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Information card for entry 7006583
Preview
Coordinates | 7006583.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H19 Cl Cu N5 O4 |
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Calculated formula | C19 H19 Cl Cu N5 O4 |
SMILES | [Cu]1([n]2ccccc2c2[n]1n(cc2)Cc1ccccc1)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-] |
Title of publication | Reaction with dioxygen of a Cu(I) complex of 1-benzyl-[3-(2'-pyridyl)]pyrazole triggers ethyl acetate hydrolysis: acetato-/pyrazolato-, dihydroxo- and diacetato-bridged Cu(II) complexes. |
Authors of publication | Mukherjee, Jhumpa; Mukherjee, Rabindranath |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 13 |
Pages of publication | 1611 - 1621 |
a | 10.823 ± 0.005 Å |
b | 10.882 ± 0.005 Å |
c | 11.29 ± 0.005 Å |
α | 117.244 ± 0.005° |
β | 90.425 ± 0.005° |
γ | 115.172 ± 0.005° |
Cell volume | 1035.6 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0354 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.0886 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
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/7006583.html
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