Information card for entry 1564177

Structure parameters

• Formula: C14 H12 Gd2 N2 O12
• Calculated formula: C14 H8 Gd2 N2 O10
• Title of publication: Construction of a highly stable lanthanide metal-organic framework for effective detection of aryl-organophosphorus flame retardants in simulated wastewater and fruit juices
• Authors of publication: Wei, Wei; Zhang, Kai; Wang, Xue-Ting; Du, Shao-Wu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119840
• a: 7.5603 ± 0.0004 Å
• b: 15.3841 ± 0.0009 Å
• c: 16.8771 ± 0.001 Å
• α: 90°
• β: 94.502 ± 0.002°
• γ: 90°
• Cell volume: 1956.89 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 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: 0.0686
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No