Information card for entry 7026389

Structure parameters

• Formula: C32 H44 Cu N4 O8 S
• Calculated formula: C32 H44 Cu N4 O8 S
• SMILES: [Cu]12(OS(=O)(=O)[O-])([n]3ccccc3C=[N]1[C@@H](c1ccccc1)C)[n]1ccccc1C=[N]2[C@@H](c1ccccc1)C.CO.CO.CO.CO
• Title of publication: Synthesis and characterization of enantiopure copper(II) complexes using chiral bidentate ligands.
• Authors of publication: Min, Kil Sik; Park, A. Hyun; Shin, Jong Won; Rowthu, Sankara Rao; Kim, Seog K.; Ryoo, Jae Jeong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8741 - 8747
• a: 9.3705 ± 0.0005 Å
• b: 20.1465 ± 0.0011 Å
• c: 9.7391 ± 0.0005 Å
• α: 90°
• β: 106.979 ± 0.001°
• γ: 90°
• Cell volume: 1758.43 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No