Information card for entry 7054245

Structure parameters

• Formula: C28 H26 Cu2 N6 O8
• Calculated formula: C28 H26 Cu2 N6 O8
• SMILES: c12C=[N]3[Cu]4([O](c2cccc1)[Cu]12([O]4c4c(C=[N]2[C@@H](c2cccc[n]12)C)cccc4)ON(=O)=O)(ON(=O)=O)[n]1ccccc1[C@@H]3C
• Title of publication: Effect of non-covalent interaction on the diastereoselective self-assembly of Cu(ii) complexes containing a racemic Schiff base in a chiral self-discriminating process
• Authors of publication: Jena, Himanshu Sekhar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 6
• Pages of publication: 2486
• a: 8.2841 ± 0.0004 Å
• b: 8.9822 ± 0.0004 Å
• c: 9.6248 ± 0.0004 Å
• α: 86.725 ± 0.003°
• β: 82.846 ± 0.002°
• γ: 81.578 ± 0.002°
• Cell volume: 702.39 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0131
• Residual factor for significantly intense reflections: 0.013
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No