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Information card for entry 1556707
Preview
| Coordinates | 1556707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 Cl4 Cu2 N8 O2 |
|---|---|
| Calculated formula | C14 H16 Cl4 Cu2 N8 O2 |
| SMILES | c1[n]2c(C(=[NH][Cu]32([Cl][Cu]2([n]4cn(C)c(C#N)c4C(=[NH]2)OC)([Cl]3)Cl)Cl)OC)c(C#N)n1C |
| Title of publication | Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis |
| Authors of publication | Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P. |
| Journal of publication | Inorganics |
| Year of publication | 2019 |
| Journal volume | 7 |
| Pages of publication | 87 |
| a | 7.1887 ± 0.0004 Å |
| b | 7.4368 ± 0.0005 Å |
| c | 10.5356 ± 0.0007 Å |
| α | 82.585 ± 0.003° |
| β | 89.776 ± 0.003° |
| γ | 84.799 ± 0.003° |
| Cell volume | 556.22 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0438 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245502 (current) | 2019-12-23 | cif/ Adding structures of 1556707 via cif-deposit CGI script. |
1556707.cif |
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Users of the data should acknowledge the original authors of the
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