Information card for entry 2012925

Structure parameters

• Chemical name: Chlorotris(2,4,6-trimethylphenyl)tin(IV)
• Formula: C27 H33 Cl Sn
• Calculated formula: C27 H33 Cl Sn
• SMILES: [Sn](Cl)(c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Chlorotris(2,4,6-trimethylphenyl)tin(IV) and its ethanol hemisolvate
• Authors of publication: Geller, Jordan; Wharf, Ivor; Bélanger-Gariépy, Francine; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: m466 - m468
• a: 8.2337 ± 0.0001 Å
• b: 30.7435 ± 0.0003 Å
• c: 30.3142 ± 0.0002 Å
• α: 90°
• β: 93.27 ± 0.001°
• γ: 90°
• Cell volume: 7661.02 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.08
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections: 0.939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes