Information card for entry 7716594

Structure parameters

• Formula: C25 H23 Cl2 Co F N6 O9.5
• Calculated formula: C25 H23 Cl2 Co F N6 O9.5
• Title of publication: Co(III) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing ¹³C NMR peak.
• Authors of publication: Ismael, Fouad; Fleming, Cassandra L.; Christopher, Timothy D.; Söhnel, Tilo; Zhou, Yuchen; Krenske, Elizabeth H.; Gahan, Lawrence R.; Blackman, Allan G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 12688 - 12697
• a: 12.795 ± 0.0002 Å
• b: 14.1951 ± 0.0002 Å
• c: 16.8217 ± 0.0002 Å
• α: 105.416 ± 0.0012°
• β: 98.6806 ± 0.0012°
• γ: 107.235 ± 0.0014°
• Cell volume: 2724.14 ± 0.08 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0355
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No