Information card for entry 4318194

Structure parameters

• Common name: C60 PyZnTPP Cp2Fe toluene
• Chemical name: C60 fullerene (pyridino)zinc tetraphenylporphyrinate ferrocene clathrate toluene solvate
• Formula: C175 H84 Fe N10 Zn2
• Calculated formula: C175 H84 Fe N10 Zn2
• Title of publication: Synthesis and Structure of Multicomponent Crystals of Fullerenes and Metal Tetraarylporphyrins
• Authors of publication: Dmitri V. Konarev; Andrey Yu. Kovalevsky; Xue Li; Ivan S. Neretin; Alexey L. Litvinov; Natal'ya V. Drichko; Yury L. Slovokhotov; Philip Coppens; Rimma N. Lyubovskaya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3638 - 3646
• a: 30.797 ± 0.002 Å
• b: 19.532 ± 0.002 Å
• c: 19.3125 ± 0.0015 Å
• α: 90°
• β: 91.861 ± 0.002°
• γ: 90°
• Cell volume: 11610.9 ± 1.7 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1663
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2595
• Weighted residual factors for all reflections included in the refinement: 0.2874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No