Information card for entry 4337717

Structure parameters

• Formula: C12 H16 N2 P2
• Calculated formula: C12 H16 N2 P2
• Title of publication: N,N'-fused bisphosphole: heteroaromatic molecule with two-coordinate and formally divalent phosphorus. Synthesis, electronic structure, and chemical properties.
• Authors of publication: Kornev, Alexander N.; Sushev, Vyacheslav V.; Panova, Yulia S.; Lukoyanova, Olga V.; Ketkov, Sergey Yu; Baranov, Evgenii V.; Fukin, Georgy K.; Lopatin, Mikhail A.; Budnikova, Yulia G.; Abakumov, Gleb A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3243 - 3252
• a: 8.4187 ± 0.0007 Å
• b: 8.5857 ± 0.0008 Å
• c: 8.6384 ± 0.0008 Å
• α: 90°
• β: 92.484 ± 0.002°
• γ: 90°
• Cell volume: 623.8 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.111
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No