Information card for entry 4315313

Structure parameters

• Formula: C204 H80 Cl4 Mn N10
• Calculated formula: C204 H80 Cl4 Mn N10
• Title of publication: Magnetic and Structural Transitions at Dimerization of C60. -in Ionic Fullerene Complexes with Metalloporphyrins: {(TMP+)2.MIITPP}.(C60-)2.(C6H4Cl2)2.(C6H5CN)2 (M = Zn and Mn)
• Authors of publication: Dmitri V. Konarev; Salavat S. Khasanov; Guzeliya R. Mukhamadieva; Leokadia V. Zorina; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3881 - 3887
• a: 28.5037 ± 0.0013 Å
• b: 15.3623 ± 0.0006 Å
• c: 30.1121 ± 0.0013 Å
• α: 90.173 ± 0.004°
• β: 109.828 ± 0.004°
• γ: 89.514 ± 0.005°
• Cell volume: 12403.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: C -1
• Hall space group symbol: -P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No