Information card for entry 7203922

Structure parameters

• Chemical name: N,N'-Ethylenebis(1,5-diphenyl-2,5-pentanedioneiminato)copper(II)
• Formula: C36 H34 Cu N2 O2
• Calculated formula: C36 H34 Cu N2 O2
• SMILES: [Cu]123OC(=CC(=[N]2CC[N]3=C(C=C(O1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Conformational flexibility and role of aromatic‒aromatic interactions in the crystal packing of the coordination compounds of some novel quadridentate Schiff bases
• Authors of publication: Pulkkinen, Juha T.; Laatikainen, Reino; Ahlgrén, Markku J.; Peräkylä, Mikael; Vepsäläinen, Jouko J.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 777
• a: 25.85 ± 0.005 Å
• b: 13.195 ± 0.003 Å
• c: 8.711 ± 0.002 Å
• α: 90°
• β: 93.26 ± 0.03°
• γ: 90°
• Cell volume: 2966.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.156
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.727
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No