Information card for entry 7716588

Structure parameters

• Formula: C29 H26 Cl3 Co N8 O12
• Calculated formula: C27 H23 Cl3 Co N7 O12
• 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: 16.159 ± 0.0003 Å
• b: 17.8462 ± 0.0003 Å
• c: 13.1978 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3805.94 ± 0.11 ų
• Cell temperature: 105.4 ± 0.8 K
• Ambient diffraction temperature: 105.15 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No