Information card for entry 1512405

Structure parameters

• Formula: C38 H30 Cu2 N4 O13 S
• Calculated formula: C38 H30 Cu2 N4 O13 S
• SMILES: [Cu]123[O]([Cu]45(Oc6c(C=[N]5[C@@H](c5[n]4cccc5)c4ccccc4)cccc6)OS(=O)(=O)O1)c1c(C=[N]3[C@@H](c3[n]2cccc3)c2ccccc2)cccc1.O.O.O.O.O.O.O.[Cu]123[O]([Cu]45(Oc6c(C=[N]5[C@H](c5[n]4cccc5)c4ccccc4)cccc6)OS(=O)(=O)O1)c1c(C=[N]3[C@H](c3[n]2cccc3)c2ccccc2)cccc1.O.O.O.O.O.O.O
• 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: 10.8903 ± 0.0008 Å
• b: 13.05 ± 0.0009 Å
• c: 16.1451 ± 0.0011 Å
• α: 69.523 ± 0.004°
• β: 70.652 ± 0.004°
• γ: 86.379 ± 0.004°
• Cell volume: 2024.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No