Information card for entry 2011530

Structure parameters

• Chemical name: Tetraaqua(5-fluoro-uracil-1-acetato-O)-copper (II) tetrahydrate
• Formula: C12 H24 Cu F2 N4 O16
• Calculated formula: C12 H24 Cu F2 N4 O16
• SMILES: C1(=O)NC(=O)C(F)=CN1CC(=O)O[Cu]([OH2])([OH2])OC(=O)CN1C(=O)NC(=O)C(F)=C1.O.O.O.O.O.O
• Title of publication: Tetraaqua(5-fluorouracil-1-acetato-<i>O</i>)copper(II) tetrahydrate
• Authors of publication: Huang, Jian; Li, Yi-Zhi; Sun, Gang-Chun; Dai, Rong-Bin; Li, Qin-Xi; Wang, Liu-Fang; Xia, Chun-Gu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: e489 - e490
• a: 8.304 ± 0.001 Å
• b: 12.044 ± 0.002 Å
• c: 11.082 ± 0.002 Å
• α: 90°
• β: 92.47 ± 0.01°
• γ: 90°
• Cell volume: 1107.3 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes