Information card for entry 4505138

Structure parameters

• Common name: [(ZnTPP)2-BPE]-BPE-C6H5CN-C7H8
• Formula: C70 H47.5 N7.5 Zn
• Calculated formula: C70 H47.5 N7.5 Zn
• 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: 11.3466 ± 0.0006 Å
• b: 11.3616 ± 0.0006 Å
• c: 21.5015 ± 0.0011 Å
• α: 82.539 ± 0.002°
• β: 89.719 ± 0.002°
• γ: 73.093 ± 0.002°
• Cell volume: 2628 ± 0.2 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: 0.1762
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No