Information card for entry 7024910

Structure parameters

• Formula: C17 H24 B10 N2 Sn
• Calculated formula: C17 H24 B10 N2 Sn
• SMILES: [Sn]123456([n]7cccc8ccc9ccc[n]6c9c78)[C]6789[C]%10%111([BH]1%12%137[BH]726[BH]264[BH]417[BH]17%13[BH]%138%11%12[BH]83%10[BH]352[BH]1%138[BH]6473)CCC9
• 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: 8.2556 ± 0.0014 Å
• b: 23.479 ± 0.004 Å
• c: 10.85 ± 0.0015 Å
• α: 90°
• β: 98.566 ± 0.009°
• γ: 90°
• Cell volume: 2079.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0669
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No