Information card for entry 7021279

Structure parameters

• Formula: C42 H52 Cl4 Co2 N4 O0
• Calculated formula: C42 H52 Cl4 Co2 N4
• SMILES: c1(c(cc(cc1C)C)C)N1C(N(c2c(C)cc(cc2C)C)CC1)=[Co]1(Cl)[Cl][Co](=C2N(c3c(cc(cc3C)C)C)CCN2c2c(cc(cc2C)C)C)(Cl)[Cl]1
• Title of publication: Mono-N-heterocyclic carbene amido and alkyl complexes. Cobalt-mediated C-H activation and C-C coupling reactions involving benzyl ligands on a putative 3-coordinate intermediate.
• Authors of publication: Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 7276 - 7280
• a: 14.9613 ± 0.0004 Å
• b: 12.2767 ± 0.0003 Å
• c: 14.9613 ± 0.0004 Å
• α: 90°
• β: 117.21°
• γ: 90°
• Cell volume: 2443.92 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0994
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.2243
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No