Information card for entry 7016736

Structure parameters

• Formula: C26 H20 Co N4 O4
• Calculated formula: C26 H20 Co N4 O4
• SMILES: [Co]1234[O](c5c(N2C(=O)c2[n]1cccc2)cccc5)CCOc1ccccc1N3C(=O)c1[n]4cccc1
• Title of publication: Cobalt(ii), nickel(ii) and copper(ii) complexes of a hexadentate pyridine amide ligand. Effect of donor atom (ether vs. thioether) on coordination geometry, spin-state of cobalt and M(III)-M(II) redox potential.
• Authors of publication: Pandey, Sharmila; Das, Partha Pratim; Singh, Akhilesh Kumar; Mukherjee, Rabindranath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10758 - 10768
• a: 9.461 ± 0.004 Å
• b: 13.056 ± 0.006 Å
• c: 18.04 ± 0.008 Å
• α: 90°
• β: 95.288 ± 0.008°
• γ: 90°
• Cell volume: 2218.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1008
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.2244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No