Information card for entry 7228170

Structure parameters

• Common name: Cu(B-Et)2
• Formula: C24 H28 Cu N2 O2
• Calculated formula: C24 H28 Cu N2 O2
• SMILES: [Cu]12([N](=C(C=C(O1)c1ccccc1)C)CC)[N](=C(C=C(O2)c1ccccc1)C)CC
• Title of publication: Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes
• Authors of publication: Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 12.813 ± 0.002 Å
• b: 7.2285 ± 0.0013 Å
• c: 23.157 ± 0.004 Å
• α: 90°
• β: 90.407 ± 0.002°
• γ: 90°
• Cell volume: 2144.7 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No