# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 186/1745
 
data_probe1 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C56 H40 Ag B F4 N4 O4' 
_chemical_formula_weight          1027.60 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
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' 
 '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' 
 
_symmetry_cell_setting            ? 
_symmetry_space_group_name_H-M    ? 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    11.448(2) 
_cell_length_b                    11.891(2) 
_cell_length_c                    18.190(4) 
_cell_angle_alpha                 72.08(3) 
_cell_angle_beta                  89.71(3) 
_cell_angle_gamma                 78.22(3) 
_cell_volume                      2302.0(8) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     203(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.483 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1048 
_exptl_absorpt_coefficient_mu     0.508 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       203(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        ? 
_diffrn_measurement_method        ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             12850 
_diffrn_reflns_av_R_equivalents   0.0301 
_diffrn_reflns_av_sigmaI/netI     0.0258 
_diffrn_reflns_limit_h_min        -15 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        -23 
_diffrn_reflns_limit_l_max        21 
_diffrn_reflns_theta_min          2.30 
_diffrn_reflns_theta_max          28.01 
_reflns_number_total              9177 
_reflns_number_observed           7901 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 1 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.2707P)^2^+15.8773P] 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     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          9176 
_refine_ls_number_parameters      791 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0506 
_refine_ls_R_factor_obs           0.0426 
_refine_ls_wR_factor_all          0.1554 
_refine_ls_wR_factor_obs          0.1214 
_refine_ls_goodness_of_fit_all    0.378 
_refine_ls_goodness_of_fit_obs    0.321 
_refine_ls_restrained_S_all       0.380 
_refine_ls_restrained_S_obs       0.321 
_refine_ls_shift/esd_max          0.434 
_refine_ls_shift/esd_mean         0.015 
 
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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Ag1 Ag 0.21396(2) 0.08594(2) 0.337565(12) 0.04480(11) Uani 1 d . . 
N1 N 0.2961(2) -0.0660(2) 0.45448(13) 0.0338(4) Uani 1 d . . 
C1 C 0.3022(2) -0.1843(3) 0.4720(2) 0.0378(5) Uani 1 d . . 
C2 C 0.3652(3) -0.2678(3) 0.5398(2) 0.0433(6) Uani 1 d . . 
C3 C 0.4146(3) -0.2265(3) 0.5920(2) 0.0454(7) Uani 1 d . . 
C4 C 0.4016(2) -0.1005(3) 0.5772(2) 0.0387(6) Uani 1 d . . 
C5 C 0.3446(2) -0.0234(3) 0.50531(15) 0.0337(5) Uani 1 d . . 
C6 C 0.4406(3) -0.0489(3) 0.6321(2) 0.0445(7) Uani 1 d . . 
C7 C 0.4199(3) 0.0708(3) 0.6171(2) 0.0454(7) Uani 1 d . . 
C8 C 0.3649(2) 0.1531(3) 0.5435(2) 0.0391(6) Uani 1 d . . 
C9 C 0.3315(2) 0.1056(3) 0.48657(15) 0.0329(5) Uani 1 d . . 
N2 N 0.2809(2) 0.1791(2) 0.41536(13) 0.0336(4) Uani 1 d . . 
C10 C 0.2600(3) 0.2981(3) 0.4002(2) 0.0373(5) Uani 1 d . . 
C11 C 0.2889(3) 0.3523(3) 0.4548(2) 0.0444(6) Uani 1 d . . 
C12 C 0.3410(3) 0.2796(3) 0.5258(2) 0.0457(7) Uani 1 d . . 
C13 C 0.1968(3) 0.3751(3) 0.3239(2) 0.0400(6) Uani 1 d . . 
C14 C 0.0718(3) 0.4147(3) 0.3222(2) 0.0460(7) Uani 1 d . . 
C15 C 0.0088(4) 0.4917(3) 0.2529(2) 0.0549(8) Uani 1 d . . 
C16 C 0.0699(4) 0.5275(3) 0.1880(2) 0.0581(9) Uani 1 d . . 
C17 C 0.1928(4) 0.4904(3) 0.1880(2) 0.0542(8) Uani 1 d . . 
