Information card for entry 7004189

Structure parameters

• Formula: C40 H58 Cu N6 O14
• Calculated formula: C40 H52 Cu N6 O14
• SMILES: [N]12(Cc3c(ccc(c3)C(=O)O)O)CC(=O)O[Cu]341([N](Cc1c(ccc(c1)C(=O)O)O)(CC(=O)O3)CC(=O)O4)OC(=O)C2.N(CC)(CC)CC.N#CC.N(CC)(CC)CC.N#CC
• Title of publication: Synthesis, structure, magnetic properties and aqueous solution characterization of p-hydroquinone and phenol iminodiacetate copper(ii) complexes
• Authors of publication: Stylianou, Marios; Drouza, Chryssoula; Viskadourakis, Zacharias; Giapintzakis, John; Keramidas, Anastasios D.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6188 - 6204
• a: 11.1979 ± 0.0008 Å
• b: 18.324 ± 0.0012 Å
• c: 11.8085 ± 0.001 Å
• α: 90°
• β: 113.975 ± 0.007°
• γ: 90°
• Cell volume: 2213.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0565
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No