Information card for entry 4120314

Structure parameters

• Formula: C29 H42 Cl N2 P Si
• Calculated formula: C29 H42 Cl N2 P Si
• SMILES: [Si]1(Cl)(N(c2c(C(C)C)cccc2C(C)C)C(C=C(N1c1c(C(C)C)cccc1C(C)C)C)=C)P
• 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: 12.5294 ± 0.0004 Å
• b: 19.3366 ± 0.0006 Å
• c: 13.5552 ± 0.0005 Å
• α: 90°
• β: 117.052 ± 0.004°
• γ: 90°
• Cell volume: 2924.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No