Information card for entry 4070636

Structure parameters

• Common name: BSiTMS
• Formula: C45 H91 B O2 Si8
• Calculated formula: C45 H91 B O2 Si8
• SMILES: [Si]([Si](C)(C)C)(B1OC(C(O1)(C)C)(C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis of Alkali Metal Salts of Borylsilyl Anions Utilizing Highly Crowded Silylboranes and Their Properties#
• Authors of publication: Kajiwara, Takashi; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 880
• a: 13.1 ± 0.007 Å
• b: 20.193 ± 0.01 Å
• c: 24.014 ± 0.011 Å
• α: 65.154 ± 0.012°
• β: 78.169 ± 0.012°
• γ: 88.869 ± 0.018°
• Cell volume: 5626 ± 5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No