data_c: _publ_contact_author_name ' Michaele J. Hardie' _publ_contact_author_email ' m.j.hardie@leeds.ac.uk ' _publ_contact_author_fax ' 44 - 113 - 343 6565' _publ_requested_journal 'Chemical Communications' _audit_creation_method SHELXL-97 _chemical_name_systematic ; bis(diazabicyclo[2.2.2]octane)silver(I)perrhenate acetonitrile solvate ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C20 H36 Ag N8 O4 Re' _chemical_formula_weight 746.64 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' 'Ag' 'Ag' -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Re' 'Re' -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting cubic _symmetry_space_group_name_H-M Fd-3m loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x+1/4, z+1/4' '-x+1/4, -y+1/4, z' 'y+1/4, -x, z+1/4' 'x+1/4, -z, y+1/4' 'x, -y+1/4, -z+1/4' 'x+1/4, z+1/4, -y' 'z+1/4, y+1/4, -x' '-x+1/4, y, -z+1/4' '-z, y+1/4, x+1/4' 'z, x, y' 'y, z, x' '-y+1/4, -z+1/4, x' 'z, -x+1/4, -y+1/4' '-y+1/4, z, -x+1/4' '-z+1/4, -x+1/4, y' '-z+1/4, x, -y+1/4' 'y, -z+1/4, -x+1/4' 'y+1/4, x+1/4, -z' '-y, -x, -z' '-x, z+1/4, y+1/4' '-x, -z, -y' 'z+1/4, -y, x+1/4' '-z, -y, -x' 'x, y+1/2, z+1/2' '-y, x+3/4, z+3/4' '-x+1/4, -y+3/4, z+1/2' 'y+1/4, -x+1/2, z+3/4' 'x+1/4, -z+1/2, y+3/4' 'x, -y+3/4, -z+3/4' 'x+1/4, z+3/4, -y+1/2' 'z+1/4, y+3/4, -x+1/2' '-x+1/4, y+1/2, -z+3/4' '-z, y+3/4, x+3/4' 'z, x+1/2, y+1/2' 'y, z+1/2, x+1/2' '-y+1/4, -z+3/4, x+1/2' 'z, -x+3/4, -y+3/4' '-y+1/4, z+1/2, -x+3/4' '-z+1/4, -x+3/4, y+1/2' '-z+1/4, x+1/2, -y+3/4' 'y, -z+3/4, -x+3/4' 'y+1/4, x+3/4, -z+1/2' '-y, -x+1/2, -z+1/2' '-x, z+3/4, y+3/4' '-x, -z+1/2, -y+1/2' 'z+1/4, -y+1/2, x+3/4' '-z, -y+1/2, -x+1/2' 'x+1/2, y, z+1/2' '-y+1/2, x+1/4, z+3/4' '-x+3/4, -y+1/4, z+1/2' 'y+3/4, -x, z+3/4' 'x+3/4, -z, y+3/4' 'x+1/2, -y+1/4, -z+3/4' 'x+3/4, z+1/4, -y+1/2' 'z+3/4, y+1/4, -x+1/2' '-x+3/4, y, -z+3/4' '-z+1/2, y+1/4, x+3/4' 'z+1/2, x, y+1/2' 'y+1/2, z, x+1/2' '-y+3/4, -z+1/4, x+1/2' 'z+1/2, -x+1/4, -y+3/4' '-y+3/4, z, -x+3/4' '-z+3/4, -x+1/4, y+1/2' '-z+3/4, x, -y+3/4' 'y+1/2, -z+1/4, -x+3/4' 'y+3/4, x+1/4, -z+1/2' '-y+1/2, -x, -z+1/2' '-x+1/2, z+1/4, y+3/4' '-x+1/2, -z, -y+1/2' 'z+3/4, -y, x+3/4' '-z+1/2, -y, -x+1/2' 'x+1/2, y+1/2, z' '-y+1/2, x+3/4, z+1/4' '-x+3/4, -y+3/4, z' 'y+3/4, -x+1/2, z+1/4' 'x+3/4, -z+1/2, y+1/4' 'x+1/2, -y+3/4, -z+1/4' 'x+3/4, z+3/4, -y' 'z+3/4, y+3/4, -x' '-x+3/4, y+1/2, -z+1/4' '-z+1/2, y+3/4, x+1/4' 'z+1/2, x+1/2, y' 'y+1/2, z+1/2, x' '-y+3/4, -z+3/4, x' 'z+1/2, -x+3/4, -y+1/4' '-y+3/4, z+1/2, -x+1/4' '-z+3/4, -x+3/4, y' '-z+3/4, x+1/2, -y+1/4' 'y+1/2, -z+3/4, -x+1/4' 'y+3/4, x+3/4, -z' '-y+1/2, -x+1/2, -z' '-x+1/2, z+3/4, y+1/4' '-x+1/2, -z+1/2, -y' 'z+3/4, -y+1/2, x+1/4' '-z+1/2, -y+1/2, -x' '-x, -y, -z' 'y, -x-1/4, -z-1/4' 'x-1/4, y-1/4, -z' '-y-1/4, x, -z-1/4' '-x-1/4, z, -y-1/4' '-x, y-1/4, z-1/4' '-x-1/4, -z-1/4, y' '-z-1/4, -y-1/4, x' 'x-1/4, -y, z-1/4' 'z, -y-1/4, -x-1/4' '-z, -x, -y' '-y, -z, -x' 'y-1/4, z-1/4, -x' '-z, x-1/4, y-1/4' 'y-1/4, -z, x-1/4' 'z-1/4, x-1/4, -y' 'z-1/4, -x, y-1/4' '-y, z-1/4, x-1/4' '-y-1/4, -x-1/4, z' 'y, x, z' 'x, -z-1/4, -y-1/4' 'x, z, y' '-z-1/4, y, -x-1/4' 'z, y, x' '-x, -y+1/2, -z+1/2' 'y, -x+1/4, -z+1/4' 'x-1/4, y+1/4, -z+1/2' '-y-1/4, x+1/2, -z+1/4' '-x-1/4, z+1/2, -y+1/4' '-x, y+1/4, z+1/4' '-x-1/4, -z+1/4, y+1/2' '-z-1/4, -y+1/4, x+1/2' 'x-1/4, -y+1/2, z+1/4' 'z, -y+1/4, -x+1/4' '-z, -x+1/2, -y+1/2' '-y, -z+1/2, -x+1/2' 'y-1/4, z+1/4, -x+1/2' '-z, x+1/4, y+1/4' 'y-1/4, -z+1/2, x+1/4' 'z-1/4, x+1/4, -y+1/2' 'z-1/4, -x+1/2, y+1/4' '-y, z+1/4, x+1/4' '-y-1/4, -x+1/4, z+1/2' 'y, x+1/2, z+1/2' 'x, -z+1/4, -y+1/4' 'x, z+1/2, y+1/2' '-z-1/4, y+1/2, -x+1/4' 'z, y+1/2, x+1/2' '-x+1/2, -y, -z+1/2' 'y+1/2, -x-1/4, -z+1/4' 'x+1/4, y-1/4, -z+1/2' '-y+1/4, x, -z+1/4' '-x+1/4, z, -y+1/4' '-x+1/2, y-1/4, z+1/4' '-x+1/4, -z-1/4, y+1/2' '-z+1/4, -y-1/4, x+1/2' 'x+1/4, -y, z+1/4' 'z+1/2, -y-1/4, -x+1/4' '-z+1/2, -x, -y+1/2' '-y+1/2, -z, -x+1/2' 'y+1/4, z-1/4, -x+1/2' '-z+1/2, x-1/4, y+1/4' 'y+1/4, -z, x+1/4' 'z+1/4, x-1/4, -y+1/2' 'z+1/4, -x, y+1/4' '-y+1/2, z-1/4, x+1/4' '-y+1/4, -x-1/4, z+1/2' 'y+1/2, x, z+1/2' 'x+1/2, -z-1/4, -y+1/4' 'x+1/2, z, y+1/2' '-z+1/4, y, -x+1/4' 'z+1/2, y, x+1/2' '-x+1/2, -y+1/2, -z' 'y+1/2, -x+1/4, -z-1/4' 'x+1/4, y+1/4, -z' '-y+1/4, x+1/2, -z-1/4' '-x+1/4, z+1/2, -y-1/4' '-x+1/2, y+1/4, z-1/4' '-x+1/4, -z+1/4, y' '-z+1/4, -y+1/4, x' 'x+1/4, -y+1/2, z-1/4' 'z+1/2, -y+1/4, -x-1/4' '-z+1/2, -x+1/2, -y' '-y+1/2, -z+1/2, -x' 'y+1/4, z+1/4, -x' '-z+1/2, x+1/4, y-1/4' 'y+1/4, -z+1/2, x-1/4' 'z+1/4, x+1/4, -y' 'z+1/4, -x+1/2, y-1/4' '-y+1/2, z+1/4, x-1/4' '-y+1/4, -x+1/4, z' 'y+1/2, x+1/2, z' 'x+1/2, -z+1/4, -y-1/4' 'x+1/2, z+1/2, y' '-z+1/4, y+1/2, -x-1/4' 'z+1/2, y+1/2, x' _cell_length_a 45.6110(10) _cell_length_b 45.6110(10) _cell_length_c 45.6110(10) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 