Information card for entry 4307710

Structure parameters

• Formula: C13 H28 Cu F3 N3 O4 S
• Calculated formula: C13 H28 Cu F3 N3 O4 S
• Title of publication: Syntheses, Characterization, and Dioxygen Reactivities of Cu(I) Complexes with cis,cis-1,3,5-Triaminocyclohexane Derivatives: A Cu(III)2O2Intermediate Exhibiting Higher C‒H Activation
• Authors of publication: Kajita, Yuji; Arii, Hidekazu; Saito, Takahiro; Saito, Yamato; Nagatomo, Shigenori; Kitagawa, Teizo; Funahashi, Yasuhiro; Ozawa, Tomohiro; Masuda, Hideki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 3322 - 3335
• a: 9.595 ± 0.002 Å
• b: 9.768 ± 0.002 Å
• c: 12.384 ± 0.003 Å
• α: 97.665 ± 0.0013°
• β: 109.349 ± 0.0015°
• γ: 113.483 ± 0.0015°
• Cell volume: 956 ± 0.4 ų
• Cell temperature: 173.1 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: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No