Information card for entry 4503848

Structure parameters

• Formula: C8 H11 O7 P2 Pr
• Calculated formula: C8 H11 O7 P2 Pr
• Title of publication: Hydro-Ionothermal Synthesis of Lanthanide-Organic Frameworks with 1,4-Phenylenebis(methylene)diphosphonate
• Authors of publication: Shi, Fa-Nian; Trindade, Tito; Rocha, João; Paz, Filipe A. Almeida
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 3917
• a: 5.6753 ± 0.0003 Å
• b: 9.528 ± 0.0004 Å
• c: 11.5759 ± 0.0005 Å
• α: 73.985 ± 0.002°
• β: 80.573 ± 0.003°
• γ: 79.193 ± 0.002°
• Cell volume: 586.82 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No