Information card for entry 7004882

Structure parameters

• Formula: C21 H22 Cl Cu N5 O9
• Calculated formula: C21 H20 Cl Cu N5 O9
• SMILES: [Cu]12([n]3c(c4[n]1ccc(C(=O)N)c4)cc(C(=O)N)cc3)OC(=O)[C@@H]([NH2]2)Cc1ccccc1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Pi-pi stacking assisted binding of aromatic amino acids by copper(II)-aromatic diimine complexes. Effects of ring substituents on ternary complex stability.
• Authors of publication: Yajima, Tatsuo; Takamido, Reiko; Shimazaki, Yuichi; Odani, Akira; Nakabayashi, Yasuo; Yamauchi, Osamu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 3
• Pages of publication: 299 - 307
• a: 9.9415 ± 0.0008 Å
• b: 11.9758 ± 0.0007 Å
• c: 10.0268 ± 0.0008 Å
• α: 90°
• β: 94.766 ± 0.007°
• γ: 90°
• Cell volume: 1189.64 ± 0.15 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No