Information card for entry 7007323

Structure parameters

• Formula: C78 H16 Cl2 Cr
• Calculated formula: C77.4 H16 Cl2 Cr
• Title of publication: Structural aspects of two-stage dimerization in an ionic C60 complex with bis(benzene)chromium: Cr(C6H6)2.C60.C6H4Cl2.
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Y.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 30
• Pages of publication: 3716 - 3720
• a: 15.604 ± 0.004 Å
• b: 15.313 ± 0.004 Å
• c: 19.461 ± 0.005 Å
• α: 90°
• β: 112.225 ± 0.008°
• γ: 90°
• Cell volume: 4304.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.0622
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No