Information card for entry 7114357

Structure parameters

• Formula: C4 H16 B10 Sn
• Calculated formula: C4 H16 B10 Sn
• SMILES: [Sn]12345[C]67([BH]891[BH]1%10%117[BH]726[BH]264[BH]417[BH]17%11[BH]%119%10[C]938([BH]352[BH]1%119[BH]6473)C)C
• Title of publication: The first supraicosahedral p-block metallacarboranes
• Authors of publication: Wilson, Neil M. M.; Ellis, David; Boyd, Alan S. F.; Giles, Barry T.; Macgregor, Stuart A.; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 464
• a: 7.0815 ± 0.0005 Å
• b: 13.0311 ± 0.0009 Å
• c: 12.5779 ± 0.0012 Å
• α: 90°
• β: 94.228 ± 0.007°
• γ: 90°
• Cell volume: 1157.53 ± 0.16 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No