Information card for entry 7004190

Structure parameters

• Formula: C16 H18 Cu2 N2 Na4 O14
• Calculated formula: C16 H18 Cu2 N2 Na4 O14
• SMILES: C1(=O)O[Cu]23([OH2])[N](Cc4c(cc(c(c4)O4)C[N]56CC(=O)O[Cu]54([OH2])OC(=O)C6)O3)(CC(=O)O2)C1.O.[Na+].[Na+].O.[Na+].[Na+]
• 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: 10.2884 ± 0.0009 Å
• b: 10.9093 ± 0.0009 Å
• c: 11.6971 ± 0.001 Å
• α: 107.32 ± 0.008°
• β: 93.564 ± 0.007°
• γ: 95.379 ± 0.007°
• Cell volume: 1242.21 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No