Information card for entry 4087565

Structure parameters

• Formula: C37.5 H80 K N2 O6 P Si4
• Calculated formula: C37.5 H80 K N2 O6 P Si4
• SMILES: [P-]1C(CCC1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9
• Title of publication: Redox Reactions of a Stable Dialkylphosphinyl Radical
• Authors of publication: Hirakawa, Fumiya; Ichikawa, Hitomi; Ishida, Shintaro; Iwamoto, Takeaki
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2714
• a: 10.8771 ± 0.0013 Å
• b: 16.845 ± 0.002 Å
• c: 26.51 ± 0.003 Å
• α: 90.857 ± 0.002°
• β: 94.563 ± 0.001°
• γ: 94.125 ± 0.001°
• Cell volume: 4828.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No