Information card for entry 2217129

Structure parameters

• Chemical name: Aqua(3-methylisoquinoline-κN)silver(I) 4-aminobenzenesulfonate
• Formula: C16 H17 Ag N2 O4 S
• Calculated formula: C16 H16 Ag N2 O4 S
• SMILES: [Ag]([n]1c(cc2ccccc2c1)C)O.c1(ccc(cc1)N)S(=O)(=O)[O-]
• Title of publication: Aqua(3-methylisoquinoline-κ<i>N</i>)silver(I) 4-aminobenzenesulfonate
• Authors of publication: Yong-Mei Zhang; Dong-Yan Hou; Tie-Chun Li; Guang Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m224 - m224
• a: 6.779 ± 0.001 Å
• b: 13.997 ± 0.003 Å
• c: 18.076 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1715.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes