Information card for entry 7031548

Structure parameters

• Formula: C146 H128 Br2 Cl2 In N11
• Calculated formula: C145.94 H128 Br2 Cl2 In N11
• Title of publication: Design, crystal structures and magnetic properties of anionic salts containing fullerene C60 and indium(iii) bromide phthalocyanine radical anions.
• Authors of publication: Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13061
• a: 16.275 ± 0.001 Å
• b: 17.518 ± 0.001 Å
• c: 40.243 ± 0.002 Å
• α: 90°
• β: 90.874 ± 0.001°
• γ: 90°
• Cell volume: 11472.2 ± 1.1 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No