Information card for entry 2219335

Structure parameters

• Chemical name: Bis{μ-5-(diethylamino)-2-[(2-oxidoethoxy)iminomethyl]phenolato}dicopper(II) acetone solvate
• Formula: C29 H42 Cu2 N4 O7
• Calculated formula: C29 H42 Cu2 N4 O7
• SMILES: [Cu]123[N](OCC[O]1[Cu]14Oc5c(C=[N]1OCC[O]24)ccc(N(CC)CC)c5)=Cc1c(O3)cc(N(CC)CC)cc1.O=C(C)C
• Title of publication: Bis{μ-5-(diethylamino)-2-[(2-oxidoethoxy)iminomethyl]phenolato}dicopper(II) acetone solvate
• Authors of publication: Dong, Wen-Kui; Chen, Xiao; He, Xue-Ni; Tang, Xiao-Lu; Lv, Zhong-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1133
• a: 20.633 ± 0.003 Å
• b: 11.6045 ± 0.0014 Å
• c: 13.0738 ± 0.0017 Å
• α: 90°
• β: 102.635 ± 0.002°
• γ: 90°
• Cell volume: 3054.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1296
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes