Information card for entry 2011370

Structure parameters

• Chemical name: Tetraaqua(5-fluoro-uracil-1-acetato-O)-zinc(II) tetrahydrate
• Formula: C12 H24 F2 N4 O16 Zn
• Calculated formula: C12 H24 F2 N4 O16 Zn
• SMILES: FC1=CN(CC(=O)O[Zn]([OH2])([OH2])([OH2])([OH2])OC(=O)CN2C(=O)NC(=O)C(F)=C2)C(=O)NC1=O.O.O.O.O
• Title of publication: <i>trans</i>-Tetraaquabis(5-fluorouracil-1-acetato-<i>O</i>)zinc(II) tetrahydrate
• Authors of publication: Li, Chang-Zheng; Wang, Liu-Fang; Li, Yi-Zhi; Xia, Chun-Gu; Dai, Rong-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e376 - e377
• a: 8.571 ± 0.002 Å
• b: 12.102 ± 0.002 Å
• c: 10.814 ± 0.002 Å
• α: 90°
• β: 91.53 ± 0.02°
• γ: 90°
• Cell volume: 1121.3 ± 0.4 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: 0.032
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes