Information card for entry 4513201

Structure parameters

• Formula: C18 H14 Cd N4 O6
• Calculated formula: C18 H14 Cd N4 O6
• 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: 5.9502 ± 0.0003 Å
• b: 9.9575 ± 0.0005 Å
• c: 16.4531 ± 0.0009 Å
• α: 74.197 ± 0.002°
• β: 84.359 ± 0.002°
• γ: 89.099 ± 0.002°
• Cell volume: 933.38 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No