Information card for entry 4347365

Structure parameters

• Common name: Cerium(III) PDA
• Formula: C84 H39 Ce3 N12 O24
• Calculated formula: C84 H39 Ce3 N12 O24
• Title of publication: Monomers, Dimers, and Helices: Complexities of Cerium and Plutonium Phenanthrolinecarboxylates.
• Authors of publication: Cary, Samantha K.; Ferrier, Maryline G.; Baumbach, Ryan E.; Silver, Mark A.; Lezama Pacheco, Juan; Kozimor, Stosh A.; La Pierre, Henry S.; Stein, Benjamin W.; Arico, Alexandra A.; Gray, Danielle L.; Albrecht-Schmitt, Thomas E
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4373 - 4380
• a: 34.693 ± 0.003 Å
• b: 15.4852 ± 0.0013 Å
• c: 12.4208 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6672.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No