Information card for entry 2011985

Structure parameters

• Chemical name: Aqua-[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycyl- glycinato]potassium
• Formula: C9 H13 K N6 O6
• Calculated formula: C9 H13 K N6 O6
• Title of publication: [<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]aquapotassium, a three-dimensional coordination polymer
• Authors of publication: Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 534 - 537
• a: 7.444 ± 0.0004 Å
• b: 7.4642 ± 0.0004 Å
• c: 13.5136 ± 0.0006 Å
• α: 80.3701 ± 0.0017°
• β: 76.0568 ± 0.0018°
• γ: 68.6413 ± 0.0014°
• Cell volume: 676.06 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.067
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No