Information card for entry 4342776

Structure parameters

• Formula: C42 H59 Cl Co N2 O
• Calculated formula: C42 H59 Cl Co N2 O
• SMILES: [Co](Cl)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Protonolysis and amide exchange reactions of a three-coordinate cobalt amide complex supported by an N-heterocyclic carbene ligand.
• Authors of publication: Hansen, Christopher B.; Jordan, Richard F.; Hillhouse, Gregory L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4603 - 4610
• a: 10.1555 ± 0.0006 Å
• b: 20.2913 ± 0.0011 Å
• c: 19.5144 ± 0.0011 Å
• α: 90°
• β: 100.386 ± 0.0019°
• γ: 90°
• Cell volume: 3955.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No