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Information card for entry 7002622
Preview
Coordinates | 7002622.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H12 Cl2 Cu N6 O |
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Calculated formula | C11 H12 Cl2 Cu N6 O |
SMILES | C12(CO)n3ccc[n]3[Cu]([n]3cccn13)([n]1cccn21)(Cl)Cl |
Title of publication | CuII complexes bearing the 2,2,2-tris(1-pyrazolyl)ethanol or 2,2,2-tris(1-pyrazolyl)ethyl methanesulfonate scorpionates. X-Ray structural characterization and application in the mild catalytic peroxidative oxidation of cyclohexane |
Authors of publication | Silva, Telma F. S.; Mishra, Gopal S.; Guedes da Silva, M. Fátima; Wanke, Riccardo; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 42 |
Pages of publication | 9207 - 9215 |
a | 14.902 ± 0.005 Å |
b | 13.026 ± 0.005 Å |
c | 16.7628 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3253.9 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0627 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/7002622.html
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