Information card for entry 4344760

Structure parameters

• Formula: C38 H56 N3 P Si2
• Calculated formula: C38 H56 N3 P Si2
• SMILES: P([Si](N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Controlled Oxidation of an NHC-Stabilized Phosphinoaminosilylene with Dioxygen.
• Authors of publication: Cui, Haiyan; Zhang, Jianying; Tao, Yunwen; Cui, Chunming
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 46
• a: 12.415 ± 0.002 Å
• b: 20.76 ± 0.004 Å
• c: 14.192 ± 0.002 Å
• α: 90°
• β: 93.289 ± 0.003°
• γ: 90°
• Cell volume: 3651.8 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No