Information card for entry 4321739

Structure parameters

• Common name: 1-methylimidazole-chlorocobaloxime
• Chemical name: trans-bis(Dimethylglyoximato)-chloro-1-methylimidazole-cobalt(iii)
• Formula: C12 H20 Cl Co N6 O4
• Calculated formula: C12 H20 Cl Co N6 O4
• SMILES: [Co]12(Cl)([n]3cn(cc3)C)(N(=O)=C(C(=[N]1O)C)C)[N](O)=C(C(=N2=O)C)C
• 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: 8.9783 ± 0.0015 Å
• b: 9.0136 ± 0.0015 Å
• c: 11.48 ± 0.003 Å
• α: 86.059 ± 0.018°
• β: 84.022 ± 0.017°
• γ: 68.483 ± 0.012°
• Cell volume: 859.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No