Information card for entry 7059937

Structure parameters

• Formula: C68 H66 Co2 N6 O4
• Calculated formula: C68 H66 Co2 N6 O4
• SMILES: c12c3c(ccc1)C=[N](c1c(C)cc(C)cc1C)[Co]1([N](=Cc4cccc(c4O1)c1c4c(ccc1)C=[N](c1c(C)cc(C)cc1C)[Co]1([N](=Cc5cccc2c5O1)c1c(C)cc(C)cc1C)O4)c1c(C)cc(C)cc1C)O3.CC#N.CC#N
• Title of publication: Dinuclear cobalt complexes supported by biphenol and binaphthol-derived bis(salicylaldimine) ligands: synthesis, characterization and catalytic application in β-enaminone synthesis from 1,3-dicarbonyl compounds and aliphatic amines
• Authors of publication: Filkale, Adelew Estifanos; Pathak, Chandni
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 35
• Pages of publication: 15109 - 15121
• a: 17.899 ± 0.005 Å
• b: 13.249 ± 0.005 Å
• c: 24.649 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.85 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5845 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No