Information card for entry 4121691

Structure parameters

• Formula: C40 H56 Al F36 N4 O4 P4
• Calculated formula: C40 H56 Al F36 N4 O4 P4
• 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: 11.342 ± 0.002 Å
• b: 15.121 ± 0.003 Å
• c: 19.848 ± 0.004 Å
• α: 108.347 ± 0.003°
• β: 94.619 ± 0.003°
• γ: 104.58 ± 0.003°
• Cell volume: 3079.2 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1063
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No