Information card for entry 7210090

Structure parameters

• Formula: C50 H34.67 Ce N2 Na0.33 O10
• Calculated formula: C50 H32 Ce N2 Na0.333333 O10
• Title of publication: Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands
• Authors of publication: Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 4910
• a: 29.5404 ± 0.0012 Å
• b: 29.5404 ± 0.0012 Å
• c: 14.9218 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11276.8 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No