Information card for entry 2216345

Structure parameters

• Chemical name: (2-Amino-4,5-dimethylbenzenesulfonato-κN)aquabis(triphenylphosphine- κP)silver(I)
• Formula: C44 H42 Ag N O4 P2 S
• Calculated formula: C44 H42 Ag N O4 P2 S
• SMILES: [Ag]([NH2]c1c(cc(c(c1)C)C)S(=O)(=O)[O-])([OH2])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (2-Amino-4,5-dimethylbenzenesulfonato-κ<i>N</i>)aquabis(triphenylphosphine-κ<i>P</i>)silver(I)
• Authors of publication: Dong, Xian-Wu; Wu, Fa-Yuan; Li, Yu-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2885 - m2885
• a: 24.872 ± 0.005 Å
• b: 14.634 ± 0.003 Å
• c: 11.01 ± 0.002 Å
• α: 90°
• β: 94.7 ± 0.03°
• γ: 90°
• Cell volume: 3993.9 ± 1.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes