Information card for entry 2205660

Structure parameters

• Chemical name: Tripotassium ethanoate-2,2-diylbis(diazeniumdiolate) 2.5-hydrate
• Formula: C2 H6 K3 N4 O8.5
• Calculated formula: C2 H6 K3 N4 O8.5
• SMILES: [K+].[K+].[K+].[O-]N(N=O)C(N([O-])N=O)C(=O)[O-].O.O.O
• Title of publication: Tripotassium carboxylatomethylenebis(diazeniumdiolate) 2.5-hydrate
• 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: m930 - m932
• a: 28.831 ± 0.003 Å
• b: 9.3063 ± 0.0012 Å
• c: 8.6456 ± 0.0012 Å
• α: 90°
• β: 100.642 ± 0.01°
• γ: 90°
• Cell volume: 2279.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes