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Information card for entry 7222439
Preview
| Coordinates | 7222439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H29 Au Cl2 N2 O3 |
|---|---|
| Calculated formula | C33 H29 Au Cl2 N2 O3 |
| SMILES | [Au]12(c3c(c4[n]1c(ccc4)c1c2cccc1)cccc3)C#Cc1ccc(C(=O)N[C@H](C(C)C)C(=O)OC)cc1.ClCCl |
| Title of publication | Synthesis, characterization and spectroscopic studies of luminescentl-valine modified alkynyl-based cyclometalated gold(iii) complexes with gelation properties driven by π‒π stacking, hydrogen bonding and hydrophobic‒hydrophobic interactions |
| Authors of publication | Siu, Steven Kin-Lok; Po, Charlotte; Yim, King-Chin; Au, Vonika Ka-Man; Yam, Vivian Wing-Wah |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 42 |
| Pages of publication | 8153 |
| a | 4.92 ± 0.001 Å |
| b | 15.711 ± 0.003 Å |
| c | 18.775 ± 0.004 Å |
| α | 90° |
| β | 92.98 ± 0.03° |
| γ | 90° |
| Cell volume | 1449.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0503 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.85 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222439.cif |
| 171097 | 2015-12-09 | cif/ Updating files of 7222439 Original log message: Adding full bibliography for 7222439.cif. |
7222439.cif |
| 160418 | 2015-10-06 | cif/ Adding structures of 7222439 via cif-deposit CGI script. |
7222439.cif |
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Users of the data should acknowledge the original authors of the
structural data.