Information card for entry 7200545

Structure parameters

• Formula: C24 H30 Cu N2 O5
• Calculated formula: C24 H30 Cu N2 O5
• SMILES: [Cu]123[N](=Cc4c(c(ccc4)OCC)O2)[C@@H]2CCCC[C@H]2[N]1=Cc1cccc(c1O3)OCC.O
• Title of publication: Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions
• Authors of publication: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 657 - 662
• a: 8.8855 ± 0.0004 Å
• b: 10.8153 ± 0.0004 Å
• c: 13.0636 ± 0.0005 Å
• α: 97.313 ± 0.002°
• β: 109.121 ± 0.002°
• γ: 107.198 ± 0.002°
• Cell volume: 1097.61 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.0317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No