Information card for entry 1512404

Structure parameters

• Formula: C40 H38 Cl2 Cu2 N4 O4
• Calculated formula: C40 H38 Cl2 Cu2 N4 O4
• SMILES: c1[n]2c(ccc1)C(c1ccccc1)[N]1[Cu]2(Oc2c(C=1)cccc2)Cl.OC
• Title of publication: Diastereoselectivity in dinuclear complexes of chiral tridentate ligands
• Authors of publication: Himanshu Sekhar Jena; Vadivelu Manivannan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 390
• Pages of publication: 154 - 162
• a: 9.0248 ± 0.0005 Å
• b: 12.1801 ± 0.0006 Å
• c: 16.9307 ± 0.0009 Å
• α: 90°
• β: 101.676 ± 0.003°
• γ: 90°
• Cell volume: 1822.56 ± 0.17 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No