Information card for entry 2005028

Structure parameters

• Chemical name: Di-iso-propylammonium triphenylstannylthiolyacetate
• Formula: C26 H33 N O2 S Sn
• Calculated formula: C26 H33 N O2 S Sn
• SMILES: [NH2+](C(C)C)C(C)C.[O-]C(=O)CS[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Diisopropylammonium (Mercaptoacetato-<i>S</i>,<i>O</i>)triphenylstannate
• Authors of publication: Ng, S. W.; Kumar Das, V. G.; Yap, G.; Rheingold, A. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1369 - 1371
• a: 9.482 ± 0.002 Å
• b: 17.146 ± 0.003 Å
• c: 16.931 ± 0.004 Å
• α: 90°
• β: 98.72 ± 0.02°
• γ: 90°
• Cell volume: 2720.8 ± 1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.055
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.0745
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No