Information card for entry 2213930

Structure parameters

• Chemical name: cis-[N-(4-Chlorobenzyl)iminodiacetato-κ^3^N,O,O']bis(1H-imidazole- κN^3^)copper(II)
• Formula: C17 H18 Cl Cu N5 O4
• Calculated formula: C17 H18 Cl Cu N5 O4
• SMILES: [Cu]12([N](CC(=O)O1)(CC(=O)O2)Cc1ccc(Cl)cc1)([n]1c[nH]cc1)[n]1c[nH]cc1
• Title of publication: <i>cis</i>-[<i>N</i>-(4-Chlorobenzyl)iminodiacetato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>']bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)
• Authors of publication: Brandi-Blanco, María Pilar; Benavides-Giménez, María Magdalena de; González-Pérez, Josefa María; Choquesillo-Lazarte, Duane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1678 - m1679
• a: 10.2028 ± 0.0005 Å
• b: 13.428 ± 0.0006 Å
• c: 13.9113 ± 0.0007 Å
• α: 90°
• β: 97.119 ± 0.001°
• γ: 90°
• Cell volume: 1891.2 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes