Information card for entry 4508955

Structure parameters

• Formula: C21 H12 N3 O16 Pr3.25
• Calculated formula: C21 H12 N3 O16 Pr3.25
• Title of publication: Three-Dimensional Lanthanide−Organic Frameworks Based on Di-, Tetra-, and Hexameric Clusters
• Authors of publication: Shi, Fa-Nian; Cunha-Silva, Luís; Trindade, Tito; Paz, Filipe A. Almeida; Rocha, João
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 2098
• a: 22.6389 ± 0.0006 Å
• b: 22.6389 ± 0.0006 Å
• c: 9.3466 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4148.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No