.9(13) . . . . ?
C18 C17 C22 C21 1(2) . . . . ?
N6 C17 C22 N5 2.2(17) . . . . ?
C18 C17 C22 N5 -177.0(12) . . . . ?
Cl3 C23 Cl1 C23 83(4) . . . 7_665 ?
Cl2 C23 Cl1 C23 -69(3) . . . 7_665 ?
C8 C7 N1 O2 178.7(10) . . . . ?
C8 C7 N1 C6 2.3(16) . . . . ?
C1 C6 N1 C7 0.6(16) . . . . ?
C5 C6 N1 C7 -177.5(11) . . . . ?
C1 C6 N1 O2 -176.0(10) . . . . ?
C5 C6 N1 O2 5.9(16) . . . . ?
C7 C8 N2 C1 1.2(15) . . . . ?
C9 C8 N2 C1 -177.8(9) . . . . ?
C7 C8 N2 Ag1 -177.7(8) . . . . ?
C9 C8 N2 Ag1 3.3(12) . . . . ?
C2 C1 N2 C8 -179.0(11) . . . . ?
C6 C1 N2 C8 1.8(16) . . . . ?
C2 C1 N2 Ag1 -0.2(16) . . . . ?
C6 C1 N2 Ag1 -179.4(8) . . . . ?
N2 Ag1 N2 C8 144.0(8) 7_665 . . . ?
N3 Ag1 N2 C8 -0.1(7) . . . . ?
N3 Ag1 N2 C8 -77.8(8) 7_665 . . . ?
N2 Ag1 N2 C1 -34.8(8) 7_665 . . . ?
N3 Ag1 N2 C1 -179.0(9) . . . . ?
N3 Ag1 N2 C1 103.4(9) 7_665 . . . ?
C10 C9 N3 N4 -11.7(15) . . . . ?
C8 C9 N3 N4 167.2(8) . . . . ?
C10 C9 N3 Ag1 -172.6(8) . . . . ?
C8 C9 N3 Ag1 6.3(11) . . . . ?
N2 Ag1 N3 C9 -3.6(7) . . . . ?
N2 Ag1 N3 C9 -170.7(7) 7_665 . . . ?
N3 Ag1 N3 C9 122.8(8) 7_665 . . . ?
N2 Ag1 N3 N4 -164.6(8) . . . . ?
N2 Ag1 N3 N4 28.4(8) 7_665 . . . ?
N3 Ag1 N3 N4 -38.2(6) 7_665 . . . ?
C13 C14 N4 N3 -9.3(16) . . . . ?
C15 C14 N4 N3 168.2(8) . . . . ?
C13 C14 N4 Ag2 -164.4(9) . . . . ?
C15 C14 N4 Ag2 13.1(11) . . . . ?
C9 N3 N4 C14 116.5(11) . . . . ?
Ag1 N3 N4 C14 -83.1(10) . . . . ?
C9 N3 N4 Ag2 -88.4(10) . . . . ?
Ag1 N3 N4 Ag2 71.9(7) . . . . ?
N5 Ag2 N4 C14 -174.7(7) 7_665 . . . ?
N5 Ag2 N4 C14 -8.0(8) . . . . ?
N4 Ag2 N4 C14 117.6(9) 7_665 . . . ?
N5 Ag2 N4 N3 30.3(8) 7_665 . . . ?
N5 Ag2 N4 N3 -163.0(8) . . . . ?
N4 Ag2 N4 N3 -37.4(5) 7_665 . . . ?
C16 C15 N5 C22 -2.3(17) . . . . ?
C14 C15 N5 C22 178.6(10) . . . . ?
C16 C15 N5 Ag2 -174.1(9) . . . . ?
C14 C15 N5 Ag2 6.8(14) . . . . ?
C21 C22 N5 C15 -177.1(13) . . . . ?
C17 C22 N5 C15 0.8(16) . . . . ?
C21 C22 N5 Ag2 -5.4(17) . . . . ?
C17 C22 N5 Ag2 172.5(8) . . . . ?
N5 Ag2 N5 C15 143.2(9) 7_665 . . . ?
N4 Ag2 N5 C15 0.1(8) . . . . ?
N4 Ag2 N5 C15 -79.8(9) 7_665 . . . ?
N5 Ag2 N5 C22 -28.3(8) 7_665 . . . ?
N4 Ag2 N5 C22 -171.5(9) . . . . ?
N4 Ag2 N5 C22 108.7(9) 7_665 . . . ?
C15 C16 N6 O1 176.3(13) . . . . ?
C15 C16 N6 C17 2.5(18) . . . . ?
C18 C17 N6 O1 0.4(19) . . . . ?
C22 C17 N6 O1 -178.7(11) . . . . ?
C18 C17 N6 C16 175.4(13) . . . . ?
C22 C17 N6 C16 -3.7(17) . . . . ?
C7 N1 O2 Ag3 3.9(14) . . . . ?
C6 N1 O2 Ag3 -179.6(8) . . . . ?
O2 Ag3 O2 N1 153.8(9) 9_564 . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         4.065
_refine_diff_density_min         -2.101
_refine_diff_density_rms         0.178
_database_code_depnum_ccdc_archive 'CCDC 999724'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_121218bm

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H40 Ag3 F18 N12 O4 Sb3'
_chemical_formula_weight         1831.74

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           Hexagonal
_symmetry_space_group_name_H-M   P6(5)22

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

_cell_length_a                   15.825(5)
_cell_length_b                   15.825(5)
_cell_length_c                   43.703(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     9478(6)
_cell_formula_units_Z            6
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    10724
_cell_measurement_theta_min      2.384
_cell_measurement_theta_max      25.544

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5256
_exptl_absorpt_coefficient_mu    2.277
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7562
_exptl_absorpt_correction_T_max  0.8388
_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            49890
_diffrn_reflns_av_R_equivalents  0.1639
_diffrn_reflns_av_sigmaI/netI    0.0688
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         25.50
_reflns_number_total             5899
_reflns_number_gt                4936
_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)+(0.0718P)²+7.2420P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_chemical_absolute_configuration syn
_refine_ls_abs_structure_Flack   0.98(5)
_refine_ls_number_reflns         5899
_refine_ls_number_parameters     383
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0507
_refine_ls_wR_factor_ref         0.1304
_refine_ls_wR_factor_gt          0.1237
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.010
_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 0.413163(10) 0.586837(10) 0.0833 0.02550(7) Uani 1 2 d S . .
Ag2 Ag 0.247573(10) 0.752427(10) 0.0833 0.02494(7) Uani 1 2 d S . .
Ag3 Ag 0.54626(2) 0.773129(12) -0.0833 0.02992(7) Uani 1 2 d S . .
C1 C 0.58777(16) 0.66765(16) 0.03511(5) 0.0218(7) Uani 1 1 d . . .
C2 C 0.63950(17) 0.65174(19) 0.05893(6) 0.0325(8) Uani 1 1 d . . .
H2 H 0.6079 0.6249 0.0779 0.039 Uiso 1 1 calc R . .
C3 C 0.73437(17) 0.6748(2) 0.05479(7) 0.0417(9) Uani 1 1 d . . .
H3 H 0.7673 0.6614 0.0706 0.050 Uiso 1 1 calc R . .
C4 C 0.78456(18) 0.7192(2) 0.02689(7) 0.0371(9) Uani 1 1 d . . .
H4 H 0.8509 0.7361 0.0245 0.045 Uiso 1 1 calc R . .
C5 C 0.73790(16) 0.73747(17) 0.00352(6) 0.0267(7) Uani 1 1 d . . .
H5 H 0.7715 0.7688 -0.0147 0.032 Uiso 1 1 calc R . .
C6 C 0.64003(15) 0.70877(15) 0.00738(5) 0.0183(7) Uani 1 1 d . . .
C7 C 0.49610(15) 0.69965(15) -0.01200(6) 0.0193(7) Uani 1 1 d . . .
H7 H 0.4609 0.7084 -0.0281 0.023 Uiso 1 1 calc R . .
C8 C 0.45110(15) 0.66488(14) 0.01676(5) 0.0159(7) Uani 1 1 d . . .
C9 C 0.35199(16) 0.65086(16) 0.02149(6) 0.0203(7) Uani 1 1 d . . .
C10 C 0.30387(15) 0.67816(16) -0.00285(6) 0.0257(7) Uani 1 1 d . . .
H10A H 0.3540 0.7367 -0.0138 0.031 Uiso 1 1 calc R . .
H10B H 0.2575 0.6949 0.0068 0.031 Uiso 1 1 calc R . .
C11 C 0.2494(2) 0.5961(2) -0.02578(7) 0.0380(10) Uani 1 1 d . . .
H11A H 0.2944 0.5772 -0.0347 0.057 Uiso 1 1 calc R . .
H11B H 0.2225 0.6184 -0.0420 0.057 Uiso 1 1 calc R . .
H11C H 0.1961 0.5398 -0.0154 0.057 Uiso 1 1 calc R . .
C12 C 0.1292(2) 0.3704(2) 0.07719(8) 0.0521(12) Uani 1 1 d . . .
H12A H 0.1847 0.4090 0.0908 0.078 Uiso 1 1 calc R . .
H12B H 0.1335 0.3147 0.0692 0.078 Uiso 1 1 calc R . .
H12C H 0.0682 0.3467 0.0886 0.078 Uiso 1 1 calc R . .
C13 C 0.13125(18) 0.43402(17) 0.05054(7) 0.0286(8) Uani 1 1 d . . .
H13A H 0.1829 0.4427 0.0360 0.034 Uiso 1 1 calc R . .
H13B H 0.0680 0.3999 0.0396 0.034 Uiso 1 1 calc R . .
C14 C 0.14946(15) 0.53143(17) 0.06048(6) 0.0226(7) Uani 1 1 d . . .
C15 C 0.07175(15) 0.54193(17) 0.07609(6) 0.0229(7) Uani 1 1 d . . .
C16 C -0.02338(15) 0.46389(17) 0.07707(6) 0.0236(7) Uani 1 1 d . . .
H16 H -0.0375 0.4032 0.0684 0.028 Uiso 1 1 calc R . .
C17 C -0.07429(16) 0.56140(17) 0.10347(6) 0.0236(8) Uani 1 1 d . . .
C18 C -0.14741(18) 0.57504(19) 0.11522(7) 0.0355(9) Uani 1 1 d . . .
H18 H -0.2136 0.5241 0.1147 0.043 Uiso 1 1 calc R . .
C19 C -0.12234(19) 0.6632(2) 0.12751(7) 0.0443(10) Uani 1 1 d . . .
H19 H -0.1718 0.6733 0.1361 0.053 Uiso 1 1 calc R . .
C20 C -0.0243(2) 0.7409(2) 0.12796(7) 0.0440(10) Uani 1 1 d . . .
H20 H -0.0085 0.8017 0.1370 0.053 Uiso 1 1 calc R . .
C21 C 0.04601(18) 0.72796(18) 0.11559(7) 0.0314(9) Uani 1 1 d . . .
H21 H 0.1114 0.7806 0.1157 0.038 Uiso 1 1 calc R . .
C22 C 0.02517(16) 0.63737(17) 0.10232(6) 0.0242(7) Uani 1 1 d . . .
F1 F 0.48534(12) 0.48239(11) 0.99077(4) 0.0458(6) Uani 1 1 d . . .
F2 F 0.41790(13) 0.35229(14) 1.03561(4) 0.0522(7) Uani 1 1 d . . .
F3 F 0.40526(11) 0.29376(11) 0.97870(4) 0.0441(6) Uani 1 1 d . . .
F4 F 0.24640(10) 0.25969(11) 1.00888(4) 0.0400(5) Uani 1 1 d . . .
F5 F 0.31414(13) 0.39044(15) 0.96358(5) 0.0694(7) Uani 1 1 d . . .
F6 F 0.32482(13) 0.44616(12) 1.02083(5) 0.0764(7) Uani 1 1 d . . .
F7 F -0.08197(17) 0.4091(2) 0.18372(7) 0.1365(11) Uani 1 1 d . . .
F8 F 0.07371(13) 0.40812(16) 0.20302(4) 0.0676(8) Uani 1 1 d . . .
F9 F 0.08438(14) 0.3328(2) 0.15131(5) 0.1040(10) Uani 1 1 d . . .
N1 N 0.58633(13) 0.71986(13) -0.01648(4) 0.0180(6) Uani 1 1 d . . .
N2 N 0.49602(13) 0.64793(13) 0.03976(5) 0.0215(6) Uani 1 1 d . . .
N3 N 0.31257(13) 0.61222(13) 0.04712(5) 0.0197(6) Uani 1 1 d . . .
