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Information card for entry 4309727
Preview
Coordinates | 4309727.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (acetonitrile-κN)(N,N,N',N'-tetraethyl-(1R,2R)-trans-cyclohexanediamine- κ^2^N,N')copper(I) trifluoromethanesulfonate |
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Formula | C17 H33 Cu F3 N3 O3 S |
Calculated formula | C17 H33 Cu F3 N3 O3 S |
SMILES | [Cu]1([N]#CC)[N]([C@H]2[C@H]([N]1(CC)CC)CCCC2)(CC)CC.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 | 10.1266 ± 0.001 Å |
b | 8.2904 ± 0.001 Å |
c | 13.9796 ± 0.001 Å |
α | 90° |
β | 105.516 ± 0.01° |
γ | 90° |
Cell volume | 1130.9 ± 0.2 Å3 |
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 | 0.0544 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.1086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4309727.html
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