Information card for entry 4079773

Structure parameters

• Formula: C50 H70 N3 P Si2
• Calculated formula: C50 H70 N3 P Si2
• SMILES: P(=[SiH](N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: 2-Hydro-2-aminophosphasilene with N‒Si‒P π Conjugation
• Authors of publication: Cui, Haiyan; Zhang, Jianying; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 1
• a: 10.149 ± 0.003 Å
• b: 40.372 ± 0.012 Å
• c: 12.504 ± 0.004 Å
• α: 90°
• β: 111.751 ± 0.003°
• γ: 90°
• Cell volume: 4759 ± 3 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: 0.0463
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No