N4 N 0.22864(13) 0.61122(13) 0.05670(5) 0.0193(6) Uani 1 1 d . . .
N5 N 0.09657(14) 0.62856(14) 0.08927(5) 0.0255(6) Uani 1 1 d . . .
N6 N -0.09463(13) 0.47225(14) 0.08982(5) 0.0251(7) Uani 1 1 d . . .
O1 O -0.18444(12) 0.39857(12) 0.09033(5) 0.0355(6) Uani 1 1 d . . .
O2 O 0.62952(11) 0.74915(12) -0.04325(4) 0.0252(5) Uani 1 1 d . . .
Sb1 Sb 0.0000 0.37067(2) 0.1667 0.04121(8) Uani 1 2 d S . .
Sb2 Sb 0.365278(10) 0.370872(11) 0.999561(4) 0.02611(5) 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 N2 2.239(2) . ?
Ag1 N2 2.239(2) 10_665 ?
Ag1 N3 2.417(2) . ?
Ag1 N3 2.417(2) 10_665 ?
Ag2 N5 2.2217(18) 10_665 ?
Ag2 N5 2.2217(18) . ?
Ag2 N4 2.402(2) . ?
Ag2 N4 2.402(2) 10_665 ?
Ag3 O2 2.334(2) . ?
Ag3 O2 2.334(2) 12_564 ?
Ag3 O1 2.470(2) 6_664 ?
Ag3 O1 2.470(2) 8_665 ?
C1 N2 1.339(3) . ?
C1 C2 1.423(4) . ?
C1 C6 1.428(3) . ?
C2 C3 1.368(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.433(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.373(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.389(3) . ?
C5 H5 0.9500 . ?
C6 N1 1.410(3) . ?
C7 N1 1.313(3) . ?
C7 C8 1.413(3) . ?
C7 H7 0.9500 . ?
C8 N2 1.333(3) . ?
C8 C9 1.484(4) . ?
C9 N3 1.279(3) . ?
C9 C10 1.492(4) . ?
C10 C11 1.522(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.529(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.484(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 N4 1.269(2) . ?
C14 C15 1.487(4) . ?
C15 N5 1.352(3) . ?
C15 C16 1.391(3) . ?
C16 N6 1.322(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.378(4) . ?
C17 N6 1.413(3) . ?
C17 C22 1.426(3) . ?
C18 C19 1.357(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.418(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.341(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.424(4) . ?
C21 H21 0.9500 . ?
C22 N5 1.334(4) . ?
F1 Sb2 1.8759(14) . ?
F2 Sb2 1.872(2) . ?
F3 Sb2 1.869(2) . ?
F4 Sb2 1.8682(14) . ?
F5 Sb2 1.864(2) . ?
F6 Sb2 1.859(2) . ?
F7 Sb1 1.843(3) . ?
F8 Sb1 1.883(2) . ?
F9 Sb1 1.842(3) . ?
N1 O2 1.317(3) . ?
N3 N4 1.385(3) . ?
N6 O1 1.313(2) . ?
O1 Ag3 2.470(2) 5_455 ?
Sb1 F9 1.842(3) 9 ?
Sb1 F7 1.843(3) 9 ?
Sb1 F8 1.883(2) 9 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N2 164.69(12) . 10_665 ?
N2 Ag1 N3 70.33(8) . . ?
N2 Ag1 N3 121.80(7) 10_665 . ?
N2 Ag1 N3 121.80(7) . 10_665 ?
N2 Ag1 N3 70.33(8) 10_665 10_665 ?
N3 Ag1 N3 88.80(11) . 10_665 ?
N5 Ag2 N5 160.73(13) 10_665 . ?
N5 Ag2 N4 125.21(8) 10_665 . ?
N5 Ag2 N4 69.94(8) . . ?
N5 Ag2 N4 69.94(8) 10_665 10_665 ?
N5 Ag2 N4 125.21(8) . 10_665 ?
N4 Ag2 N4 91.52(10) . 10_665 ?
O2 Ag3 O2 121.47(7) . 12_564 ?
O2 Ag3 O1 124.25(7) . 6_664 ?
O2 Ag3 O1 97.96(6) 12_564 6_664 ?
O2 Ag3 O1 97.96(6) . 8_665 ?