C18 C 0.2561(3) 0.4144(3) 0.2571(2) 0.0444(6) Uani 1 d . . 
O1 O 0.0217(2) 0.3739(3) 0.3904(2) 0.0598(6) Uani 1 d . . 
C19 C -0.0959(5) 0.4372(6) 0.3990(4) 0.082(2) Uani 1 d . . 
O2 O 0.3792(2) 0.3772(3) 0.26382(14) 0.0566(6) Uani 1 d . . 
C20 C 0.4458(5) 0.4383(5) 0.2029(2) 0.0666(10) Uani 1 d . . 
C21 C 0.2339(3) -0.2236(3) 0.4181(2) 0.0406(6) Uani 1 d . . 
C22 C 0.2904(3) -0.2914(3) 0.3729(2) 0.0477(7) Uani 1 d . . 
C23 C 0.2243(4) -0.3218(3) 0.3207(2) 0.0562(8) Uani 1 d . . 
C24 C 0.1002(4) -0.2859(4) 0.3166(3) 0.0623(10) Uani 1 d . . 
C25 C 0.0416(4) -0.2220(4) 0.3614(2) 0.0546(8) Uani 1 d . . 
C26 C 0.1084(3) -0.1897(3) 0.4126(2) 0.0458(7) Uani 1 d . . 
O3 O 0.4135(2) -0.3221(3) 0.3828(2) 0.0584(6) Uani 1 d . . 
C27 C 0.4753(5) -0.3940(5) 0.3387(3) 0.0689(11) Uani 1 d . . 
O4 O 0.0606(2) -0.1264(3) 0.4602(2) 0.0544(6) Uani 1 d . . 
C28 C -0.0667(3) -0.1037(5) 0.4646(3) 0.0617(10) Uani 1 d . . 
C29 C -0.5193(4) 0.1423(5) 0.0336(3) 0.0624(10) Uani 1 d . . 
C30 C -0.6237(5) 0.1611(5) -0.0101(3) 0.0748(13) Uani 1 d . . 
C31 C -0.7306(4) 0.2074(5) 0.0147(3) 0.0748(14) Uani 1 d . . 
C32 C -0.7348(4) 0.2356(4) 0.0830(3) 0.0697(12) Uani 1 d . . 
C33 C -0.6296(3) 0.2157(4) 0.1284(3) 0.0596(9) Uani 1 d . . 
C34 C -0.5199(3) 0.1689(3) 0.1031(2) 0.0516(8) Uani 1 d . . 
C35 C -0.4099(3) 0.1500(4) 0.1469(2) 0.0511(7) Uani 1 d . . 
C36 C -0.3155(3) 0.1365(4) 0.1802(2) 0.0508(7) Uani 1 d . . 
C37 C -0.2009(3) 0.1278(3) 0.2155(2) 0.0474(7) Uani 1 d . . 
C38 C -0.1896(3) 0.1849(4) 0.2698(2) 0.0532(8) Uani 1 d . . 
C39 C -0.0768(3) 0.1780(4) 0.3014(2) 0.0527(8) Uani 1 d . . 
N3 N 0.0243(2) 0.1199(3) 0.2805(2) 0.0441(6) Uani 1 d . . 
C40 C 0.0161(3) 0.0642(3) 0.2271(2) 0.0406(6) Uani 1 d . . 
C41 C -0.0947(3) 0.0624(3) 0.1937(2) 0.0438(6) Uani 1 d . . 
C42 C -0.0968(3) -0.0012(4) 0.1388(2) 0.0508(8) Uani 1 d . . 
C43 C 0.0052(3) -0.0591(4) 0.1175(2) 0.0501(7) Uani 1 d . . 
C44 C 0.1203(3) -0.0576(3) 0.1484(2) 0.0427(6) Uani 1 d . . 
C45 C 0.1262(3) 0.0027(3) 0.2041(2) 0.0385(6) Uani 1 d . . 
N4 N 0.2316(2) 0.0048(2) 0.23665(15) 0.0404(5) Uani 1 d . . 
C46 C 0.3320(3) -0.0522(3) 0.2153(2) 0.0463(7) Uani 1 d . . 
C47 C 0.3362(3) -0.1129(3) 0.1607(2) 0.0461(7) Uani 1 d . . 
