Information card for entry 7054246

Structure parameters

• Formula: C14 H15 Cl Cu N2 O6
• Calculated formula: C14 H15 Cl Cu N2 O6
• SMILES: [Cu]12(Oc3c(C=[N]2C(c2[n]1cccc2)C)cccc3)[OH2].Cl(=O)(=O)(=O)[O-]
• 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: 23.672 ± 0.002 Å
• b: 8.6741 ± 0.0007 Å
• c: 27.466 ± 0.003 Å
• α: 90°
• β: 139.368 ± 0.005°
• γ: 90°
• Cell volume: 3672.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No