Information card for entry 4323253

Structure parameters

• Common name: 4-methylpyridine methoxymethylcobaloxime
• Chemical name: trans-bis(Dimethylglyoximato)-methoxymethyl-(4-methylpyridine)-cobalt(iii)
• Formula: C16 H26 Co N5 O5
• Calculated formula: C16 H26 Co N5 O5
• SMILES: [Co]12([N](O)=C(C(=N1=O)C)C)([N](O)=C(C(=N2=O)C)C)([n]1ccc(cc1)C)COC
• Title of publication: Strong Trans Influence Methoxymethyl Ligand in B12 Cobaloxime and Imine/Oxime Model Complexes: Structural, Spectroscopic, and Molecular Mechanics Investigations
• Authors of publication: Renzo Cini; Scott J. Moore; Luigi G. Marzilli
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6890 - 6897
• a: 8.398 ± 0.001 Å
• b: 29.235 ± 0.003 Å
• c: 8.858 ± 0.001 Å
• α: 90°
• β: 115.62 ± 0.01°
• γ: 90°
• Cell volume: 1961 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.1153
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No