C48 C 0.2297(3) -0.1184(3) 0.1276(2) 0.0443(6) Uani 1 d . . 
C49 C 0.2290(3) -0.1863(3) 0.0751(2) 0.0485(7) Uani 1 d . . 
C50 C 0.2266(3) -0.2483(3) 0.0345(2) 0.0494(7) Uani 1 d . . 
C51 C 0.2194(3) -0.3254(3) -0.0112(2) 0.0468(7) Uani 1 d . . 
C52 C 0.1081(4) -0.3248(4) -0.0432(3) 0.0599(9) Uani 1 d . . 
C53 C 0.1006(5) -0.3991(5) -0.0866(3) 0.0715(12) Uani 1 d . . 
C54 C 0.2019(5) -0.4771(5) -0.0984(3) 0.0683(11) Uani 1 d . . 
C55 C 0.3114(4) -0.4785(4) -0.0666(3) 0.0626(9) Uani 1 d . . 
C56 C 0.3215(4) -0.4038(4) -0.0235(2) 0.0562(8) Uani 1 d . . 
H1 H 0.3679(35) -0.3550(41) 0.5483(26) 0.049(10) Uiso 1 d . . 
H2 H 0.4525(34) -0.2839(39) 0.6429(26) 0.048(10) Uiso 1 d . . 
H3 H 0.4764(39) -0.1128(44) 0.6867(29) 0.060(12) Uiso 1 d . . 
H4 H 0.4336(36) 0.1120(40) 0.6509(26) 0.050(10) Uiso 1 d . . 
H5 H 0.3524(36) 0.3153(41) 0.5636(28) 0.053(11) Uiso 1 d . . 
H6 H 0.2705(34) 0.4427(41) 0.4401(26) 0.048(10) Uiso 1 d . . 
H7 H 0.4141(47) 0.5335(57) 0.1895(34) 0.078(15) Uiso 1 d . . 
H8 H 0.4248(53) 0.4138(59) 0.1577(42) 0.091(18) Uiso 1 d . . 
H9 H 0.5265(54) 0.4031(58) 0.2263(39) 0.084(17) Uiso 1 d . . 
H10 H 0.2244(39) 0.5143(45) 0.1521(31) 0.056(12) Uiso 1 d . . 
H11 H 0.0273(40) 0.5823(45) 0.1356(30) 0.060(12) Uiso 1 d . . 
H12 H -0.0610(48) 0.5200(50) 0.2558(33) 0.069(14) Uiso 1 d . . 
H13 H -0.1013(45) 0.5263(55) 0.3839(34) 0.072(14) Uiso 1 d . . 
H14 H -0.1136(46) 0.4052(52) 0.4531(37) 0.072(15) Uiso 1 d . . 
H15 H -0.1500(81) 0.4234(89) 0.3701(61) 0.143(33) Uiso 1 d . . 
H16 H 0.5554(57) -0.4156(59) 0.3569(40) 0.089(18) Uiso 1 d . . 
H17 H 0.4572(50) -0.3484(56) 0.2823(40) 0.082(16) Uiso 1 d . . 
H18 H 0.4497(45) -0.4719(53) 0.3513(33) 0.071(14) Uiso 1 d . . 
H19 H 0.2656(42) -0.3614(49) 0.2885(32) 0.065(13) Uiso 1 d . . 
H20 H 0.0554(48) -0.3035(54) 0.2762(36) 0.079(16) Uiso 1 d . . 
H21 H -0.0409(42) -0.2023(44) 0.3552(29) 0.060(12) Uiso 1 d . . 
H22 H -0.0928(37) -0.1697(42) 0.4778(27) 0.049(10) Uiso 1 d . . 
H23 H -0.0871(40) -0.0634(46) 0.5039(31) 0.060(12) Uiso 1 d . . 
H24 H -0.0983(48) -0.0573(53) 0.4091(36) 0.076(15) Uiso 1 d . . 
H25 H -0.4444(60) 0.0984(66) 0.0177(45) 0.104(21) Uiso 1 d . . 
H26 H -0.6153(51) 0.1418(58) -0.0614(40) 0.087(17) Uiso 1 d . . 