O2 Ag3 O1 124.25(7) 12_564 8_665 ?
O1 Ag3 O1 88.36(9) 6_664 8_665 ?
N2 C1 C2 120.0(2) . . ?
N2 C1 C6 123.3(2) . . ?
C2 C1 C6 116.6(2) . . ?
C3 C2 C1 120.5(2) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 120.6(3) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 120.7(3) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 118.0(2) . . ?
C4 C5 H5 121.0 . . ?
C6 C5 H5 121.0 . . ?
C5 C6 N1 120.8(2) . . ?
C5 C6 C1 123.3(2) . . ?
N1 C6 C1 115.9(2) . . ?
N1 C7 C8 120.2(2) . . ?
N1 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
N2 C8 C7 122.2(2) . . ?
N2 C8 C9 119.7(2) . . ?
C7 C8 C9 118.1(2) . . ?
N3 C9 C8 114.8(2) . . ?
N3 C9 C10 124.4(2) . . ?
C8 C9 C10 120.8(2) . . ?
C9 C10 C11 112.1(2) . . ?
C9 C10 H10A 109.2 . . ?
C11 C10 H10A 109.2 . . ?
C9 C10 H10B 109.2 . . ?
C11 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C12 113.0(2) . . ?
C14 C13 H13A 109.0 . . ?
C12 C13 H13A 109.0 . . ?
C14 C13 H13B 109.0 . . ?
C12 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
N4 C14 C13 125.3(3) . . ?
N4 C14 C15 114.1(2) . . ?
C13 C14 C15 120.55(18) . . ?
N5 C15 C16 121.6(2) . . ?
N5 C15 C14 118.16(17) . . ?
C16 C15 C14 120.2(2) . . ?
N6 C16 C15 121.5(2) . . ?
N6 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C18 C17 N6 121.60(19) . . ?
C18 C17 C22 122.7(2) . . ?
N6 C17 C22 115.6(2) . . ?
C19 C18 C17 118.2(2) . . ?
C19 C18 H18 120.9 . . ?
C17 C18 H18 120.9 . . ?
C18 C19 C20 121.8(3) . . ?
C18 C19 H19 119.1 . . ?
C20 C19 H19 119.1 . . ?
C21 C20 C19 119.6(3) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C20 C21 C22 121.7(2) . . ?
C20 C21 H21 119.1 . . ?
C22 C21 H21 119.1 . . ?
N5 C22 C21 119.84(19) . . ?
N5 C22 C17 124.2(2) . . ?
C21 C22 C17 115.9(3) . . ?
C7 N1 O2 121.9(2) . . ?
C7 N1 C6 120.6(2) . . ?
O2 N1 C6 117.5(2) . . ?
C8 N2 C1 117.6(2) . . ?
C8 N2 Ag1 118.15(15) . . ?
C1 N2 Ag1 124.21(17) . . ?
C9 N3 N4 120.4(2) . . ?
C9 N3 Ag1 116.65(18) . . ?
N4 N3 Ag1 120.52(15) . . ?
C14 N4 N3 121.0(2) . . ?
C14 N4 Ag2 117.68(19) . . ?
N3 N4 Ag2 117.58(11) . . ?
C22 N5 C15 117.16(18) . . ?
C22 N5 Ag2 123.46(16) . . ?
C15 N5 Ag2 118.94(17) . . ?
O1 N6 C16 121.1(2) . . ?
O1 N6 C17 119.0(2) . . ?
C16 N6 C17 119.87(18) . . ?
N6 O1 Ag3 123.58(18) . 5_455 ?
N1 O2 Ag3 119.23(15) . . ?
F9 Sb1 F9 93.11(16) 9 . ?
F9 Sb1 F7 86.47(11) 9 . ?
F9 Sb1 F7 177.45(12) . . ?
F9 Sb1 F7 177.45(12) 9 9 ?
F9 Sb1 F7 86.47(12) . 9 ?
F7 Sb1 F7 94.05(17) . 9 ?
F9 Sb1 F8 91.89(9) 9 . ?
F9 Sb1 F8 88.51(10) . . ?
F7 Sb1 F8 88.98(12) . . ?
F7 Sb1 F8 90.62(11) 9 . ?
F9 Sb1 F8 88.51(10) 9 9 ?
F9 Sb1 F8 91.89(9) . 9 ?
