Information card for entry 2013565

Structure parameters

• Common name: dichloroneophylphenylstannane
• Chemical name: Dichloro(2-methyl-2-phenylpropyl)phenylstannane
• Formula: C16 H18 Cl2 Sn
• Calculated formula: C16 H18 Cl2 Sn
• SMILES: [Sn](Cl)(Cl)(CC(C)(C)c1ccccc1)c1ccccc1
• Title of publication: Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular π‒π interaction at 120K
• Authors of publication: Bomfim, Joäo A. S.; Filgueiras, Carlos A. L.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m526 - m529
• a: 9.1673 ± 0.0003 Å
• b: 9.0698 ± 0.0002 Å
• c: 9.8939 ± 0.0003 Å
• α: 90°
• β: 93.8823 ± 0.0017°
• γ: 90°
• Cell volume: 820.75 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes