Information card for entry 4130499

Structure parameters

• Formula: C76 H108 K O8 P2
• Calculated formula: C76 H108 K O8 P2
• Title of publication: Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.
• Authors of publication: Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 21
• Pages of publication: 6735 - 6738
• a: 13.392 ± 0.003 Å
• b: 17.887 ± 0.004 Å
• c: 15.88 ± 0.003 Å
• α: 90°
• β: 107.74 ± 0.03°
• γ: 90°
• Cell volume: 3623.1 ± 1.5 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: 0.2061
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No