Information card for entry 7010762

Structure parameters

• Formula: C80 H112 Ce N16
• Calculated formula: C80 H112 Ce N16
• Title of publication: Lanthanide porphyrazine sandwich complexes: synthetic, structural and spectroscopic investigations
• Authors of publication: Garrido Montalban, Antonio; Michel, Sarah L. J.; Baum, Sven M.; Vesper, Benjamin J.; White, Andrew J. P.; Williams, David J.; Barrett, Anthony G. M.; Hoffman, Brian M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 3269
• a: 32.0941 ± 0.0015 Å
• b: 9.6173 ± 0.0008 Å
• c: 27.8404 ± 0.0013 Å
• α: 90°
• β: 112.655 ± 0.004°
• γ: 90°
• Cell volume: 7930.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.1398
• Weighted residual factors for significantly intense reflections: 0.1272
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No