Information card for entry 7047283

Structure parameters

• Formula: C10.5 H9.5 N1.5 O8.5 Pr
• Calculated formula: C10.5 H9.5 N1.5 O8.5 Pr
• Title of publication: A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties
• Authors of publication: Kumar, Manesh; Kariem, Mukaddus; Sheikh, Haq Nawaz; Frontera, Antonio; Seth, Saikat Kumar; Jassal, Amanpreet Kaur
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 8.8422 ± 0.0007 Å
• b: 10.7274 ± 0.0008 Å
• c: 18.8231 ± 0.0016 Å
• α: 75.375 ± 0.007°
• β: 83.809 ± 0.007°
• γ: 69.205 ± 0.007°
• Cell volume: 1614.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No