Information card for entry 7201511

Structure parameters

• Common name: 2(C60-)*(ZnOEP2.BPy)*2(TDAE+)*(C6H4Cl2)0.25*(C6H6)0.75
• Formula: C228 H149.5 Cl0.5 N18 Zn2
• Calculated formula: C228 H149.504 Cl0.496 N18 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: 14.8555 ± 0.0004 Å
• b: 21.215 ± 0.0007 Å
• c: 24.2022 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7627.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No