Information card for entry 7054249

Structure parameters

• Formula: C15 H13 Cu N3 O2
• Calculated formula: C15 H13 Cu N3 O2
• SMILES: [Cu]12([N](C(c3cccc[n]13)C)=Cc1c(O2)cccc1)N=C=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: 7.9869 ± 0.0004 Å
• b: 16.1585 ± 0.0007 Å
• c: 10.9541 ± 0.0005 Å
• α: 90°
• β: 99.58 ± 0.002°
• γ: 90°
• Cell volume: 1393.98 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No