Information card for entry 7240011

Structure parameters

• Formula: C54 H44 Cd2 Cl4 N8 O8
• Calculated formula: C54 H44 Cd2 Cl4 N8 O8
• Title of publication: Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions
• Authors of publication: Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 14.9929 ± 0.0003 Å
• b: 21.3309 ± 0.0004 Å
• c: 16.5227 ± 0.0002 Å
• α: 90°
• β: 98.64 ± 0.002°
• γ: 90°
• Cell volume: 5224.19 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No