Information card for entry 7716590

Structure parameters

• Formula: C25 H26.5 Cl2 Co N6 O11.75
• Calculated formula: C25 H26.5 Cl2 Co N6 O11.75
• 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: 9.0704 ± 0.0002 Å
• b: 12.1819 ± 0.0003 Å
• c: 14.3572 ± 0.0003 Å
• α: 99.034 ± 0.002°
• β: 105.917 ± 0.002°
• γ: 107.125 ± 0.002°
• Cell volume: 1408.29 ± 0.06 ų
• Cell temperature: 104 ± 1 K
• Ambient diffraction temperature: 104 ± 1 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: 0.052
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No