Information card for entry 7240012

Structure parameters

• Formula: C38 H36.7 Cd Cl2 N6 O6.85
• Calculated formula: C38 H30 Cd Cl2 N6 O4
• 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: 9.6284 ± 0.0006 Å
• b: 10.2786 ± 0.0004 Å
• c: 18.7313 ± 0.0009 Å
• α: 91.228 ± 0.004°
• β: 101.525 ± 0.004°
• γ: 90.458 ± 0.004°
• Cell volume: 1815.83 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No