Information card for entry 4306897

Structure parameters

• Formula: C421.6 H136 Cl12 Mn N16.8
• Calculated formula: C421.6 H136 Cl12 Mn N16.8
• Title of publication: Formation of Antiferromagnetically Coupled C60.- and Diamagnetic (C70-)2 Dimers in Ionic Complexes of Fullerenes with (MDABCO+)2.MIITPP (M = Zn, Co, Mn, and Fe) Assemblies
• Authors of publication: Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Gunzi Saito; Rimma N. Lyubovskaya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2261 - 2271
• a: 19.117 ± 0.001 Å
• b: 19.566 ± 0.001 Å
• c: 20.731 ± 0.001 Å
• α: 67.606 ± 0.003°
• β: 81.629 ± 0.003°
• γ: 63.61 ± 0.003°
• Cell volume: 6419.7 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No