Information card for entry 7716591

Structure parameters

• Formula: C25 H22 Cl2 Co N9 O9
• Calculated formula: C25 H22 Cl2 Co N9 O9
• 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: 22.5235 ± 0.0003 Å
• b: 12.124 ± 0.0001 Å
• c: 22.4083 ± 0.0003 Å
• α: 90°
• β: 116.387 ± 0.002°
• γ: 90°
• Cell volume: 5481.61 ± 0.15 ų
• Cell temperature: 105 ± 1 K
• Ambient diffraction temperature: 105 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No