Information card for entry 4302164

Structure parameters

• Formula: C51 H24 F18 La2 O12
• Calculated formula: C51 H24 F18 La2 O12
• Title of publication: Three Lanthanum MOF Polymorphs: Insights into Kinetically and Thermodynamically Controlled Phases
• Authors of publication: Felipe Gándara; Víctor A. de la Peña-O'Shea; Francesc Illas; Natalia Snejko; David M. Proserpio; Enrique Gutiérrez-Puebla; M. Angeles Monge
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4707 - 4713
• a: 7.791 ± 0.0009 Å
• b: 21.372 ± 0.003 Å
• c: 36.997 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6160.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n a n
• Hall space group symbol: -P 2n 2bc
• Residual factor for all reflections: 0.436
• Residual factor for significantly intense reflections: 0.1388
• Weighted residual factors for significantly intense reflections: 0.2394
• Weighted residual factors for all reflections included in the refinement: 0.3626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No