Information card for entry 2022531

Structure parameters

• Chemical name: Poly[dimethylazanium [bis(μ-pyridine-2,5-dicarboxylato)gadolinium(III)]]
• Formula: C16 H13 Gd N3 O8
• Calculated formula: C16 H13 Gd N3 O8
• Title of publication: A three-dimensional gadolinium organic framework based on a pyridinedicarboxylic acid organic linker with a paddle-wheel-type network structure
• Authors of publication: Tiwari, Ranjay K.; Saini, Mukesh Kumar; Behera, Jogendra N.; Hussain, Firasat
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 2
• a: 17.9185 ± 0.0007 Å
• b: 18.0874 ± 0.0008 Å
• c: 26.5146 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8593.4 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 305.34 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes