Information card for entry 4318197

Structure parameters

• Common name: CoTMPP C60 Toluene
• Chemical name: C60 fullerene cobalt tetrakis(4-methoxy-phenyl)porphyrinate toluene solvate
• Formula: C94.5 H26 Co0.5 N2 O2
• Calculated formula: C94.5 H26 Co0.5 N2 O2
• 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: 13.984 ± 0.0013 Å
• b: 21.388 ± 0.002 Å
• c: 18.1781 ± 0.0017 Å
• α: 90°
• β: 96.586 ± 0.002°
• γ: 90°
• Cell volume: 5401 ± 0.9 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2072
• Weighted residual factors for all reflections included in the refinement: 0.2346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No