Information card for entry 7019396

Structure parameters

• Formula: C17 H23 Co O5
• Calculated formula: C17 H23 Co O5
• SMILES: [Co]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)([CH](=[CH]5C(=O)OC)C(=O)OC)C#[O]
• Title of publication: sp(2) C-H activation of dimethyl fumarate by a [(Cp*Co)(2)-μ-(η(4) : η(4)-toluene)] complex.
• Authors of publication: Hung-Low, Fernando; Tye, Jesse W.; Cheng, Shannon; Bradley, Christopher A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8190 - 8197
• a: 8.331 ± 0.004 Å
• b: 9.448 ± 0.004 Å
• c: 11.207 ± 0.005 Å
• α: 86.917 ± 0.004°
• β: 83.484 ± 0.004°
• γ: 78.249 ± 0.004°
• Cell volume: 857.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No