Information card for entry 7028717

Structure parameters

• Formula: C15 H20 Cu F6 N2 O6 S3
• Calculated formula: C15 H20 Cu F6 N2 O6 S3
• SMILES: [Cu]12([S]3CCC[N]2(CCC3)CCc2[n]1cccc2)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: A copper complex supported by an N2S-tridentate ligand inducing efficient heterolytic O-O bond cleavage of alkylhydroperoxide.
• Authors of publication: Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Ogura, Takashi; Itoh, Shinobu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4871 - 4877
• a: 7.1716 ± 0.0012 Å
• b: 20.845 ± 0.004 Å
• c: 15.117 ± 0.003 Å
• α: 90°
• β: 103.769 ± 0.004°
• γ: 90°
• Cell volume: 2194.9 ± 0.7 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No