Information card for entry 4105717

Structure parameters

• Formula: C21 H41 N2 P Si3
• Calculated formula: C21 H41 N2 P Si3
• SMILES: [Si]1(=P[Si](C)(C)C)([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)[Si](C)(C)C
• Title of publication: An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene
• Authors of publication: Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2868 - 2871
• a: 14.02 ± 0.002 Å
• b: 11.5941 ± 0.0012 Å
• c: 17.583 ± 0.003 Å
• α: 90°
• β: 108.598 ± 0.019°
• γ: 90°
• Cell volume: 2708.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.2631
• Weighted residual factors for all reflections included in the refinement: 0.2751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.446
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No