H27 H -0.8071(41) 0.2183(44) -0.0132(29) 0.058(12) Uiso 1 d . . 
H28 H -0.8042(47) 0.2707(49) 0.0925(32) 0.067(14) Uiso 1 d . . 
H29 H -0.6210(45) 0.2376(50) 0.1811(35) 0.072(14) Uiso 1 d . . 
H30 H -0.2562(40) 0.2324(44) 0.2872(29) 0.059(12) Uiso 1 d . . 
H31 H -0.0683(36) 0.2166(41) 0.3395(27) 0.052(11) Uiso 1 d . . 
H32 H -0.1813(39) -0.0008(42) 0.1193(28) 0.056(12) Uiso 1 d . . 
H33 H 0.0020(36) -0.1049(41) 0.0813(27) 0.051(11) Uiso 1 d . . 
H34 H 0.4161(32) -0.1508(36) 0.1462(23) 0.040(9) Uiso 1 d . . 
H35 H 0.3981(39) -0.0503(41) 0.2349(28) 0.054(11) Uiso 1 d . . 
H36 H 0.0337(44) -0.2711(48) -0.0298(32) 0.067(13) Uiso 1 d . . 
H37 H 0.0128(56) -0.3891(61) -0.1092(41) 0.095(19) Uiso 1 d . . 
H38 H 0.1968(59) -0.5197(67) -0.1355(45) 0.104(21) Uiso 1 d . . 
H39 H 0.3811(39) -0.5307(44) -0.0721(27) 0.053(11) Uiso 1 d . . 
H40 H 0.3993(46) -0.4031(49) -0.0025(33) 0.069(14) Uiso 1 d . . 
B1 B 0.7148(5) 0.7303(6) 0.2275(4) 0.0762(14) Uani 1 d . . 
F1 F 0.7995(3) 0.7476(4) 0.1749(2) 0.0989(10) Uani 1 d . . 
F2 F 0.6149(3) 0.8202(4) 0.2081(3) 0.1091(13) Uani 1 d . . 
F3 F 0.7554(5) 0.7162(6) 0.2992(3) 0.155(3) Uani 1 d . . 
F4 F 0.6904(5) 0.6192(6) 0.2303(4) 0.159(2) Uani 1 d . . 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Ag1 0.0577(2) 0.0449(2) 0.03464(14) -0.01451(10) -0.01032(10) -0.01385(11) 
N1 0.0346(9) 0.0351(11) 0.0330(10) -0.0115(9) 0.0016(8) -0.0089(8) 
C1 0.0383(12) 0.0366(14) 0.0391(13) -0.0121(11) 0.0041(10) -0.0093(10) 
C2 0.0459(14) 0.0352(15) 0.0433(15) -0.0073(12) 0.0035(12) -0.0045(11) 
C3 0.0419(13) 0.046(2) 0.0385(14) -0.0036(12) -0.0008(11) -0.0016(11) 
C4 0.0336(11) 0.048(2) 0.0310(12) -0.0093(11) 0.0008(9) -0.0058(10) 
C5 0.0306(10) 0.0395(14) 0.0292(11) -0.0081(10) 0.0008(9) -0.0077(9) 
C6 0.0400(13) 0.060(2) 0.0297(12) -0.0105(12) -0.0042(10) -0.0079(12) 
C7 0.0472(14) 0.061(2) 0.0317(13) -0.0189(13) -0.0033(11) -0.0129(13) 
C8 0.0374(12) 0.053(2) 0.0321(12) -0.0196(12) -0.0005(10) -0.0109(11) 
C9 0.0322(10) 0.0397(14) 0.0285(11) -0.0120(10) 0.0001(9) -0.0094(9) 
N2 0.0378(10) 0.0358(12) 0.0295(10) -0.0117(9) -0.0011(8) -0.0102(8) 
C10 0.0430(13) 0.0391(14) 0.0322(12) -0.0126(11) -0.0004(10) -0.0117(11) 
C11 0.054(2) 0.042(2) 0.044(2) -0.0213(13) -0.0009(12) -0.0124(13) 
