Information card for entry 2210691

Structure parameters

• Chemical name: Aquabis(dimethylyglyoximato-κ^2^N,N')nitrocobalt (III) monohydrate
• Formula: C8 H18 Co N5 O8
• Calculated formula: C8 H18 Co N5 O8
• SMILES: [Co]12([OH2])(N(=O)=C(C(=N1=O)C)C)([N](O)=C(C(=[N]2O)C)C)N(=O)=O.O
• Title of publication: Aquabis(dimethylyglyoximato-κ^2^<i>N</i>,<i>N</i>')nitrocobalt(III) monohydrate
• Authors of publication: Rubin-Preminger, Janice M.; Englert, Ulli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2659 - m2660
• a: 8.0846 ± 0.0012 Å
• b: 17.213 ± 0.002 Å
• c: 13.1945 ± 0.0015 Å
• α: 90°
• β: 125.521 ± 0.007°
• γ: 90°
• Cell volume: 1494.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1659
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes