Information card for entry 8103280

Structure parameters

• Common name: Lu(BTC)H2O
• Formula: C4.5 H2.5 Lu0.5 O3.5
• Calculated formula: C4.5 H1.5 Lu0.5 O3.5
• Title of publication: Crystal structure of aqua(benzene-1,3,5-tricarboxylato)lutetium(III), Lu(H2O)(C9H3O6)
• Authors of publication: Zhongyue Li; Kun Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 1
• Pages of publication: 91
• a: 10.2245 ± 0.0014 Å
• b: 10.2245 ± 0.0014 Å
• c: 14.369 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1502.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.548
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No