Information card for entry 2013202

Structure parameters

• Chemical name: Di-μ-aqua-bis[μ-6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato- κ^3^O^4^,N^5^:O^5^]bis{diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)- dionato-κ^2^N^1^,O^2^]strontium(II)}
• Formula: C20 H32 N16 O18 Sr2
• Calculated formula: C20 H32 N16 O18 Sr2
• SMILES: [Sr]12345([n]6c(O3)n(C)c(=O)c(N=O)c6N)([OH2])([OH2])Oc3n(C)c(=O)nc(N)c3[N]1=[O][Sr]13([n]6c(O3)n(C)c(=O)c(N=O)c6N)([OH2]4)([OH2]5)([OH2])([OH2])Oc3n(C)c(=O)nc(N)c3[N]1=[O]2
• Title of publication: Bis[μ-6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionato-κ^3^<i>O</i>^4^,<i>N</i>^5^:<i>O</i>^5^]-di-μ-aqua-bis{diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dionato-κ^2^<i>N</i>^1^,<i>O</i>^2^]strontium(II)}: centrosymmetric dimers containing nine-coordinate Sr, linked by multiple hydrogen bonds into a three-dimensional framework
• Authors of publication: Low, John N.; Arranz, Paloma; Cuesta, Rafael; Gutiérrez, M. Dolores; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: m21 - m24
• a: 6.9388 ± 0.0002 Å
• b: 9.8852 ± 0.0002 Å
• c: 14.1962 ± 0.0004 Å
• α: 69.965 ± 0.002°
• β: 77.518 ± 0.002°
• γ: 72.361 ± 0.002°
• Cell volume: 864.91 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes