Information card for entry 2014374

Structure parameters

• Chemical name: {2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)
• Formula: C22 H27 Cu N3 O2
• Calculated formula: C22 H27 Cu N3 O2
• SMILES: [Cu]1234Oc5ccccc5C(=[N]1CCC[NH]2CCC[N]3=C(C)c1ccccc1O4)C
• Title of publication: {2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)
• Authors of publication: Mahbod Morshedi; Soraia Meghdadi; Schenk, Kurt J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m87 - m89
• a: 18.12 ± 0.004 Å
• b: 11.317 ± 0.002 Å
• c: 19.777 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4055.6 ± 1.4 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes