Information card for entry 2010580

Structure parameters

• Chemical name: Hexaaquomagnesium(II) di[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxo- pyrimidin-2-yl)glycinate] dihydrate
• Formula: C14 H32 Mg N10 O16
• Calculated formula: C14 H32 Mg N10 O16
• SMILES: c1(nc(c(N=O)c(=O)n1C)N)NCC(=O)[O-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.c1(nc(c(N=O)c(=O)n1C)N)NCC(=O)[O-].O
• Title of publication: Hexaaquamagnesium(II) bis[<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate] dihydrate
• Authors of publication: Arranz Mascarós, P.; Cobo Domingo, Justo; Godino Salido, M.; Gutiérrez Valero, M. D.; López Garzón, R.; Low, John Nicolson
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: e4 - e5
• a: 7.3152 ± 0.0003 Å
• b: 7.5917 ± 0.0004 Å
• c: 12.3024 ± 0.0006 Å
• α: 86.661 ± 0.003°
• β: 73.172 ± 0.003°
• γ: 81.79 ± 0.03°
• Cell volume: 647.15 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0498
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes