Information card for entry 2205951

Structure parameters

• Chemical name: Chlorobis(dimethylglyoximato)(isonicotinic acid)cobalt(III) monohydrate
• Formula: C14 H21 Cl Co N5 O7
• Calculated formula: C14 H20 Cl Co N5 O7
• SMILES: [Co]12(Cl)([N](O)=C(C(C)=N1=O)C)([N](O)=C(C(C)=N2=O)C)[n]1ccc(cc1)C(=O)O.O.O
• Title of publication: Chlorobis(dimethylglyoximato)(isonicotinic acid)cobalt(III) monohydrate
• Authors of publication: Shen, Xu-Jie; Xiao, Li-Ping; Xu, Ru-Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1156 - m1158
• a: 8.2904 ± 0.0006 Å
• b: 14.2195 ± 0.0008 Å
• c: 16.955 ± 0.0007 Å
• α: 90°
• β: 90.615 ± 0.004°
• γ: 90°
• Cell volume: 1998.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes