Information card for entry 2205784

Structure parameters

• Chemical name: Disodium 3-oxobutane-2,2-diylbis(diazeniumdiolate) dihydrate
• Formula: C4 H10 N4 Na2 O7
• Calculated formula: C4 H10 N4 Na2 O7
• SMILES: [Na+].[Na+].CC(=O)C(N([O-])N=O)(N([O-])N=O)C.O.O
• Title of publication: Disodium 3-oxobutane-2,2-diylbis(diazeniumdiolate) dihydrate
• Authors of publication: Arulsamy, Navamoney; Bohle, D. Scott
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m838 - m840
• a: 6.625 ± 0.001 Å
• b: 8.525 ± 0.001 Å
• c: 9.821 ± 0.002 Å
• α: 92.62 ± 0.01°
• β: 103.42 ± 0.01°
• γ: 96.89 ± 0.01°
• Cell volume: 534.07 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes