Information card for entry 4333177

Structure parameters

• Formula: C238 H90 Cl4 N10 Zn2
• Calculated formula: C238 H90 Cl4 N10 Zn2
• Title of publication: Ionic and neutral C60 complexes with coordination assemblies of metal tetraphenylporphyrins, MIITPP2.DMP (M=Mn, Zn). Coexistence of (C60-)2 dimers bonded by one and two single bonds in the same compound.
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7601 - 7609
• a: 14.042 ± 0.001 Å
• b: 30.708 ± 0.002 Å
• c: 18.186 ± 0.001 Å
• α: 90°
• β: 105.794 ± 0.002°
• γ: 90°
• Cell volume: 7545.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0949
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No