Information card for entry 2014823

Structure parameters

• Common name: cobaloxime
• Chemical name: bis(dimethylglyoximato-κ^2^N,N')[(R)-1-(N-methylcarbamoyl)ethyl][(R)- 1-phenylethylamine]cobalt(III) monohydrate
• Formula: C20 H35 Co N6 O6
• Calculated formula: C20 H35 Co N6 O6
• SMILES: [Co]12([N](O)=C(C(=[N]1[O])C)C)([N](O)=C(C(=[N]2[O])C)C)([NH2][C@@H](c1ccccc1)C)[C@@H](C(=O)NC)C.O
• 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: 14.1206 ± 0.0019 Å
• b: 14.169 ± 0.002 Å
• c: 12.372 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2475.3 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes