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Information card for entry 7031839
Preview
Coordinates | 7031839.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 Cu2 N10 O6 S |
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Calculated formula | C24 H24 Cu2 N10 O6 S |
Title of publication | Syntheses and structures of copper complexes of 3-(6-(1H-pyrazol-1-yl)pyridin-2-yl)pyrazol-1-ide and their excellent performance in the syntheses of nitriles and aldehydes. |
Authors of publication | Tan, Da-Wei; Xie, Jing-Bo; Li, Qi; Li, Hong-Xi; Li, Jun-Chi; Li, Hai-Yan; Lang, Jian-Ping |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 37 |
Pages of publication | 14061 - 14071 |
a | 10.6914 ± 0.0003 Å |
b | 16.1312 ± 0.0003 Å |
c | 15.999 ± 0.0003 Å |
α | 90° |
β | 103.456 ± 0.002° |
γ | 90° |
Cell volume | 2683.52 ± 0.11 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0466 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0986 |
Weighted residual factors for all reflections included in the refinement | 0.1058 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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