Information card for entry 2010667

Structure parameters

• Chemical name: iso-Propylxanthatotriphenyltin
• Formula: C22 H22 O S2 Sn
• Calculated formula: C22 H22 O S2 Sn
• SMILES: [Sn]1(SC(=S)[O]1C(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A pseudosymmetric triclinic modification of triphenyltin isopropylxanthate
• Authors of publication: Ng, Seik Weng; Rae, A. David
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: e47 - e48
• a: 10.3136 ± 0.0003 Å
• b: 12.124 ± 0.001 Å
• c: 27.139 ± 0.003 Å
• α: 100.346 ± 0.009°
• β: 93.422 ± 0.007°
• γ: 97.605 ± 0.007°
• Cell volume: 3296.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No