Information card for entry 7047284

Structure parameters

• Formula: C21 H17 N3 O16 Sm2
• Calculated formula: C21 H17 N3 O16 Sm2
• 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: 14.5749 ± 0.0009 Å
• b: 11.2005 ± 0.0006 Å
• c: 14.8295 ± 0.0008 Å
• α: 90°
• β: 94.069 ± 0.005°
• γ: 90°
• Cell volume: 2414.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No