Information card for entry 4121725

Structure parameters

• Chemical name: (t-Bu2MeSi)2As=P(2,4,6-t-Bu3-C6H2)
• Formula: C36 H71 As Si3
• Calculated formula: C36 H71 As Si3
• SMILES: [As](=[Si]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Stibasilene sb═si and its lighter homologues: a comparative study.
• Authors of publication: Lee, Vladimir Ya; Aoki, Shinji; Kawai, Manami; Meguro, Takahiko; Sekiguchi, Akira
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 17
• Pages of publication: 6243 - 6246
• a: 11.861 ± 0.0006 Å
• b: 17.618 ± 0.0008 Å
• c: 19.368 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4047.3 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No