Information card for entry 7701250

Structure parameters

• Formula: C16 H17.45 Cd N6 O3.72
• Calculated formula: C16 H17.448 Cd N6 O3.724
• Title of publication: Stimuli Responsive Multifunctional ZMOF based on an Unorthodox Polytopic ligand: Reversible Thermochromism and Anion Triggered Metallogelation
• Authors of publication: Tom, Lincy; Kurup, M. R. Prathapachandra
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 35.013 ± 0.002 Å
• b: 35.013 ± 0.002 Å
• c: 14.6617 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15565.9 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.611
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No