94887(4) _cell_formula_units_Z 136 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description colourless _exptl_crystal_colour cube _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.25 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.777 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 49776 _exptl_absorpt_coefficient_mu 5.074 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.3636 _exptl_absorpt_correction_T_max 0.3636 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(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 ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 90673 _diffrn_reflns_av_R_equivalents 0.0756 _diffrn_reflns_av_sigmaI/netI 0.0256 _diffrn_reflns_limit_h_min -42 _diffrn_reflns_limit_h_max 57 _diffrn_reflns_limit_k_min -57 _diffrn_reflns_limit_k_max 54 _diffrn_reflns_limit_l_min -57 _diffrn_reflns_limit_l_max 36 _diffrn_reflns_theta_min 2.19 _diffrn_reflns_theta_max 26.44 _reflns_number_total 4538 _reflns_number_gt 3555 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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. ReO4 were very disordered and O positions could not be reliably established or refined. These O and solvent positions were excluded from refinement but included in formula and subsequent calculations. Solvations levels were established using thermal analysis. ; _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^)+(0.1374P)^2^+5629.2319P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4538 _refine_ls_number_parameters 152 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0996 _refine_ls_R_factor_gt 0.0782 _refine_ls_wR_factor_ref 0.2615 _refine_ls_wR_factor_gt 0.2352 _refine_ls_goodness_of_fit_ref 1.103 _refine_ls_restrained_S_all 1.103 _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 Re1 Re 0.26044(3) 0.6250 0.1250 0.0523(5) Uani 0.60 4 d SP A 1 Ag1 Ag 0.1250 0.6250 0.1250 0.0217(6) Uani 1 24 d S . . N1 N 0.1548(2) 0.5952(2) 0.0952(2) 0.028(4) Uani 1 6 d S . . C1 C 0.1735(2) 0.6137(3) 0.0765(2) 0.073(7) Uani 1 2 d S . . H1A H 0.1860 0.6264 0.0889 0.088 Uiso 0.50 1 calc PR . . H1B H 0.1611 0.6264 0.0640 0.088 Uiso 0.50 1 calc PR . . Re2 Re 0.26204(13) 0.59946(12) 0.15054(12) 0.0983(18) Uani 0.20 2 d SP B 2 Ag2 Ag 0.217598(19) 0.532402(19) 0.032402(19) 0.0226(4) Uani 1 6 d S . . N2 N 0.1875(2) 0.5625(2) 0.0625(2) 0.027(4) Uani 1 6 d S . . C2 C 0.1935(3) 0.5934(4) 0.0565(3) 