Information card for entry 8101872

Structure parameters

• Chemical name: N,N'-ethylene(bis(benzoylacetoniminato)copper(II)
• Formula: C22 H22 Cu N2 O2
• Calculated formula: C22 H22 Cu N2 O2
• SMILES: [Cu]123OC(=CC(=[N]2CC[N]3=C(C=C(O1)c1ccccc1)C)C)c1ccccc1
• Title of publication: Refinement of the crystal structure of N,N'-ethylene-bis(benzoylacetoniminato) copper(II), Cu(C~22~H~22~N~2~O~2~), at 110 K
• Authors of publication: Dehghanpour, S.; Mojahed, F.; Farzaneh, F.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 587 - 588
• a: 10.9246 ± 0.0012 Å
• b: 7.7412 ± 0.0008 Å
• c: 21.788 ± 0.002 Å
• α: 90°
• β: 96.572 ± 0.002°
• γ: 90°
• Cell volume: 1830.5 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No