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Information card for entry 7031841
Preview
Coordinates | 7031841.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H16 Cu3 I3 N10 |
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Calculated formula | C22 H16 Cu3 I3 N10 |
SMILES | [I]1[Cu](I)[I][Cu]234n5ccc6c7cccc8[n]7[Cu]1(n1ccc(c7cccc([n]37)n3ccc[n]43)[n]21)([n]56)[n]1n8ccc1 |
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 | 16.17 ± 0.005 Å |
b | 10.516 ± 0.003 Å |
c | 16.232 ± 0.005 Å |
α | 90° |
β | 108.588 ± 0.008° |
γ | 90° |
Cell volume | 2616.2 ± 1.4 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0408 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.082 |
Weighted residual factors for all reflections included in the refinement | 0.0863 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 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/7031841.html
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