Information card for entry 7004186

Structure parameters

• Formula: C12 H19 Cu N O11
• Calculated formula: C12 H15 Cu N O11
• SMILES: [Cu]12([OH2])(OC(=O)C[N]2(CC(=O)O1)Cc1cc(ccc1O)C(=O)O)[OH2].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: 11.0596 ± 0.0013 Å
• b: 10.4096 ± 0.0011 Å
• c: 14.4704 ± 0.0016 Å
• α: 90°
• β: 107.112 ± 0.01°
• γ: 90°
• Cell volume: 1592.2 ± 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No