Information card for entry 7019394

Structure parameters

• Formula: C26 H38 Co2 O4
• Calculated formula: C26 H38 Co2 O4
• SMILES: [Co]1234567([Co]89%10%11%12([O]=C(OC)[CH]6=[C]5%12C(=O)OC)([c]5([c]8([c]9([c]%10([c]%115C)C)C)C)C)[H]7)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• 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: 9.2061 ± 0.0007 Å
• b: 10.7316 ± 0.0008 Å
• c: 13.5466 ± 0.001 Å
• α: 90.049 ± 0.001°
• β: 108.994 ± 0.001°
• γ: 95.498 ± 0.001°
• Cell volume: 1258.93 ± 0.16 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: 0.0329
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No