Information card for entry 2217920

Structure parameters

• Chemical name: Bis(2-aminopyrimidine-κN^1^)diaquadinitrato-κO;κ^2^O,O'-cadmium(II) monohydrate
• Formula: C8 H16 Cd N8 O9
• Calculated formula: C8 H16 Cd N8 O9
• SMILES: [Cd]1([n]2c(nccc2)N)([n]2c(nccc2)N)([O]=N(O1)=O)(ON(=O)=O)([OH2])[OH2].O
• Title of publication: Bis(2-aminopyrimidine-κ<i>N</i>^1^)diaquadinitrato-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-cadmium(II) monohydrate
• Authors of publication: Tai, Xi-Shi; Feng, Yi-Min; Wang, Lin-Tong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m537
• a: 13.451 ± 0.002 Å
• b: 7.8692 ± 0.0014 Å
• c: 16.699 ± 0.003 Å
• α: 90°
• β: 101.33 ± 0.002°
• γ: 90°
• Cell volume: 1733.1 ± 0.5 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: 0.0367
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes