Information card for entry 4121688

Structure parameters

• Formula: C18 H54 N4 P2 Si6
• Calculated formula: C18 H54 N4 P2 Si6
• SMILES: C[Si](C)(N1P(N(P1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C
• Title of publication: Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.
• Authors of publication: Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 17
• Pages of publication: 6251 - 6254
• a: 9.1591 ± 0.0016 Å
• b: 15.697 ± 0.003 Å
• c: 12.779 ± 0.002 Å
• α: 90°
• β: 109.616 ± 0.003°
• γ: 90°
• Cell volume: 1730.6 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No