Information card for entry 4320952

Structure parameters

• Common name: 99247
• Chemical name: 1,10-Bis(TMS-acetylene)-1,10-Dicarba-closo-decaborane
• Formula: C14 H26 B8 Si2
• Calculated formula: C12 H26 B8 Si2
• SMILES: [Si](C#C[C]123[BH]456[BH]789[BH]%1014[BH]147[BH]72%10[BH]2%101[BH]357[BH]682[C]94%10C#C[Si](C)(C)C)(C)(C)C
• Title of publication: 10-Vertexcloso-Boranes as Potential π Linkers for Electronic Materials
• Authors of publication: Serhii Pakhomov; Piotr Kaszynski; Victor G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2243 - 2245
• a: 9.5189 ± 0.0004 Å
• b: 10.6148 ± 0.0005 Å
• c: 12.0415 ± 0.0005 Å
• α: 68.071 ± 0.001°
• β: 72.51 ± 0.001°
• γ: 72.378 ± 0.001°
• Cell volume: 1051.23 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections: 0.1343
• Weighted residual factors for significantly intense reflections: 0.1244
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No