Information card for entry 4322852

Structure parameters

• Common name: silver(I) p-toluenesulfonate: 3-aminobenzoic acid adduct
• Chemical name: Silver(I) p-toluenesulfonate: 3-aminobenzoic acid (1:2)
• Formula: C21 H21 Ag N2 O7 S
• Calculated formula: C21 H21 Ag N2 O7 S
• SMILES: [Ag]1([NH2]c2cc(C(=O)O)ccc2)([NH2]c2cc(C(=O)O)ccc2)[O](S(=O)(=O)c2ccc(C)cc2)[Ag]([O]1S(=O)(=O)c1ccc(C)cc1)([NH2]c1cc(C(=O)O)ccc1)[NH2]c1cc(C(=O)O)ccc1
• Title of publication: Nitrogen Base Adducts with Silver(I) p-Toluenesulfonate: Syntheses and Single Crystal X-ray Characterizations of the Adducts with Pyridine (1:1), 2-Aminopyridine (1:2), 2-Aminopyrimidine (1:1), 4,6-Dimethyl-2-aminopyrimidine (2:3), and 3-Aminobenzoic Acid (1:2) and the Crystal Structure of the Parent Silver(I) p-Toluenesulfonate
• Authors of publication: Graham Smith; Brett A. Cloutt; Daniel E. Lynch; Karl A. Byriel; Colin H. L. Kennard
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3236 - 3242
• a: 8.006 ± 0.002 Å
• b: 31.675 ± 0.008 Å
• c: 8.803 ± 0.002 Å
• α: 90°
• β: 104.413 ± 0.009°
• γ: 90°
• Cell volume: 2162.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for all reflections: 0.1472
• Weighted residual factors for significantly intense reflections: 0.0747
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No