Information card for entry 7038394

Structure parameters

• Formula: C22 H32 Cu N2 O12
• Calculated formula: C22 H32 Cu N2 O12
• SMILES: C1C(=O)O[Cu]234([O]=C(O)C[N]12Cc1ccccc1)[N](CC(=O)O4)(CC(O)=[O]3)Cc1ccccc1.O.O.O.O
• Title of publication: Mononuclear and polynuclear complexes ligated by an iminodiacetic acid derivative: synthesis, structure, solution studies and magnetic properties.
• Authors of publication: Puentes, Roberto; Torres, Julia; Kremer, Carlos; Cano, Joan; Lloret, Francesc; Capucci, Davide; Bacchi, Alessia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5356 - 5373
• a: 6.699 ± 0.004 Å
• b: 19.681 ± 0.012 Å
• c: 22.622 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2983 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P n a a
• Hall space group symbol: -P 2ac 2bc
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No