F7 Sb1 F8 90.62(11) . 9 ?
F7 Sb1 F8 88.98(12) 9 9 ?
F8 Sb1 F8 179.42(17) . 9 ?
F6 Sb2 F5 89.90(11) . . ?
F6 Sb2 F4 89.27(8) . . ?
F5 Sb2 F4 91.37(8) . . ?
F6 Sb2 F3 179.07(9) . . ?
F5 Sb2 F3 90.79(10) . . ?
F4 Sb2 F3 90.09(7) . . ?
F6 Sb2 F2 90.15(11) . . ?
F5 Sb2 F2 179.42(8) . . ?
F4 Sb2 F2 89.21(7) . . ?
F3 Sb2 F2 89.17(10) . . ?
F6 Sb2 F1 90.63(8) . . ?
F5 Sb2 F1 89.45(8) . . ?
F4 Sb2 F1 179.17(8) . . ?
F3 Sb2 F1 90.00(8) . . ?
F2 Sb2 F1 89.96(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C1 C2 C3 -177.7(3) . . . . ?
C6 C1 C2 C3 -0.4(4) . . . . ?
C1 C2 C3 C4 2.6(4) . . . . ?
C2 C3 C4 C5 -1.4(5) . . . . ?
C3 C4 C5 C6 -2.1(4) . . . . ?
C4 C5 C6 N1 -176.0(2) . . . . ?
C4 C5 C6 C1 4.5(4) . . . . ?
N2 C1 C6 C5 173.9(2) . . . . ?
C2 C1 C6 C5 -3.3(4) . . . . ?
N2 C1 C6 N1 -5.6(3) . . . . ?
C2 C1 C6 N1 177.2(2) . . . . ?
N1 C7 C8 N2 -2.5(3) . . . . ?
N1 C7 C8 C9 175.1(2) . . . . ?
N2 C8 C9 N3 -7.5(3) . . . . ?
C7 C8 C9 N3 174.9(2) . . . . ?
N2 C8 C9 C10 174.2(2) . . . . ?
C7 C8 C9 C10 -3.4(3) . . . . ?
N3 C9 C10 C11 -91.8(3) . . . . ?
C8 C9 C10 C11 86.4(2) . . . . ?
C12 C13 C14 N4 106.5(3) . . . . ?
C12 C13 C14 C15 -73.9(3) . . . . ?
N4 C14 C15 N5 -11.5(4) . . . . ?
C13 C14 C15 N5 168.9(2) . . . . ?
N4 C14 C15 C16 168.9(2) . . . . ?
C13 C14 C15 C16 -10.7(4) . . . . ?
N5 C15 C16 N6 2.9(4) . . . . ?
C14 C15 C16 N6 -177.5(2) . . . . ?
N6 C17 C18 C19 -178.9(3) . . . . ?
C22 C17 C18 C19 -3.3(4) . . . . ?
C17 C18 C19 C20 1.2(5) . . . . ?
C18 C19 C20 C21 0.9(5) . . . . ?
C19 C20 C21 C22 -1.0(5) . . . . ?
C20 C21 C22 N5 177.6(3) . . . . ?
C20 C21 C22 C17 -1.0(4) . . . . ?
C18 C17 C22 N5 -175.3(3) . . . . ?
N6 C17 C22 N5 0.5(4) . . . . ?
C18 C17 C22 C21 3.2(4) . . . . ?
N6 C17 C22 C21 179.0(2) . . . . ?
C8 C7 N1 O2 177.6(2) . . . . ?
C8 C7 N1 C6 -1.0(3) . . . . ?
C5 C6 N1 C7 -174.8(2) . . . . ?
C1 C6 N1 C7 4.8(3) . . . . ?
C5 C6 N1 O2 6.5(3) . . . . ?
C1 C6 N1 O2 -173.9(2) . . . . ?
C7 C8 N2 C1 1.9(3) . . . . ?
C9 C8 N2 C1 -175.7(2) . . . . ?
C7 C8 N2 Ag1 -177.41(16) . . . . ?
C9 C8 N2 Ag1 5.0(3) . . . . ?
C2 C1 N2 C8 179.5(2) . . . . ?
C6 C1 N2 C8 2.3(3) . . . . ?
C2 C1 N2 Ag1 -1.3(3) . . . . ?
