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Information card for entry 1549936
Preview
| Coordinates | 1549936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H26 Cu F18 N8 O P3 |
|---|---|
| Calculated formula | C20 H26 Cu F18.008 N8 O1.002 P3.002 |
| Title of publication | A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate. |
| Authors of publication | Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 43 |
| Pages of publication | 8307 - 8314 |
| a | 22.923 ± 0.002 Å |
| b | 11.8528 ± 0.0011 Å |
| c | 15.482 ± 0.003 Å |
| α | 90° |
| β | 127.476 ± 0.002° |
| γ | 90° |
| Cell volume | 3338.3 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0894 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1435 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228684 (current) | 2019-11-17 | cif/ Updating files of 1549936, 1549937, 1549938, 1549939 Original log message: Adding full bibliography for 1549936--1549939.cif. |
1549936.cif |
| 211179 | 2018-09-26 | cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces. |
1549936.cif |
| 210961 | 2018-09-15 | cif/ Adding structures of 1549936, 1549937, 1549938, 1549939 via cif-deposit CGI script. |
1549936.cif |
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Users of the data should acknowledge the original authors of the
structural data.