C12 0.053(2) 0.053(2) 0.0405(15) -0.0256(14) -0.0011(12) -0.0161(14) 
C13 0.0498(14) 0.0309(13) 0.0408(14) -0.0136(11) -0.0063(11) -0.0078(11) 
C14 0.053(2) 0.0359(15) 0.048(2) -0.0107(12) -0.0047(13) -0.0101(12) 
C15 0.058(2) 0.042(2) 0.060(2) -0.011(2) -0.015(2) -0.0071(14) 
C16 0.076(2) 0.043(2) 0.050(2) -0.0105(15) -0.021(2) -0.007(2) 
C17 0.078(2) 0.049(2) 0.0322(14) -0.0060(13) -0.005(2) -0.015(2) 
C18 0.056(2) 0.042(2) 0.0372(14) -0.0149(12) -0.0036(12) -0.0089(13) 
O1 0.0488(12) 0.058(2) 0.0599(15) -0.0044(12) 0.0009(11) -0.0056(10) 
C19 0.062(2) 0.073(3) 0.089(4) -0.007(3) 0.014(2) 0.003(2) 
O2 0.0571(13) 0.070(2) 0.0370(11) -0.0101(11) 0.0028(10) -0.0108(11) 
C20 0.075(2) 0.079(3) 0.043(2) -0.012(2) 0.011(2) -0.022(2) 
C21 0.0481(14) 0.0339(14) 0.0410(14) -0.0112(11) 0.0010(12) -0.0123(11) 
C22 0.064(2) 0.0319(15) 0.048(2) -0.0120(12) 0.0025(14) -0.0121(13) 
C23 0.085(2) 0.039(2) 0.053(2) -0.0215(15) 0.005(2) -0.021(2) 
C24 0.090(3) 0.048(2) 0.057(2) -0.016(2) -0.010(2) -0.033(2) 
C25 0.059(2) 0.051(2) 0.057(2) -0.012(2) -0.007(2) -0.025(2) 
C26 0.051(2) 0.041(2) 0.048(2) -0.0120(13) 0.0011(13) -0.0179(12) 
O3 0.0616(14) 0.053(2) 0.068(2) -0.0344(13) 0.0089(12) -0.0043(11) 
C27 0.081(3) 0.057(3) 0.073(3) -0.034(2) 0.015(2) -0.002(2) 
O4 0.0385(10) 0.071(2) 0.063(2) -0.0313(13) 0.0063(10) -0.0148(10) 
C28 0.041(2) 0.071(3) 0.076(3) -0.023(2) 0.005(2) -0.018(2) 
C29 0.056(2) 0.079(3) 0.055(2) -0.023(2) 0.003(2) -0.017(2) 
C30 0.075(3) 0.089(3) 0.059(2) -0.020(2) -0.013(2) -0.019(2) 
C31 0.065(2) 0.073(3) 0.076(3) -0.004(2) -0.022(2) -0.020(2) 
C32 0.049(2) 0.062(2) 0.090(3) -0.013(2) 0.000(2) -0.010(2) 
C33 0.054(2) 0.055(2) 0.066(2) -0.014(2) 0.001(2) -0.011(2) 
C34 0.048(2) 0.053(2) 0.051(2) -0.0102(15) -0.0002(14) -0.0143(14) 
C35 0.048(2) 0.058(2) 0.046(2) -0.0128(15) 0.0044(14) -0.0153(14) 
C36 0.048(2) 0.059(2) 0.043(2) -0.0131(14) 0.0006(13) -0.0111(14) 
C37 0.0470(15) 0.050(2) 0.042(2) -0.0094(13) -0.0022(12) -0.0114(13) 
C38 0.052(2) 0.060(2) 0.048(2) -0.019(2) 0.0039(14) -0.0090(15) 
C39 0.058(2) 0.058(2) 0.048(2) -0.026(2) 0.0002(14) -0.012(2) 
N3 0.0502(13) 0.0432(14) 0.0421(13) -0.0180(11) -0.0027(10) -0.0100(11) 
C40 0.0505(14) 0.0376(15) 0.0334(12) -0.0096(11) -0.0061(11) -0.0112(11) 
