Information card for entry 7001515

Structure parameters

• Formula: C17 H22 Cu N4 O10
• Calculated formula: C17 H16 Cu N4 O10
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14(OC(=O)[C@H](CCC(=O)O)[NH2]1)[OH2].O.O.N(=O)(=O)[O-]
• Title of publication: Copper(II) complexes of mono-anionic glutamate: anionic influence in the variations of molecular and supramolecular structures
• Authors of publication: Biswas, Chaitali; Drew, Michael G. B.; Estrader, Marta; Ghosh, Ashutosh
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 25
• Pages of publication: 5015 - 5022
• a: 7.065 ± 0.0015 Å
• b: 11.775 ± 0.003 Å
• c: 12.662 ± 0.004 Å
• α: 75.809 ± 0.002°
• β: 87.723 ± 0.002°
• γ: 75.301 ± 0.002°
• Cell volume: 987.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No