Information card for entry 4069627

Structure parameters

• Chemical name: (t-Bu2MeSi)2Ge=P(2,4,6-t-Bu3-C6H2)
• Formula: C36 H71 Ge P Si2
• Calculated formula: C36 H71 Ge P Si2
• SMILES: [Ge](=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C
• Title of publication: A “Push−Pull” Phosphasilene and Phosphagermene and Their Anion-Radicals
• Authors of publication: Lee, Vladimir Ya.; Kawai, Manami; Sekiguchi, Akira; Ranaivonjatovo, Henri; Escudié, Jean
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4262
• a: 11.774 ± 0.0002 Å
• b: 17.648 ± 0.0005 Å
• c: 19.431 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4037.52 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No