Information card for entry 7054248

Structure parameters

• Formula: C30 H26 Cu2 N6 O2 S2
• Calculated formula: C30 H26 Cu2 N6 O2 S2
• SMILES: [C@H]1(C)[N]2=Cc3ccccc3[O]3[Cu]2([n]2ccccc12)(N=C=S)[O]1c2c(C=[N]4[Cu]31([n]1ccccc1[C@@H]4C)N=C=S)cccc2
• 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: 7.539 ± 0.0004 Å
• b: 18.0643 ± 0.0009 Å
• c: 11.6901 ± 0.0006 Å
• α: 90°
• β: 109.23 ± 0.003°
• γ: 90°
• Cell volume: 1503.21 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1618
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No