Information card for entry 4079774

Structure parameters

• Formula: C39 H52 N P Si2
• Calculated formula: C39 H52 N P Si2
• SMILES: P(=[SiH]N([Si](C)(C)C)c1c(cccc1C(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: 21.048 ± 0.004 Å
• b: 11.345 ± 0.002 Å
• c: 16.46 ± 0.003 Å
• α: 90°
• β: 108.619 ± 0.002°
• γ: 90°
• Cell volume: 3724.8 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No