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Information card for entry 4309726
Preview
Coordinates | 4309726.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | di-μ-oxo-bis(N,N'-diethyl-N,N'-dimethyl-(1R,2R)-trans-cyclohexanediamine- κ^2^N,N')copper(III) bis(trifluoromethanesulfonate) dichloromethane solvate |
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Formula | C30 H60 Cl8 Cu2 F6 N4 O8 S2 |
Calculated formula | C30 H60 Cl8 Cu2 F6 N4 O8 S2 |
SMILES | [Cu]123([Cu]4(O1)(O2)[N]([C@@H]1CCCC[C@H]1[N]4(C)CC)(C)CC)[N]([C@H]1[C@H]([N]3(C)CC)CCCC1)(C)CC.ClCCl.ClCCl.ClCCl.ClCCl.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 | 12.1336 ± 0.0002 Å |
b | 11.9387 ± 0.0003 Å |
c | 18.4717 ± 0.0003 Å |
α | 90° |
β | 108.387 ± 0.001° |
γ | 90° |
Cell volume | 2539.19 ± 0.09 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0653 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1211 |
Weighted residual factors for all reflections included in the refinement | 0.1287 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4309726.html
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