Information card for entry 2209865

Structure parameters

• Chemical name: [N,N'-Bis(1-benzoylisopropylidene)propane-1,3-diamine(2-)]copper(II)
• Formula: C23 H24 Cu N2 O2
• Calculated formula: C23 H24 Cu N2 O2
• SMILES: C1(=CC(C)=[N]2CCC[N]3=C(C)C=C(c4ccccc4)O[Cu]23O1)c1ccccc1
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(1-benzoylisopropylidene)propane-1,3-diamine(2{-})]copper(II)
• Authors of publication: Arıcı, Cengiz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1950 - m1951
• a: 24.2385 ± 0.0012 Å
• b: 8.3306 ± 0.0013 Å
• c: 20.1928 ± 0.0014 Å
• α: 90°
• β: 102.113 ± 0.003°
• γ: 90°
• Cell volume: 3986.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes