Information card for entry 4309725

Structure parameters

• Chemical name: (N,N,N',N'-tetramethyl-(1R,2R)-trans-cyclohexanediamine-1κ^2^N,N') (N,N,N',N'-tetramethyl-(1S,2S)-trans-cyclohexanediamine-2κ^2^N,N') (bis(μ-hydroxo-1:2κ^2^O))dicopper(II) bis(trifluoromethanesulfonate)
• Formula: C22 H46 Cu2 F6 N4 O8 S2
• Calculated formula: C22 H46 Cu2 F6 N4 O8 S2
• SMILES: [C@H]12[C@@H](CCCC1)[N]([Cu]1([N]2(C)C)[OH][Cu]2([N]([C@@H]3[C@H](CCCC3)[N]2(C)C)(C)C)[OH]1)(C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[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: 8.35 ± 0.01 Å
• b: 15.53 ± 0.01 Å
• c: 26.16 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3392 ± 5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No