Information card for entry 4307712

Structure parameters

• Formula: C28 H34 Cl Cu N3 O6
• Calculated formula: C28 H34 Cl Cu N3 O6
• 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: 14.411 ± 0.007 Å
• b: 10.865 ± 0.007 Å
• c: 17.783 ± 0.009 Å
• α: 90 ± 0.006°
• β: 91.904 ± 0.006°
• γ: 90 ± 0.006°
• Cell volume: 2783 ± 3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No