Information card for entry 2014822

Structure parameters

• Common name: cobaloxime
• Chemical name: [(S)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^N,N')[(S)-1- phenylethylamine]cobalt(III)
• Formula: C19 H31 Co N6 O5
• Calculated formula: C19 H31 Co N6 O5
• SMILES: [Co]12(N([O])C(=C(N1O)C)C)(N([O])C(=C(N2O)C)C)([NH2][C@H](c1ccccc1)C)[C@H](C(=O)N)C
• Title of publication: [(<i>S</i>)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>S</i>)-1-phenylethylamine]cobalt(III) and bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(<i>N</i>-methylcarbamoyl)ethyl][(<i>R</i>)-1-phenylethylamine]cobalt(III) monohydrate
• Authors of publication: Orisaku, Keiko Komori; Hagiwara, Mieko; Ohgo, Yoshiki; Arai, Yoshifusa; Ohgo, Yoshiaki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m190 - m193
• a: 8.743 ± 0.002 Å
• b: 14.696 ± 0.003 Å
• c: 8.565 ± 0.003 Å
• α: 90°
• β: 93.29 ± 0.02°
• γ: 90°
• Cell volume: 1098.7 ± 0.5 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes