Information card for entry 7047288

Structure parameters

• Formula: C21 H15.67 Gd2 N3 O15.33
• Calculated formula: C21 H15.66 Gd2 N3 O15.3333
• 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: 19.5746 ± 0.0002 Å
• b: 19.5746 ± 0.0002 Å
• c: 21.774 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7225.28 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No