Information card for entry 7038108

Structure parameters

• Formula: C26 H33 Cl3 Co I N4 O2
• Calculated formula: C26 H33 Cl3 Co I N4 O2
• SMILES: [Co]123(I)([O]=C(C=C(O1)C)C)c1c(N4C=3N(C=C4)CCCC)cccc1N1C=2N(C=C1)CCCC.ClC(Cl)Cl
• 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: 8.4464 ± 0.0003 Å
• b: 10.4389 ± 0.0004 Å
• c: 18.6009 ± 0.0007 Å
• α: 94.144 ± 0.002°
• β: 99.879 ± 0.002°
• γ: 110.932 ± 0.002°
• Cell volume: 1493.13 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No