Information card for entry 2012137

Structure parameters

• Chemical name: Diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)dionato]sodium
• Formula: C5 H9 N4 Na O5
• Calculated formula: C5 H9 N4 Na O5
• Title of publication: [6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionato]sodium dihydrate at 150K: coordination-polymer ladders linked by hydrogen bonds
• Authors of publication: Cuesta, Rafael; Arranz-Mascarós, Paloma; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 918 - 921
• a: 7.0529 ± 0.0002 Å
• b: 8.1852 ± 0.0002 Å
• c: 8.745 ± 0.0006 Å
• α: 63.365 ± 0.002°
• β: 89.575 ± 0.002°
• γ: 88.637 ± 0.003°
• Cell volume: 451.14 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes