Information card for entry 4505359

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: Formation of Coordination Porphyrin Pentamers in New Supramolecular Complex of Fullerene: {(ZnTPP)4·4-TPyP}·(C60)2·(C6H5CN)3.5
• Authors of publication: Konarev, Dmitri V.; Litvinov, Alexey L.; Neretin, Ivan S.; Drichko, Natalia V.; Slovokhotov, Yury L.; Lyubovskaya, Rimma N.; Howard, Judith A. K.; Yufit, D. S.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 643
• 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