Information card for entry 7212238

Structure parameters

• Formula: C26 H36 Cl Cu N2 Na O10
• Calculated formula: C26 H36 Cl Cu N2 Na O10
• SMILES: [Cu]123[O]4[Na]56([O](CC)c7c4c(C=[N]1[C@@H]1CCCC[C@H]1[N]2=Cc1c(c([O]5CC)ccc1)[O]36)ccc7)(OCl(=O)(=O)=O)[OH]C.OC
• 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: 8.2295 ± 0.0016 Å
• b: 12.197 ± 0.002 Å
• c: 14.914 ± 0.003 Å
• α: 95.73 ± 0.03°
• β: 103.29 ± 0.03°
• γ: 91.14 ± 0.03°
• Cell volume: 1448.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No