Information card for entry 1561139

Structure parameters

• Formula: C17 H10 Cd N2 O6
• Calculated formula: C17 H10 Cd N2 O6
• Title of publication: A luminescent Cd(II)-based metal−organic framework for detection of Fe(III) ions in aqueous solution
• Authors of publication: Li, Fen-Fang; Zhu, Miao-Li; Lu, Li-Ping
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 261
• Pages of publication: 31 - 36
• a: 16.846 ± 0.003 Å
• b: 4.727 ± 0.0009 Å
• c: 18.196 ± 0.004 Å
• α: 90°
• β: 101.05 ± 0.03°
• γ: 90°
• Cell volume: 1422.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2416
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.72 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No