Information card for entry 7019395

Structure parameters

• Formula: C19 H32 Co O4 P
• Calculated formula: C19 H32 Co O4 P
• SMILES: [Co]12345([P](C)(C)C)([c]6([c]4([c]3([c]2([c]16C)C)C)C)C)[CH](=[CH]5C(=O)OC)C(=O)OC
• 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: 14.986 ± 0.004 Å
• b: 14.019 ± 0.004 Å
• c: 9.855 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2070.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No