Information card for entry 4503525

Structure parameters

• Formula: C16 H12 K2 N4 O22 U
• Calculated formula: C16 H12 K2 N4 O22 U
• SMILES: [K+].[U]1234(OC(=O)c5c(C(=O)O)nc(c(C(=O)O1)[n]35)C(=O)O)(OC(=O)c1c(C(=O)O)nc(c(C(=O)O2)[n]14)C(=O)O)(=O)=O.O.O.[K+].O.O
• Title of publication: Pyrazinetetracarboxylic Acid as an Assembler Ligand in Uranyl−Organic Frameworks
• Authors of publication: Masci, Bernardo; Thuéry, Pierre
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1689
• a: 5.8717 ± 0.0003 Å
• b: 10.7693 ± 0.0003 Å
• c: 20.2364 ± 0.0009 Å
• α: 90°
• β: 95.631 ± 0.002°
• γ: 90°
• Cell volume: 1273.46 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No