Information card for entry 7062739

Structure parameters

• Chemical name: Department of ChemistryUniversity of AnywhereSometownSomewhere, UK
• Formula: C69 H70 Cl2 Co2 N4 O4
• Calculated formula: C69 H70 Cl2 Co2 N4 O4
• SMILES: [Co]123Oc4c(cccc4c4cccc5c4O[Co]4(Oc6c(cccc6c6cccc(c6O1)C=[N]3c1c(CC)cccc1CC)C=[N]4c1c(CC)cccc1CC)[N](=C5)c1c(CC)cccc1CC)C=[N]2c1c(CC)cccc1CC.ClCCl
• Title of publication: Binuclear cobalt(ii) complexes: synthesis, structure, characterizations and catalytic applications in acceptor-less dehydrogenation (AD) of primary alcohols into aldehydes
• Authors of publication: Estifanos Filkale, Adelew; Gangwar, Manoj Kumar; Pandey, Indresh Kumar; Butcher, Ray
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 42
• Pages of publication: 19657 - 19671
• a: 12.2854 ± 0.0015 Å
• b: 13.8933 ± 0.0019 Å
• c: 18.666 ± 0.003 Å
• α: 85.816 ± 0.004°
• β: 80.738 ± 0.005°
• γ: 78.222 ± 0.004°
• Cell volume: 3075.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0533
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No