Information card for entry 4070635

Structure parameters

• Common name: SiB2pin2
• Formula: C48 H94 B2 O4 Si7
• Calculated formula: C48 H94 B2 O4 Si7
• SMILES: [Si](B1OC(C(O1)(C)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: 12.189 ± 0.004 Å
• b: 13.204 ± 0.005 Å
• c: 19.744 ± 0.007 Å
• α: 79.858 ± 0.014°
• β: 72.051 ± 0.013°
• γ: 78.938 ± 0.016°
• Cell volume: 2943.5 ± 1.8 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: 0.0709
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No