Information card for entry 4307706

Structure parameters

• Formula: C14 H30 Cu F6 N4 Sb
• Calculated formula: C14 H30 Cu F6 N4 Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Cu]12([NH](C3CC([NH]1CC)CC([NH]2CC)C3)CC)[N]#CC
• 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: 10.5097 ± 0.0011 Å
• b: 13.8322 ± 0.0013 Å
• c: 15.731 ± 0.002 Å
• α: 90°
• β: 108.772 ± 0.005°
• γ: 90°
• Cell volume: 2165.2 ± 0.4 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• 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: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No