Information card for entry 2200120

Structure parameters

• Chemical name: Bis(dimethylglyoximato)[2,2-(dimethylcarbamoyl)ethyl] [(R)-1-phenylethylamine]cobalt(III)
• Formula: C21 H35 Co N6 O5
• Calculated formula: C21 H35 Co N6 O5
• SMILES: [Co]12(N(O)C(=C(N1[O])C)C)(N(O)C(=C(N2[O])C)C)([NH2][C@@H](c1ccccc1)C)CCC(=O)N(C)C
• Title of publication: [2-(<i>N,N</i>-Dimethylcarbamoyl)ethyl]bis(dimethylglyoximato)[(<i>R</i>)-1-phenylethylamine]cobalt(III)
• Authors of publication: Ohgo, Yoshiki; Ohashi, Yuji; Shida, Mitsuru; Hagiwara, Mieko; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: m62 - m64
• a: 8.8987 ± 0.0013 Å
• b: 14.305 ± 0.0016 Å
• c: 10.1286 ± 0.0011 Å
• α: 90°
• β: 97.096 ± 0.009°
• γ: 90°
• Cell volume: 1279.5 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.061
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes