Information card for entry 7220054

Structure parameters

• Formula: C12 H10 N4 O12 U
• Calculated formula: C12 H10 N4 O12 U
• SMILES: c1(cc[nH+]cc1)C(=O)O[U]12(=O)(=O)([O]=N(=O)O1)([O]=N(=O)O2)OC(=O)c1cc[nH+]cc1
• Title of publication: Uranium(VI) complexes with isonicotinic acid: from monomer to 2D polymer with unique U-N bonding
• Authors of publication: Zhang, Yingjie; Karatchevtseva, Inna; Price, Jason R.; aharonovich, igor; Kadi, Fatima; Lumpkin, Gregory R.; Li, Feng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.539 ± 0.003 Å
• b: 9.1699 ± 0.0018 Å
• c: 13.7 ± 0.003 Å
• α: 90°
• β: 116.31 ± 0.03°
• γ: 90°
• Cell volume: 1637.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7293 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No