0.090(9) Uani 1 2 d S . . H2A H 0.1896 0.5976 0.0356 0.108 Uiso 0.50 1 calc PR . . H2B H 0.2144 0.5976 0.0604 0.108 Uiso 0.50 1 calc PR . . Re3 Re 0.42494(7) 0.55711(4) 0.19289(4) 0.0761(8) Uani 0.50 2 d SP C 1 Ag3 Ag 0.371339(19) 0.567597(13) 0.067597(13) 0.0233(3) Uani 1 2 d S . . N3 N 0.2672(2) 0.54341(16) 0.04341(16) 0.028(2) Uani 1 2 d S . . C3 C 0.2868(3) 0.5256(2) 0.0256(2) 0.052(4) Uani 1 2 d S . . H3A H 0.2830 0.5295 0.0046 0.062 Uiso 0.50 1 calc PR . . H3B H 0.2830 0.5046 0.0295 0.062 Uiso 0.50 1 calc PR . . Re4 Re 0.44251(10) 0.56398(5) 0.18602(5) 0.0853(12) Uani 0.40 2 d SP D 2 N4 N 0.3214(2) 0.55554(17) 0.05554(17) 0.028(2) Uani 1 2 d S . . C4 C 0.3193(3) 0.5331(2) 0.0331(2) 0.055(5) Uani 1 2 d S . . H4A H 0.3294 0.5151 0.0400 0.066 Uiso 0.50 1 calc PR . . H4B H 0.3294 0.5400 0.0151 0.066 Uiso 0.50 1 calc PR . . Re5 Re 0.2500 0.5000 0.2500 0.050(3) Uani 0.12 12 d SP . . N5 N 0.3721(2) 0.60474(16) 0.10474(16) 0.027(2) Uani 1 2 d S . . C5 C 0.3057(3) 0.5817(3) 0.0448(5) 0.090(6) Uani 1 1 d . . . H5A H 0.3152 0.5889 0.0266 0.108 Uiso 1 1 calc R . . H5B H 0.3068 0.5975 0.0596 0.108 Uiso 1 1 calc R . . N6 N 0.39391(17) 0.52385(16) 0.08458(17) 0.0304(16) Uani 1 1 d . . . C6 C 0.2730(3) 0.5742(3) 0.0384(5) 0.090(6) Uani 1 1 d . . . H6A H 0.2602 0.5861 0.0512 0.108 Uiso 1 1 calc R . . H6B H 0.2683 0.5791 0.0178 0.108 Uiso 1 1 calc R . . C7 C 0.3568(3) 0.5947(3) 0.1314(3) 0.063(4) Uani 1 1 d . . . H7A H 0.3666 0.5769 0.1390 0.076 Uiso 1 1 calc R . . H7B H 0.3363 0.5894 0.1265 0.076 Uiso 1 1 calc R . . C8 C 0.4027(3) 0.6136(2) 0.1136(2) 0.040(3) Uani 1 2 d S . . H8A H 0.4134 0.5962 0.1210 0.048 Uiso 0.50 1 calc PR . . H8B H 0.4134 0.6210 0.0962 0.048 Uiso 0.50 1 calc PR . . C9 C 0.3772(3) 0.5146(3) 0.1099(3) 0.076(5) Uani 1 1 d . . . H9A H 0.3565 0.5114 0.1042 0.091 Uiso 1 1 calc R . . H9B H 0.3778 0.5301 0.1250 0.091 Uiso 1 1 calc R . . C10 C 0.3938(4) 0.4995(2) 0.0624(3) 0.064(4) Uani 1 1 d . . . H10A H 0.4051 0.5055 0.0449 0.077 Uiso 1 1 calc R . . H10B H 0.3734 0.4953 0.0562 0.077 Uiso 1 1 calc R . . C11 C 0.4245(3) 0.5280(2) 0.0926(3) 0.057(3) Uani 1 1 d . . . H11A H 0.4260 0.5444 0.1068 0.068 Uiso 1 1 calc R . . H11B H 0.4359 0.5334 0.0749 0.068 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 Re1 0.0220(7) 0.0674(8) 0.0674(8) -0.0397(9) 0.000 0.000 Ag1 0.0217(6) 0.0217(6) 0.0217(6) 0.000 0.000 0.000 N1 0.028(4) 0.028(4) 0.028(4) -0.004(4) 0.004(4) 