Information card for entry 2202913

Structure parameters

• Chemical name: (1-Methylimidazole)(N-salicylidene-rac-glutamato)copper(II)
• Formula: C16 H17 Cu N3 O5
• Calculated formula: C16 H17 Cu N3 O5
• SMILES: [Cu]12(Oc3c(C=[N]2C(CCC(=O)O)C(=O)O1)cccc3)[n]1cc[n](c1)C
• Title of publication: (1-Methylimidazole)(<i>N</i>-salicylidene-<i>rac</i>-glutamato)copper(II)
• Authors of publication: Vratislav Langer; Eva Scholtzová; Dalma Gyepesová; Mária Kohútová; Aladár Valent
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1181 - m1183
• a: 7.9294 ± 0.0001 Å
• b: 11.3305 ± 0.0001 Å
• c: 18.5387 ± 0.0001 Å
• α: 90°
• β: 98.707 ± 0.001°
• γ: 90°
• Cell volume: 1646.4 ± 0.03 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0611
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes