Information card for entry 4309724

Structure parameters

• Chemical name: di-μ-hydroxo-bis((N,N,N',N'-tetramethyl-(1R,2R)-trans- cyclohexanediamine-κ^2^N,N')copper(II)) bis(trifluoromethanesulfonate)
• Formula: C22 H46 Cu2 F6 N4 O8 S2
• Calculated formula: C22 H46 Cu2 F6 N4 O8 S2
• SMILES: [Cu]12([OH][Cu]3([OH]1)[N]([C@H]1[C@H]([N]3(C)C)CCCC1)(C)C)[N]([C@H]1[C@H]([N]2(C)C)CCCC1)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity
• Authors of publication: Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7345 - 7364
• a: 13.77 ± 0.002 Å
• b: 8.508 ± 0.001 Å
• c: 15.258 ± 0.001 Å
• α: 90°
• β: 108.212 ± 0.008°
• γ: 90°
• Cell volume: 1698 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No