Information card for entry 7024908

Structure parameters

• Formula: C5 H16 B10 Sn
• Calculated formula: C5 H16 B10 Sn
• SMILES: [Sn]12345[C]678[C]9%101([BH]1%11%127[BH]726[BH]264[BH]417[BH]17%12[BH]%12%10%11[BH]%1039[BH]352[BH]1%12%10[BH]6473)CCC8
• Title of publication: Synthetic, structural and computational studies on adducts of the 4,1,2-SnC2B10 supraicosahedral stannacarborane.
• Authors of publication: Abram, Peter D.; McKay, David; Ellis, David; Macgregor, Stuart A.; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2412 - 2422
• a: 11.52 ± 0.003 Å
• b: 7.4934 ± 0.0017 Å
• c: 14.04 ± 0.003 Å
• α: 90°
• β: 92.078 ± 0.01°
• γ: 90°
• Cell volume: 1211.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0276
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No