Information card for entry 4128138

Structure parameters

• Formula: C14 H30 I P Si2
• Calculated formula: C14 H30 I P Si2
• SMILES: [I-].[P+]1(C(=C(C(=C1[Si](C)(C)C)C)C)[Si](C)(C)C)(C)C
• Title of publication: Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.
• Authors of publication: Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 17
• Pages of publication: 6843 - 6847
• a: 14.5868 ± 0.0003 Å
• b: 15.2506 ± 0.0003 Å
• c: 19.9075 ± 0.0005 Å
• α: 90°
• β: 104.964 ± 0.002°
• γ: 90°
• Cell volume: 4278.39 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No