C41 0.0479(14) 0.046(2) 0.0370(14) -0.0103(12) -0.0056(12) -0.0129(12) 
C42 0.050(2) 0.056(2) 0.050(2) -0.0205(15) -0.0095(14) -0.0133(14) 
C43 0.056(2) 0.056(2) 0.045(2) -0.0235(14) -0.0087(14) -0.0147(15) 
C44 0.0519(15) 0.042(2) 0.0364(13) -0.0153(12) -0.0060(12) -0.0099(12) 
C45 0.0487(14) 0.0384(14) 0.0297(12) -0.0101(10) -0.0048(11) -0.0126(11) 
N4 0.0457(12) 0.0412(13) 0.0344(11) -0.0101(10) -0.0051(10) -0.0120(10) 
C46 0.0471(15) 0.049(2) 0.044(2) -0.0155(13) -0.0071(12) -0.0113(13) 
C47 0.051(2) 0.047(2) 0.0406(15) -0.0155(13) -0.0034(12) -0.0087(13) 
C48 0.054(2) 0.041(2) 0.0400(14) -0.0150(12) -0.0035(12) -0.0119(12) 
C49 0.054(2) 0.048(2) 0.044(2) -0.0166(13) -0.0024(13) -0.0108(13) 
C50 0.058(2) 0.052(2) 0.0402(15) -0.0166(13) 0.0001(13) -0.0134(14) 
C51 0.064(2) 0.045(2) 0.0344(13) -0.0138(12) 0.0033(13) -0.0153(14) 
C52 0.062(2) 0.064(2) 0.060(2) -0.029(2) -0.004(2) -0.010(2) 
C53 0.077(3) 0.071(3) 0.078(3) -0.041(2) -0.012(2) -0.013(2) 
C54 0.093(3) 0.062(3) 0.061(2) -0.034(2) -0.001(2) -0.017(2) 
C55 0.079(2) 0.052(2) 0.060(2) -0.025(2) 0.015(2) -0.011(2) 
C56 0.062(2) 0.057(2) 0.052(2) -0.018(2) 0.006(2) -0.015(2) 
B1 0.067(3) 0.078(4) 0.076(3) -0.024(3) 0.001(2) 0.003(2) 
F1 0.074(2) 0.121(3) 0.089(2) -0.018(2) 0.009(2) -0.016(2) 
F2 0.076(2) 0.116(3) 0.118(3) -0.041(2) -0.023(2) 0.025(2) 
F3 0.146(4) 0.194(5) 0.081(3) -0.048(3) -0.031(3) 0.066(4) 
F4 0.164(4) 0.143(5) 0.225(7) -0.113(5) 0.116(4) -0.071(3) 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Ag1 N2 2.266(2) . ? 
Ag1 N4 2.312(3) . ? 
Ag1 N3 2.316(3) . ? 
Ag1 N1 2.374(2) . ? 
N1 C1 1.330(4) . ? 
N1 C5 1.352(3) . ? 
C1 C2 1.410(4) . ? 
C1 C21 1.494(4) . ? 
C2 C3 1.367(5) . ? 
C3 C4 1.415(5) . ? 
C4 C5 1.415(4) . ? 
C4 C6 1.437(4) . ? 
C5 C9 1.441(4) . ? 
C6 C7 1.335(5) . ? 
C7 C8 1.448(4) . ? 
C8 C12 1.405(5) . ? 
C8 C9 1.410(4) . ? 
C9 N2 1.372(3) . ? 
N2 C10 1.326(4) . ? 
C10 C11 1.413(4) . ? 
C10 C13 1.499(4) . ? 
C11 C12 1.371(5) . ? 
C13 C18 1.388(5) . ? 
C13 C14 1.410(5) . ? 
C14 O1 1.356(5) . ? 
C14 C15 1.407(5) . ? 
C15 C16 1.366(7) . ? 
C16 C17 1.386(6) . ? 
C17 C18 1.402(4) . ? 
C18 O2 1.382(4) . ? 
O1 C19 1.435(5) . ? 
O2 C20 1.436(5) . ? 
C21 C22 1.392(5) . ? 
C21 C26 1.406(5) . ? 
C22 O3 1.380(5) . ? 
C22 C23 1.391(5) . ? 
C23 C24 1.393(7) . ? 
