Information card for entry 7241210

Structure parameters

• Formula: C42 H40 Cd1.5 N5 O9
• Calculated formula: C42 H40 Cd1.5 N5 O9
• Title of publication: A novel cadmium metal-organic framework-based multiresponsive fluorescent sensor demonstrating the outstanding sensitivities and selectivities for detecting NB, Fe3+ ions and Cr2O72− anions
• Authors of publication: Wang, Xiuli; Liu, Yu; Lin, Hongyan; Xu, Na; Liu, Guocheng; Wang, Xiang; Chang, Zhi-Han; Li, Jianrong
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 13.6803 ± 0.0013 Å
• b: 13.8392 ± 0.0013 Å
• c: 14.6811 ± 0.0015 Å
• α: 101.399 ± 0.002°
• β: 99.384 ± 0.002°
• γ: 116.889 ± 0.002°
• Cell volume: 2326.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0638
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No