Information card for entry 7114356

Structure parameters

• Formula: C2 H12 B10 Sn
• Calculated formula: C2 H12 B10 Sn
• SMILES: [Sn]12345[CH]67[BH]891[BH]1%10%117[BH]726[BH]264[BH]417[BH]17%11[BH]%119%10[CH]938[BH]352[BH]1%119[BH]6473
• 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: 15.315 ± 0.004 Å
• b: 10.023 ± 0.004 Å
• c: 9.917 ± 0.002 Å
• α: 90°
• β: 108.593 ± 0.018°
• γ: 90°
• Cell volume: 1442.8 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No