Information card for entry 7031908

Structure parameters

• Formula: C40 H46 Cl2 Co N2 O4
• Calculated formula: C40 H46 Cl2 Co N2 O4
• SMILES: C(C)(C)(C)c1c2O[Co]345([O]=c6c(=[N]4c4cc(Cl)ccc4O3)cc(C(C)(C)C)cc6C(C)(C)C)[N](c2cc(C(C)(C)C)c1)=c1cc(Cl)ccc1=[O]5
• Title of publication: Switching and redox isomerism in first-row transition metal complexes containing redox active Schiff base ligands.
• Authors of publication: Sasmal, Ashok; Garribba, Eugenio; Gómez-García, Carlos J; Desplanches, Cédric; Mitra, Samiran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15958 - 15967
• a: 11.7045 ± 0.0009 Å
• b: 20.4577 ± 0.0016 Å
• c: 15.7782 ± 0.0012 Å
• α: 90°
• β: 97.938 ± 0.002°
• γ: 90°
• Cell volume: 3741.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No