Information card for entry 7007324

Structure parameters

• Formula: C78 H16 Cl2 Cr
• Calculated formula: C78 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: 15.601 ± 0.0013 Å
• b: 14.6619 ± 0.0012 Å
• c: 19.7463 ± 0.0016 Å
• α: 90.973 ± 0.003°
• β: 112.455 ± 0.002°
• γ: 86.799 ± 0.003°
• Cell volume: 4167.8 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No