C24 C25 1.364(7) . ? 
C25 C26 1.395(5) . ? 
C26 O4 1.359(4) . ? 
O3 C27 1.429(5) . ? 
O4 C28 1.434(4) . ? 
C29 C30 1.379(6) . ? 
C29 C34 1.393(6) . ? 
C30 C31 1.369(8) . ? 
C31 C32 1.381(9) . ? 
C32 C33 1.400(6) . ? 
C33 C34 1.402(6) . ? 
C34 C35 1.434(5) . ? 
C35 C36 1.199(5) . ? 
C36 C37 1.435(4) . ? 
C37 C38 1.379(5) . ? 
C37 C41 1.428(5) . ? 
C38 C39 1.392(5) . ? 
C39 N3 1.337(5) . ? 
N3 C40 1.348(4) . ? 
C40 C41 1.416(4) . ? 
C40 C45 1.451(5) . ? 
C41 C42 1.428(5) . ? 
C42 C43 1.350(5) . ? 
C43 C44 1.441(4) . ? 
C44 C45 1.417(4) . ? 
C44 C48 1.424(5) . ? 
C45 N4 1.355(4) . ? 
N4 C46 1.331(5) . ? 
C46 C47 1.391(5) . ? 
C47 C48 1.385(4) . ? 
C48 C49 1.428(5) . ? 
C49 C50 1.197(5) . ? 
C50 C51 1.429(5) . ? 
C51 C52 1.401(5) . ? 
C51 C56 1.402(5) . ? 
C52 C53 1.370(6) . ? 
C53 C54 1.390(7) . ? 
C54 C55 1.379(7) . ? 
C55 C56 1.374(6) . ? 
B1 F3 1.337(7) . ? 
B1 F1 1.360(8) . ? 
B1 F2 1.359(6) . ? 
B1 F4 1.391(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 N4 152.95(9) . . ? 
N2 Ag1 N3 129.08(9) . . ? 
N4 Ag1 N3 72.40(9) . . ? 
N2 Ag1 N1 72.57(8) . . ? 
N4 Ag1 N1 109.68(9) . . ? 
N3 Ag1 N1 126.73(9) . . ? 
C1 N1 C5 119.3(2) . . ? 
C1 N1 Ag1 126.9(2) . . ? 
C5 N1 Ag1 113.8(2) . . ? 
N1 C1 C2 121.9(3) . . ? 
N1 C1 C21 116.4(2) . . ? 
C2 C1 C21 121.6(3) . . ? 
C3 C2 C1 119.6(3) . . ? 
C2 C3 C4 119.3(3) . . ? 
C3 C4 C5 117.4(3) . . ? 
C3 C4 C6 123.1(3) . . ? 
C5 C4 C6 119.6(3) . . ? 
N1 C5 C4 122.2(3) . . ? 
N1 C5 C9 118.1(2) . . ? 
C4 C5 C9 119.6(2) . . ? 
C7 C6 C4 120.7(3) . . ? 
C6 C7 C8 121.6(3) . . ? 
C12 C8 C9 117.6(3) . . ? 
C12 C8 C7 123.2(3) . . ? 
C9 C8 C7 119.2(3) . . ? 
N2 C9 C8 121.8(3) . . ? 
N2 C9 C5 119.0(2) . . ? 
C8 C9 C5 119.1(2) . . ? 
C10 N2 C9 119.1(2) . . ? 
C10 N2 Ag1 124.0(2) . . ? 
C9 N2 Ag1 116.2(2) . . ? 
N2 C10 C11 122.2(3) . . ? 
N2 C10 C13 117.5(2) . . ? 
C11 C10 C13 120.1(3) . . ? 
C12 C11 C10 119.0(3) . . ? 
C11 C12 C8 120.1(3) . . ? 
C18 C13 C14 119.3(3) . . ? 
C18 C13 C10 123.2(3) . . ? 
C14 C13 C10 117.4(3) . . ? 
O1 C14 C15 125.0(3) . . ? 
O1 C14 C13 115.3(3) . . ? 
C15 C14 C13 119.7(4) . . ? 
C16 C15 C14 119.4(4) . . ? 
C15 C16 C17 122.2(3) . . ? 
