Information card for entry 7718518

Structure parameters

• Formula: C26 H22 Cl Co N6 O6
• Calculated formula: C26 H22 Cl Co N6 O6
• Title of publication: Regiospecific arene C-H self-hydroxylation in pentadentate ligand <i>via</i> activation of atmospheric dioxygen utilizing Co(II) precursors under ambient reaction conditions: experimental and DFT optimized studies.
• Authors of publication: Kukreti, Prashant; Chauhan, Rahul; Hitomi, Yutaka; Ghosh, Kaushik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 7707 - 7717
• a: 8.3792 ± 0.0004 Å
• b: 11.2793 ± 0.0006 Å
• c: 13.4979 ± 0.0007 Å
• α: 88.409 ± 0.002°
• β: 81.453 ± 0.002°
• γ: 79.1 ± 0.002°
• Cell volume: 1238.78 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No