Information card for entry 7216194

Structure parameters

• Formula: C38 H40 Cl4 Cu2 N6 O7
• Calculated formula: C38 H40 Cl4 Cu2 N6 O7
• SMILES: [Cu]12(Cl)(OC(=O)C([NH2]1)Cc1ccc(Cl)cc1)[n]1c(cccc1)c1[n]2cccc1.[Cu]12(OC(=O)C([NH2]1)Cc1ccc(Cl)cc1)([n]1c(c3[n]2cccc3)cccc1)[OH2].[Cl-].O.O
• Title of publication: A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines
• Authors of publication: Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 102
• Pages of publication: 627 - 632
• a: 11.766 ± 0.003 Å
• b: 24.48 ± 0.005 Å
• c: 14.315 ± 0.004 Å
• α: 90°
• β: 100.78 ± 0.03°
• γ: 90°
• Cell volume: 4050.4 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No