C16 C17 C18 118.7(4) . . ? 
O2 C18 C13 116.3(3) . . ? 
O2 C18 C17 123.0(4) . . ? 
C13 C18 C17 120.7(3) . . ? 
C14 O1 C19 117.6(3) . . ? 
C18 O2 C20 117.9(3) . . ? 
C22 C21 C26 119.1(3) . . ? 
C22 C21 C1 122.2(3) . . ? 
C26 C21 C1 118.7(3) . . ? 
O3 C22 C23 124.0(4) . . ? 
O3 C22 C21 115.3(3) . . ? 
C23 C22 C21 120.7(3) . . ? 
C22 C23 C24 118.4(4) . . ? 
C25 C24 C23 122.5(3) . . ? 
C24 C25 C26 118.8(4) . . ? 
O4 C26 C25 124.4(3) . . ? 
O4 C26 C21 115.2(3) . . ? 
C25 C26 C21 120.4(4) . . ? 
C22 O3 C27 117.3(3) . . ? 
C26 O4 C28 117.5(3) . . ? 
C30 C29 C34 121.4(4) . . ? 
C31 C30 C29 119.7(5) . . ? 
C30 C31 C32 120.7(4) . . ? 
C31 C32 C33 120.2(4) . . ? 
C34 C33 C32 119.3(4) . . ? 
C29 C34 C33 118.7(3) . . ? 
C29 C34 C35 120.3(3) . . ? 
C33 C34 C35 121.0(4) . . ? 
C36 C35 C34 176.8(4) . . ? 
C35 C36 C37 175.7(4) . . ? 
C38 C37 C41 118.2(3) . . ? 
C38 C37 C36 121.1(3) . . ? 
C41 C37 C36 120.7(3) . . ? 
C37 C38 C39 119.9(3) . . ? 
N3 C39 C38 123.2(3) . . ? 
C39 N3 C40 118.2(3) . . ? 
C39 N3 Ag1 126.1(2) . . ? 
C40 N3 Ag1 115.3(2) . . ? 
N3 C40 C41 122.7(3) . . ? 
N3 C40 C45 117.9(3) . . ? 
C41 C40 C45 119.3(3) . . ? 
C40 C41 C37 117.7(3) . . ? 
C40 C41 C42 119.7(3) . . ? 
C37 C41 C42 122.6(3) . . ? 
C43 C42 C41 121.2(3) . . ? 
C42 C43 C44 121.1(3) . . ? 
C45 C44 C48 118.0(3) . . ? 
C45 C44 C43 119.4(3) . . ? 
C48 C44 C43 122.6(3) . . ? 
N4 C45 C44 122.1(3) . . ? 
N4 C45 C40 118.7(3) . . ? 
C44 C45 C40 119.2(3) . . ? 
C46 N4 C45 118.2(3) . . ? 
C46 N4 Ag1 126.6(2) . . ? 
C45 N4 Ag1 114.7(2) . . ? 
N4 C46 C47 124.3(3) . . ? 
C48 C47 C46 118.7(3) . . ? 
C47 C48 C44 118.7(3) . . ? 
C47 C48 C49 120.8(3) . . ? 
C44 C48 C49 120.5(3) . . ? 
C50 C49 C48 176.2(4) . . ? 
C49 C50 C51 177.0(4) . . ? 
C52 C51 C56 119.2(3) . . ? 
C52 C51 C50 119.6(3) . . ? 
C56 C51 C50 121.2(3) . . ? 
C53 C52 C51 119.8(4) . . ? 
C52 C53 C54 120.9(4) . . ? 
C55 C54 C53 119.4(4) . . ? 
C56 C55 C54 120.8(4) . . ? 
C55 C56 C51 119.9(4) . . ? 
F3 B1 F1 112.9(5) . . ? 
F3 B1 F2 109.0(5) . . ? 
F1 B1 F2 113.0(5) . . ? 
F3 B1 F4 105.4(7) . . ? 
F1 B1 F4 104.4(5) . . ? 
F2 B1 F4 111.9(5) . . ? 
 
_refine_diff_density_max    0.643 
_refine_diff_density_min   -0.580 
_refine_diff_density_rms    0.054