Information card for entry 4503526

Structure parameters

• Formula: C16 H12 K2 N4 O22 U
• Calculated formula: C16 H12 K2 N4 O22 U
• SMILES: [K+].[U]1234(OC(=O)c5[n]3c(c(C(=O)O)nc5C(=O)O)C(=O)O1)(=O)(OC(=O)c1c(C(=O)O)nc(c(C(=O)O2)[n]14)C(=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: 8.0517 ± 0.0003 Å
• b: 8.7548 ± 0.0004 Å
• c: 10.2542 ± 0.0004 Å
• α: 110.274 ± 0.002°
• β: 107.093 ± 0.003°
• γ: 90.135 ± 0.002°
• Cell volume: 643.71 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0148
• Residual factor for significantly intense reflections: 0.0127
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.0331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No