Information card for entry 4309722

Structure parameters

• Chemical name: {[bis(N,N,N',N'-tetramethyl-(1R,2R)-trans-cyclohexanediamine- κ^2^N,N')copper(I)][bis(N,N,N',N'-tetramethyl-(1S,2S)-trans- cyclohexanediamine-κ^2^N,N')copper(I)]} bis(trifluoromethanesulfonate)
• Formula: C21 H44 Cu F3 N4 O3 S
• Calculated formula: C21 H44 Cu F3 N4 O3 S
• SMILES: [Cu]12([N]([C@H]3CCCC[C@@H]3[N]1(C)C)(C)C)[N]([C@H]1CCCC[C@@H]1[N]2(C)C)(C)C.[Cu]12([N]([C@@H]3CCCC[C@H]3[N]1(C)C)(C)C)[N]([C@@H]1CCCC[C@H]1[N]2(C)C)(C)C.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-]
• 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: 14.5032 ± 0.0003 Å
• b: 14.5032 ± 0.0003 Å
• c: 25.2982 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5321.3 ± 0.3 ų
• Cell temperature: 176 ± 2 K
• Ambient diffraction temperature: 176 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No