Information card for entry 4500276

Structure parameters

• Formula: C14 H14 N2 O16 Pr2 S
• Calculated formula: C14 H14 N2 O16 Pr2 S
• Title of publication: A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate
• Authors of publication: Xu, Jing; Su, Weiping; Hong, Maochun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 337
• a: 10.6611 ± 0.0009 Å
• b: 16.4266 ± 0.0011 Å
• c: 12.4018 ± 0.0008 Å
• α: 90°
• β: 99.793 ± 0.007°
• γ: 90°
• Cell volume: 2140.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No