Information card for entry 4307709

Structure parameters

• Formula: C28 H33 Cu F6 N3 O2 Sb
• Calculated formula: C28 H33 Cu F6 N3 O2 Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Cu]12([NH](C3CC([NH]1Cc1ccccc1)CC([NH]2Cc1ccccc1)C3)Cc1ccccc1)C#[O].O
• 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: 16.97 ± 0.03 Å
• b: 19.83 ± 0.02 Å
• c: 19.62 ± 0.04 Å
• α: 90 ± 0.015°
• β: 107.925 ± 0.017°
• γ: 90 ± 0.015°
• Cell volume: 6282 ± 18 ų
• Cell temperature: 103.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No