Information card for entry 2207853

Structure parameters

• Chemical name: Tetraaquabis(5-fluorouracil-1-acetato)manganese(II)
• Formula: C12 H16 F2 Mn N4 O12
• Calculated formula: C12 H16 F2 Mn N4 O12
• SMILES: C(=O)(CN1C(=O)NC(=O)C(=C1)F)O[Mn](OC(=O)CN1C(=O)NC(=O)C(=C1)F)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis(5-fluorouracil-1-acetato)manganese(II)
• Authors of publication: Mao-Lin Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m32 - m33
• a: 13.182 ± 0.0013 Å
• b: 5.1106 ± 0.0005 Å
• c: 14.2202 ± 0.0014 Å
• α: 90°
• β: 99.809 ± 0.002°
• γ: 90°
• Cell volume: 943.98 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes