Information card for entry 4112446

Structure parameters

• Common name: [Me2NN]Co(toluene)
• Formula: C28 H33 Co N2
• Calculated formula: C28 H33 Co N2
• SMILES: [Co]123456([cH]7[cH]6[cH]5[cH]4[cH]2[c]17C)[N](c1c(cccc1C)C)=C(C=C(C)N3c1c(C)cccc1C)C
• Title of publication: [Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes
• Authors of publication: Xuliang Dai; Pooja Kapoor; Timothy H. Warren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4798 - 4799
• a: 27.388 ± 0.007 Å
• b: 48.097 ± 0.013 Å
• c: 7.307 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9625 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No