Information card for entry 4120313

Structure parameters

• Formula: C29 H44 N2 P2 Si
• Calculated formula: C29 H44 N2 P2 Si
• SMILES: [Si]1(P)(P)N(c2c(C(C)C)cccc2C(C)C)C(=C)C=C(N1c1c(C(C)C)cccc1C(C)C)C
• Title of publication: A Fragile Zwitterionic Phosphasilene as a Transfer Agent of the Elusive Parent Phosphinidene (:PH)
• Authors of publication: Kerstin Hansen; Tibor Szilvási; Burgert Blom; Shigeyoshi Inoue; Jan Epping; Matthias Driess
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11795 - 11798
• a: 12.7037 ± 0.0005 Å
• b: 19.5075 ± 0.0006 Å
• c: 13.6703 ± 0.0006 Å
• α: 90°
• β: 117.333 ± 0.005°
• γ: 90°
• Cell volume: 3009.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No