Information card for entry 7062738

Structure parameters

• Chemical name: Department of ChemistryUniversity of AnywhereSometownSomewhere, UK
• Formula: C62 H57 Co2 N5 O5
• Calculated formula: C62 H57 Co2 N5 O5
• SMILES: [Co]123Oc4c(c5c6O[Co]7(Oc8c(c9c(O1)c(C=[N]3c1c(C)cccc1C)ccc9)cccc8C=[N]7c1c(cccc1C)C)[N](c1c(C)cccc1C)=Cc6ccc5)cccc4C=[N]2c1c(C)cccc1C.O.N#CC
• 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: 12.078 ± 0.002 Å
• b: 13.095 ± 0.002 Å
• c: 33.434 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5288 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No