Information card for entry 1563885

Structure parameters

• Formula: C119 H57 Cl Co O P4
• Calculated formula: C119 H57 Cl Co O P4
• Title of publication: Distortion and electronic structure of ordered C60•− radical anions in the salt with {CoI(dppe)2CO}+ cations (dppe: 1,2-bis(diphenylphosphino)ethane)
• Authors of publication: Konarev, Dmitri V.; Kuzmin, Alexey V.; Andronov, Mikhail G.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 504 - 509
• a: 11.0692 ± 0.0003 Å
• b: 18.1814 ± 0.0005 Å
• c: 19.1296 ± 0.0006 Å
• α: 85.968 ± 0.003°
• β: 83.894 ± 0.003°
• γ: 82.874 ± 0.003°
• Cell volume: 3792.12 ± 0.19 ų
• Cell temperature: 121 ± 6 K
• Ambient diffraction temperature: 121 ± 6 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No