Information card for entry 7038107

Structure parameters

• Formula: C22 H32 Cl2 Co N5
• Calculated formula: C22 H32 Cl2 Co N5
• SMILES: [Co]12(Cl)(Cl)([NH](C)C)c3c(N4C=2N(C=C4)CCCC)cccc3N2C=1N(C=C2)CCCC
• Title of publication: Transmetallation from CCC-NHC pincer Zr complexes in the synthesis of air-stable CCC-NHC pincer Co(iii) complexes and initial hydroboration trials.
• Authors of publication: Reilly, Sean W.; Webster, Charles Edwin; Hollis, T. Keith; Valle, Henry U.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2823 - 2828
• a: 12.0081 ± 0.0002 Å
• b: 13.2257 ± 0.0002 Å
• c: 15.1254 ± 0.0002 Å
• α: 90°
• β: 94.072 ± 0.001°
• γ: 90°
• Cell volume: 2396.08 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.2089
• Weighted residual factors for all reflections included in the refinement: 0.2205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No