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Information card for entry 7708900
Preview
| Coordinates | 7708900.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H74 Cl4 Cu F5 N2 O2 |
|---|---|
| Calculated formula | C84 H74 Cl4 Cu F5 N2 O2 |
| SMILES | [Cu](OC(=O)c1c(F)c(F)c(F)c(F)c1F)=C1N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.ClCCl.ClCCl.CCCCCC |
| Title of publication | Straightforward synthesis of [Cu(NHC)(alkynyl)] and [Cu(NHC)(thiolato)] complexes (NHC = N-heterocyclic carbene). |
| Authors of publication | Ibni Hashim, Ishfaq; Scattolin, Thomas; Tzouras, Nikolaos V.; Bourda, Laurens; Van Hecke, Kristof; Ritacco, Ida; Caporaso, Lucia; Cavallo, Luigi; Nolan, Steven P.; Cazin, Catherine S. J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 51 |
| Journal issue | 1 |
| Pages of publication | 231 - 240 |
| a | 16.1936 ± 0.0002 Å |
| b | 24.2823 ± 0.0002 Å |
| c | 18.3609 ± 0.0002 Å |
| α | 90° |
| β | 92.918 ± 0.001° |
| γ | 90° |
| Cell volume | 7210.47 ± 0.13 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.1011 |
| Residual factor for significantly intense reflections | 0.0724 |
| Weighted residual factors for significantly intense reflections | 0.1948 |
| Weighted residual factors for all reflections included in the refinement | 0.2181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272660 (current) | 2022-02-04 | cif/ Updating files of 7708897, 7708898, 7708899, 7708900, 7708901, 7708902, 7708903, 7708904 Original log message: Adding full bibliography for 7708897--7708904.cif. |
7708900.cif |
| 270818 | 2021-11-23 | cif/ Adding structures of 7708897, 7708898, 7708899, 7708900, 7708901, 7708902, 7708903, 7708904 via cif-deposit CGI script. |
7708900.cif |
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