Information card for entry 4323252

Structure parameters

• Common name: 1,5,6-trimethylbenzimidazole-methoxymethylcobaloxime
• Chemical name: trans-bis(Dimethylglyoximato)-methoxymethyl-(1,5,6-trimethylbenzimidazole)-c obalt(iii)
• Formula: C20.6 H33.4 Co N6 O5.6
• Calculated formula: C20.6 H33.4 Co N6 O5.6
• 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: 8.115 ± 0.001 Å
• b: 15.867 ± 0.001 Å
• c: 19.266 ± 0.002 Å
• α: 90°
• β: 94.24 ± 0.01°
• γ: 90°
• Cell volume: 2473.9 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections: 0.1311
• Weighted residual factors for significantly intense reflections: 0.1215
• Goodness-of-fit parameter for all reflections: 1.105
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No