Information card for entry 7007353

Structure parameters

• Formula: C26 H27 Co N2 O4
• Calculated formula: C26 H27 Co N2 O4
• SMILES: [Co](=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C(=O)C)(C#[O])(C#[O])C#[O]
• Title of publication: Cobalt N-heterocyclic carbene alkyl and acyl compounds: synthesis, molecular structure and reactivity.
• Authors of publication: Llewellyn, Simon A.; Green, Malcolm L. H.; Cowley, Andrew R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 34
• Pages of publication: 4164 - 4168
• a: 8.6117 ± 0.0002 Å
• b: 33.0497 ± 0.0005 Å
• c: 9.2569 ± 0.0002 Å
• α: 90°
• β: 112.051 ± 0.0006°
• γ: 90°
• Cell volume: 2441.92 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No