Information card for entry 7716593

Structure parameters

• Formula: C27 H26 Co N15 O S
• Calculated formula: C27 H26 Co N15 O S
• 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: 13.4885 ± 0.0005 Å
• b: 15.3951 ± 0.0005 Å
• c: 16.3964 ± 0.0004 Å
• α: 89.394 ± 0.002°
• β: 66.838 ± 0.003°
• γ: 71.033 ± 0.003°
• Cell volume: 2933.37 ± 0.19 ų
• Cell temperature: 120 ± 0.4 K
• Ambient diffraction temperature: 120 ± 0.4 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: 0.0888
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No