Information card for entry 2214214

Structure parameters

• Chemical name: (2-Amino-3,5-dimethylbenzenesulfonato-κN)bis(3-methylisoquinoline- κN)silver(I)
• Formula: C28 H28 Ag N3 O3 S
• Calculated formula: C28 H28 Ag N3 O3 S
• SMILES: [Ag]([n]1c(C)cc2c(c1)cccc2)([n]1c(C)cc2ccccc2c1)[NH2]c1c(cc(cc1C)C)S(=O)(=O)[O-]
• Title of publication: (2-Amino-3,5-dimethylbenzenesulfonato-κ<i>N</i>)bis(3-methylisoquinoline-κ<i>N</i>)silver(I)
• Authors of publication: Li, Yu-Jie; Shangguan, Shao-Ping; Dong, Xian-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1806 - m1806
• a: 11.91 ± 0.002 Å
• b: 11.199 ± 0.002 Å
• c: 19.507 ± 0.004 Å
• α: 90°
• β: 92.05 ± 0.03°
• γ: 90°
• Cell volume: 2600.2 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No