Information card for entry 4505133

Structure parameters

• Common name: [60]fullerene ZnTPP TPyP clathrate
• Chemical name: [60]fullerene zinc tetraphenylporphyrinate tetra(4-pyridyl)porphyrine clathrate
• Formula: C180.25 H77.75 N13.75 Zn2
• Calculated formula: C180.25 H77.75 N13.75 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: 16.6488 ± 0.001 Å
• b: 19.0749 ± 0.0011 Å
• c: 21.5917 ± 0.0013 Å
• α: 90.344 ± 0.002°
• β: 105.864 ± 0.002°
• γ: 96.447 ± 0.002°
• Cell volume: 6549.3 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.2379
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections: 0.2666
• Weighted residual factors for significantly intense reflections: 0.1959
• Goodness-of-fit parameter for all reflections: 0.868
• Goodness-of-fit parameter for significantly intense reflections: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No