0.004(4) C1 0.101(11) 0.017(7) 0.101(11) -0.001(4) 0.076(13) 0.001(4) Re2 0.074(3) 0.110(3) 0.110(3) -0.037(4) -0.003(2) 0.003(2) Ag2 0.0226(4) 0.0226(4) 0.0226(4) 0.0005(3) -0.0005(3) -0.0005(3) N2 0.027(4) 0.027(4) 0.027(4) -0.002(4) 0.002(4) 0.002(4) C2 0.121(14) 0.027(8) 0.121(14) 0.000(5) 0.094(16) 0.000(5) Re3 0.148(3) 0.0403(7) 0.0403(7) -0.0057(8) -0.0343(9) 0.0343(9) Ag3 0.0246(5) 0.0226(3) 0.0226(3) 0.0021(3) -0.0002(2) -0.0002(2) N3 0.020(5) 0.032(3) 0.032(3) -0.001(4) -0.002(3) -0.002(3) C3 0.033(8) 0.061(7) 0.061(7) -0.028(8) -0.003(4) -0.003(4) Re4 0.146(3) 0.0551(11) 0.0551(11) -0.0021(12) -0.0339(13) 0.0339(13) N4 0.018(5) 0.033(3) 0.033(3) -0.002(4) -0.001(3) -0.001(3) C4 0.024(7) 0.071(8) 0.071(8) -0.039(9) -0.004(4) -0.004(4) Re5 0.050(3) 0.050(3) 0.050(3) 0.005(3) -0.005(3) 0.005(3) N5 0.026(5) 0.027(3) 0.027(3) 0.000(4) 0.001(3) 0.001(3) C5 0.032(6) 0.029(6) 0.21(2) 0.023(9) -0.040(9) -0.013(5) N6 0.038(4) 0.023(4) 0.030(4) 0.004(3) -0.007(3) 0.008(3) C6 0.036(6) 0.032(6) 0.20(2) 0.017(9) -0.054(9) -0.005(5) C7 0.094(10) 0.049(7) 0.048(7) -0.029(6) 0.036(7) -0.033(7) C8 0.024(7) 0.048(5) 0.048(5) -0.016(7) 0.001(4) 0.001(4) C9 0.087(10) 0.054(8) 0.088(10) 0.041(7) 0.053(8) 0.048(7) C10 0.117(12) 0.032(5) 0.044(6) -0.007(5) -0.042(7) 0.027(7) C11 0.045(6) 0.025(5) 0.101(10) 0.022(6) -0.023(6) -0.008(4) _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 2.357(17) 146_465 ? Ag1 N1 2.357(18) 124_655 ? Ag1 N1 2.358(17) 3_565 ? Ag1 N1 2.358(17) . ? N1 C1 1.472(16) . ? N1 C1 1.472(16) 87 ? N1 C1 1.472(16) 40_554 ? C1 C2 1.59(2) . ? Ag2 N3 2.369(10) . ? Ag2 N3 2.369(10) 40_554 ? Ag2 N3 2.369(10) 87 ? Ag2 N2 2.378(18) . ? N2 C2 1.460(17) . ? N2 C2 1.460(17) 40_554 ? N2 C2 1.460(17) 87 ? Ag3 N6 2.375(7) . ? Ag3 N6 2.375(7) 142_554 ? Ag3 N5 2.396(10) . ? Ag3 N4 2.409(10) . ? N3 C6 1.446(13) . ? N3 C6 1.446(13) 142_554 ? N3 C3 1.455(18) . ? C3 C4 1.56(2) . ? N4 C4 1.451(18) . ? N4 C5 1.475(13) . ? N4 C5 1.475(13) 142_554 ? N5 C7 1.475(12) 142_554 ? N5 C7 1.476(12) . ? N5 C8 1.511(17) . ? C5 C6 1.559(15) . ? N6 C9 1.445(14) . ? N6 C11 1.456(13) . ? N6 C10 1.503(13) . ? C7 C7 1.543(19) 117_566 ? C8 C8 1.47(3) 6_565 ? C9 C9 1.57(2) 72_565 ? C10 C11 1.521(14) 72_565 ? C11 C10 1.521(14) 72_565 ? 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 109.476(2) 146_465 124_655 ? N1 Ag1 N1 109.471(1) 146_465 3_565 ? N1 Ag1 N1 109.470(1) 124_655 3_565 ? N1 Ag1 N1 109.471(1) 146_465 . ? N1 Ag1 N1 109.471(4) 124_655 . ? N1 Ag1 N1 109.469(1) 3_565 . ? C1 N1 C1 109.3(9) . 87 ? C1 N1 C1 109.3(9) . 40_554 ? C1 N1 C1 109.3(9) 87 40_554 ? C1 N1 Ag1 109.7(9) . . ? C1 N1 Ag1 109.7(9) 87 . ? C1 N1 Ag1 109.7(9) 40_554 . ? N1 C1 C2 109.2(13) . . ? N3 Ag2 N3 111.1(2) . 40_554 ? N3 Ag2 N3 111.1(2) . 87 ? N3 Ag2 N3 111.1(2) 40_554 87 ? N3 Ag2 N2 107.8(3) . . ? N3 Ag2 N2 107.8(3) 40_554 . ? N3 Ag2 N2 107.8(3) 87 . ? C2 N2 C2 109.1(9) . 40_554 ? C2 N2 C2 109.1(9) . 87 ? C2 N2 C2 109.1(9) 40_554 87 ? C2 N2 Ag2 109.8(9) . . ? C2 N2 Ag2 109.8(9) 40_554 . ? C2 N2 Ag2 109.8(9) 87 . ? N2 C2 C1 110.3(13) . . ? N6 Ag3 N6 111.1(4) . 142_554 ? N6 Ag3 N5 110.9(2) . . ? N6 Ag3 N5 110.9(2) 142_554 . ? N6 Ag3 N4 107.0(2) . . ? N6 Ag3 N4 107.0(2) 142_554 . ? N5 Ag3 N4 109.6(4) . . ? C6 N3 C6 105.9(18) . 142_554 ? C6 N3 C3 109.9(10) . . ? C6 N3 C3 109.9(10) 142_554 . ? C6 N3 Ag2 110.3(6) . . ? C6 N3 Ag2 110.3(6) 142_554 . ? C3 N3 Ag2 110.5(8) . . ? N3 C3 C4 110.0(12) . . ? C4 N4 C5 107.8(10) . . ? C4 N4 C5 107.8(10) . 142_554 ? C5 N4 C5 107.7(17) . 142_554 ? C4 N4 Ag3 112.4(8) . . ? C5 N4 Ag3 110.5(6) . . ? C5 N4 Ag3 110.5(6) 142_554 . ? N4 C4 C3 111.5(12) . . ? C7 N5 C7 107.0(14) 142_554 . ? C7 N5 C8 107.4(8) 142_554 . ? C7 N5 C8 107.4(8) . . ? C7 N5 Ag3 110.8(6) 142_554 . ? C7 N5 Ag3 110.9(6) . . ? C8 N5 Ag3 113.1(7) . . ? N4 C5 C6 110.4(9) . . ? C9 N6 C11 110.0(11) . . ? C9 N6 C10 108.6(10) . . ? C11 N6 C10 105.6(10) . . ? C9 N6 Ag3 106.2(6) . . ? C11 N6 Ag3 112.8(6) . . ? C10 N6 Ag3 113.6(6) . . ? N3 C6 C5 111.1(9) . . ? N5 C7 C7 111.3(6) . 117_566 ? C8 C8 N5 112.3(6) 6_565 . ? N6 C9 C9 110.5(5) . 72_565 ? N6 C10 C11 110.1(8) . 72_565 ? N6 C11 C10 111.8(8) . 72_565 ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 26.44 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 4.242 _refine_diff_density_min -2.347 _refine_diff_density_rms 0.261 # start Validation Reply Form _vrf_CHEMW03_c_ ; PROBLEM: ALERT: The ratio of given/expected molecular weight as RESPONSE: anion oxygen positions and solvent were not located but included in the formula ; _vrf_PLAT043_c_ ; PROBLEM: Calculated and Reported Mol. Weight Differ by .. 15488.35 Check RESPONSE: as above ; _vrf_PLAT307_c_ ; PROBLEM: Isolated Metal Atom (Unusual !) ................ RESPONSE: ReOR anions were severely disordeed and reliable O positions could not be established ; # end