Information card for entry 4321736

Structure parameters

• Common name: 1-methylimidazole-ethylcobaloxime
• Chemical name: trans-bis(Dimethylglyoximato)-ethyl-1-methylimidazole-cobalt(iii)
• Formula: C14 H25 Co N6 O4
• Calculated formula: C14 H25 Co N6 O4
• SMILES: [Co]12([N](O)=C(C(=N1=O)C)C)([N](O)=C(C(=N2=O)C)C)([n]1ccn(c1)C)CC
• Title of publication: Use of 13C-1H NMR Coupling Constants To Assess the Binding of Imidazole Ring Ligands to Metals
• Authors of publication: Scott J. Moore; Rene J. Lachicotte; Sharon T. Sullivan; Luigi G. Marzilli
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 383 - 390
• a: 10.9234 ± 0.0001 Å
• b: 15.8804 ± 0.0002 Å
• c: 20.7466 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3598.87 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.1024
• Goodness-of-fit parameter for all reflections: 1.173
• Goodness-of-fit parameter for significantly intense reflections: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No