Information card for entry 4513199

Structure parameters

• Formula: C21 H14 Cd N3 O5
• Calculated formula: C21 H14 Cd N3 O5
• Title of publication: Auxiliary Ligand-Assisted Structural Variation of Cd(II) Metal‒Organic Frameworks Showing 2D →3D Polycatenation and Interpenetration: Synthesis, Structure, Luminescence Properties, and Selective Sensing of Trinitrophenol
• Authors of publication: Singh, Divyendu; Nagaraja, C. M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3356
• a: 11.7783 ± 0.0009 Å
• b: 9.8847 ± 0.0007 Å
• c: 18.2783 ± 0.0015 Å
• α: 90°
• β: 108.294 ± 0.003°
• γ: 90°
• Cell volume: 2020.5 ± 0.3 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: 0.0728
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No