Information card for entry 2206854

Structure parameters

• Chemical name: Tetraaquabis(uracil-1-acetato)cadmium(II)
• Formula: C12 H18 Cd N4 O12
• Calculated formula: C12 H18 Cd N4 O12
• SMILES: C(=O)(CN1C(=O)NC(=O)C=C1)O[Cd](OC(=O)CN1C(=O)NC(=O)C=C1)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis(uracil-1-acetato)cadmium(II)
• Authors of publication: Miao, Qian; Mao-Lin Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2083 - m2085
• a: 12.6956 ± 0.0009 Å
• b: 5.1295 ± 0.0004 Å
• c: 13.9659 ± 0.001 Å
• α: 90°
• β: 98.452 ± 0.001°
• γ: 90°
• Cell volume: 899.61 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0238
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes