Information card for entry 7016735

Structure parameters

• Formula: C26 H20 Cu N4 O4
• Calculated formula: C26 H20 Cu N4 O4
• SMILES: [Cu]123[n]4ccccc4C(=O)N1c1ccccc1OCCOc1ccccc1N2C(=O)c1[n]3cccc1
• 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: 8.567 ± 0.003 Å
• b: 8.993 ± 0.003 Å
• c: 14.944 ± 0.005 Å
• α: 75.12 ± 0.006°
• β: 83.788 ± 0.005°
• γ: 78.118 ± 0.006°
• Cell volume: 1087 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.2509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No