Information card for entry 1512406

Structure parameters

• Formula: C29 H30 Cu2 N4 O9 S
• Calculated formula: C29 H30 Cu2 N4 O9 S
• SMILES: [Cu]123(Oc4c(C=[N]3[C@H](c3[n]2cccc3)C)cccc4)[O]2[Cu]3(OS(=O)(=O)O1)[n]1ccccc1[C@@H]([N]3=Cc1ccccc21)C.O.O.OC.[Cu]123(Oc4c(C=[N]3[C@@H](c3[n]2cccc3)C)cccc4)[O]2[Cu]3(OS(=O)(=O)O1)[n]1ccccc1[C@H]([N]3=Cc1ccccc21)C.O.O.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: 9.7891 ± 0.0015 Å
• b: 13.069 ± 0.002 Å
• c: 13.39 ± 0.002 Å
• α: 109.986 ± 0.011°
• β: 104.239 ± 0.012°
• γ: 91.103 ± 0.011°
• Cell volume: 1550.3 ± 0.4 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: 0.1914
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No