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Information card for entry 2019848
Preview
| Coordinates | 2019848.cif |
|---|---|
| Structure factors | 2019848.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | [1-(2,6-Diisopropylphenyl)-2,4-bis(dimethylamino)-5-trimethylsilyl-1,3,5-triazapentadienyl-κ^2^<i>N</i>^1^,<i>N</i>^5^](triphenylphosphane-κ<i>P</i>)copper(I) |
|---|---|
| Formula | C39 H53 Cu N5 P Si |
| Calculated formula | C39 H53 Cu N5 P Si |
| SMILES | [Cu]1([N](c2c(cccc2C(C)C)C(C)C)=C(N=C(N1[Si](C)(C)C)N(C)C)N(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of [1-(2,6-diisopropylphenyl)-2,4-bis(dimethylamino)-5-trimethylsilyl-1,3,5-triazapentadienyl-κ2N1,N5](triphenylphosphane-κP)copper(I) |
| Authors of publication | Li, Feiguang; Yan, Lei; Tong, Hongbo; Zhou, Meisu |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | m54 |
| a | 9.7935 ± 0.0016 Å |
| b | 11.2141 ± 0.0018 Å |
| c | 19.57 ± 0.003 Å |
| α | 103.601 ± 0.004° |
| β | 90.867 ± 0.003° |
| γ | 108.24 ± 0.004° |
| Cell volume | 1974.9 ± 0.5 Å3 |
| Cell temperature | 195 ± 2 K |
| Ambient diffraction temperature | 195 ± 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 | 0.1189 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.749 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019848.cif 2019848.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019848.cif 2019848.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019848.cif 2019848.hkl |
| 131556 | 2015-02-08 | cif/ hkl/ Adding structures of 2019848 via cif-deposit CGI script. |
2019848.cif 2019848.hkl |
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