Information card for entry 7201510

Structure parameters

• Common name: C60*(ZnOEP2.BPy)0.5*CHCl3
• Formula: C204 H98 Cl6 N10 Zn2
• Calculated formula: C204 H98 Cl6 N10 Zn2
• Title of publication: Neutral and ionic complexes of C60 with (ZnOEP)2·BPy coordination dimers
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Slovokhotov, Yury L.; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 48
• a: 13.847 ± 0.009 Å
• b: 14.011 ± 0.011 Å
• c: 19.795 ± 0.016 Å
• α: 78.5 ± 0.03°
• β: 76.35 ± 0.03°
• γ: 63.27 ± 0.02°
• Cell volume: 3314 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1366
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No