Information card for entry 7004193

Structure parameters

• Formula: C22 H18 Cu2 K N2 Na O22
• Calculated formula: C22 H18 Cu2 K N2 Na O22
• SMILES: C1(=O)C[N]23[Cu]4(OC(=[O])C2)([O]2c5c(cc([O-])cc5)C[N]65[Cu]2(OC(=O)C5)(OC(=O)C6)[O]4c2ccc(cc2C3)[O-])O1.O.O.O.[Na+].[K+].O.O.O.O.O.O.O
• 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: 8.7363 ± 0.0006 Å
• b: 15.9304 ± 0.0012 Å
• c: 22.977 ± 0.003 Å
• α: 90°
• β: 101.122 ± 0.008°
• γ: 90°
• Cell volume: 3137.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.1118
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No