Information card for entry 4505131

Structure parameters

• Common name: [Zn(II)TPP]2Prz*C60
• Chemical name: bis-(tetraphenylporphirinate Zn(II))pyrazine fullerene molecular complex
• Formula: C190.5 H98.02 N10.66 Zn2
• Calculated formula: C190.5 H98.02 N10.66 Zn2
• Title of publication: [60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties
• Authors of publication: Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1807
• a: 13.3658 ± 0.0002 Å
• b: 19.5386 ± 0.0003 Å
• c: 24.7121 ± 0.0004 Å
• α: 85.67°
• β: 84.58°
• γ: 88.38°
• Cell volume: 6404.9 ± 0.17 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No