Information card for entry 7019110

Structure parameters

• Formula: C18 H20 Cu N4 O2
• Calculated formula: C18 H20 Cu N4 O2
• SMILES: [Cu]123N(C(=O)[C@@H]([NH2]1)c1ccccc1)CCN2C(=O)[C@@H]([NH2]3)c1ccccc1
• Title of publication: Copper(ii) complexes of bis(amino amide) ligands: effect of changes in the amino acid residue.
• Authors of publication: Martí, Inés; Ferrer, Armando; Escorihuela, Jorge; Burguete, M. Isabel; Luis, Santiago V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6764 - 6776
• a: 10.4048 ± 0.0011 Å
• b: 11.3542 ± 0.0013 Å
• c: 14.9983 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1771.9 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No