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Information card for entry 7708899
Preview
| Coordinates | 7708899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H69 Cu N2 |
|---|---|
| Calculated formula | C81 H69 Cu N2 |
| SMILES | [Cu](C#Cc1ccc(cc1)C(C)(C)C)=C1N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1 |
| 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 | 26.9882 ± 0.0003 Å |
| b | 11.02969 ± 0.00012 Å |
| c | 41.6797 ± 0.0004 Å |
| α | 90° |
| β | 98.8594 ± 0.0011° |
| γ | 90° |
| Cell volume | 12258.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0471 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1024 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
7708899.cif |
| 270818 | 2021-11-23 | cif/ Adding structures of 7708897, 7708898, 7708899, 7708900, 7708901, 7708902, 7708903, 7708904 via cif-deposit CGI script. |
7708899.cif |
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