Information card for entry 7028716

Structure parameters

• Formula: C14 H22 Cu F3 N3 O6 S2
• Calculated formula: C14 H20 Cu F3 N3 O6 S2
• SMILES: [Cu]12([S]3CCC[N]2(CCC3)CCc2[n]1cccc2)(ON=O)OS(=O)(=O)C(F)(F)F.O
• 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: 7.6907 ± 0.0004 Å
• b: 8.741 ± 0.0005 Å
• c: 15.2512 ± 0.0007 Å
• α: 84.088 ± 0.0013°
• β: 78.235 ± 0.0013°
• γ: 74.662 ± 0.0013°
• Cell volume: 966.66 ± 0.09 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No