C6 C1 N2 Ag1 -178.47(17) . . . . ?
N2 Ag1 N2 C8 143.11(17) 10_665 . . . ?
N3 Ag1 N2 C8 -1.34(16) . . . . ?
N3 Ag1 N2 C8 -76.99(17) 10_665 . . . ?
N2 Ag1 N2 C1 -36.11(18) 10_665 . . . ?
N3 Ag1 N2 C1 179.4(2) . . . . ?
N3 Ag1 N2 C1 103.8(2) 10_665 . . . ?
C8 C9 N3 N4 168.35(18) . . . . ?
C10 C9 N3 N4 -13.4(3) . . . . ?
C8 C9 N3 Ag1 6.0(3) . . . . ?
C10 C9 N3 Ag1 -175.78(17) . . . . ?
N2 Ag1 N3 C9 -2.82(17) . . . . ?
N2 Ag1 N3 C9 -172.41(16) 10_665 . . . ?
N3 Ag1 N3 C9 121.73(18) 10_665 . . . ?
N2 Ag1 N3 N4 -165.15(16) . . . . ?
N2 Ag1 N3 N4 25.26(17) 10_665 . . . ?
N3 Ag1 N3 N4 -40.59(13) 10_665 . . . ?
C13 C14 N4 N3 -11.0(4) . . . . ?
C15 C14 N4 N3 169.4(2) . . . . ?
C13 C14 N4 Ag2 -168.6(2) . . . . ?
C15 C14 N4 Ag2 11.7(3) . . . . ?
C9 N3 N4 C14 116.7(3) . . . . ?
Ag1 N3 N4 C14 -81.6(2) . . . . ?
C9 N3 N4 Ag2 -85.6(2) . . . . ?
Ag1 N3 N4 Ag2 76.05(17) . . . . ?
N5 Ag2 N4 C14 -173.63(19) 10_665 . . . ?
N5 Ag2 N4 C14 -7.15(19) . . . . ?
N4 Ag2 N4 C14 120.0(2) 10_665 . . . ?
N5 Ag2 N4 N3 27.9(2) 10_665 . . . ?
N5 Ag2 N4 N3 -165.59(18) . . . . ?
N4 Ag2 N4 N3 -38.41(14) 10_665 . . . ?
C21 C22 N5 C15 -177.7(3) . . . . ?
C17 C22 N5 C15 0.8(4) . . . . ?
C21 C22 N5 Ag2 -5.3(4) . . . . ?
C17 C22 N5 Ag2 173.1(2) . . . . ?
C16 C15 N5 C22 -2.4(4) . . . . ?
C14 C15 N5 C22 178.0(2) . . . . ?
C16 C15 N5 Ag2 -175.2(2) . . . . ?
C14 C15 N5 Ag2 5.2(3) . . . . ?
N5 Ag2 N5 C22 -27.1(2) 10_665 . . . ?
N4 Ag2 N5 C22 -171.8(2) . . . . ?
N4 Ag2 N5 C22 111.1(2) 10_665 . . . ?
N5 Ag2 N5 C15 145.1(2) 10_665 . . . ?
N4 Ag2 N5 C15 0.48(19) . . . . ?
N4 Ag2 N5 C15 -76.6(2) 10_665 . . . ?
C15 C16 N6 O1 179.2(2) . . . . ?
C15 C16 N6 C17 -1.5(4) . . . . ?
C18 C17 N6 O1 -4.9(4) . . . . ?
C22 C17 N6 O1 179.2(2) . . . . ?
C18 C17 N6 C16 175.7(3) . . . . ?
C22 C17 N6 C16 -0.1(4) . . . . ?
C16 N6 O1 Ag3 19.6(3) . . . 5_455 ?
C17 N6 O1 Ag3 -159.70(18) . . . 5_455 ?
C7 N1 O2 Ag3 3.0(3) . . . . ?
C6 N1 O2 Ag3 -178.32(14) . . . . ?
O2 Ag3 O2 N1 154.66(17) 12_564 . . . ?
O1 Ag3 O2 N1 26.86(17) 6_664 . . . ?
O1 Ag3 O2 N1 -66.59(16) 8_665 . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.299
_refine_diff_density_min         -1.481
_refine_diff_density_rms         0.140
_database_code_depnum_ccdc_archive 'CCDC 999725'
