Information card for entry 2215938

Structure parameters

• Chemical name: (2-Amino-3,5-dimethylbenzenesulfonato-κN)bis(triphenylphosphine-κP)silver(I) acetonitrile solvate
• Formula: C46 H43 Ag N2 O3 P2 S
• Calculated formula: C46 H43 Ag N2 O3 P2 S
• SMILES: [Ag]([NH2]c1c(cc(cc1C)C)S(=O)(=O)[O-])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C
• Title of publication: (2-Amino-3,5-dimethylbenzenesulfonato-κ<i>N</i>)bis(triphenylphosphine-κ<i>P</i>)silver(I) acetonitrile solvate
• Authors of publication: Jia-Jun Han; Ning Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2650 - m2650
• a: 13.782 ± 0.003 Å
• b: 12.252 ± 0.003 Å
• c: 25.243 ± 0.005 Å
• α: 90°
• β: 94.32 ± 0.03°
• γ: 90°
• Cell volume: 4250.3 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes