Information card for entry 7212241

Structure parameters

• Formula: C24 H28 Cu N2 O4
• Calculated formula: C24 H28 Cu N2 O4
• SMILES: CCOc1c2c(C=[N]3[Cu]4(O2)[N](=Cc2cccc(c2O4)OCC)[C@H]2[C@H]3CCCC2)ccc1
• Title of publication: Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?
• Authors of publication: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1764
• a: 15.3209 ± 0.0004 Å
• b: 20.8764 ± 0.0004 Å
• c: 6.7682 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2164.78 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.0231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No