Information card for entry 4337719

Structure parameters

• Formula: C76 H104 Cl4 Hg2 N12 O P12
• Calculated formula: C76.08 H104.16 Cl4 Hg2 N12 O1.02 P12
• 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: 11.9905 ± 0.0005 Å
• b: 11.9905 ± 0.0005 Å
• c: 33.8096 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4209.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No