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Information card for entry 1540456
Preview
| Coordinates | 1540456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Fc2-NHC)2Au][I] |
|---|---|
| Formula | C50 H48 Au Fe4 I N4 |
| Calculated formula | C50 H48 Au Fe4 I N4 |
| SMILES | [Au](=C1N(C=CN1C[c]12[cH]3[Fe]4567891([cH]2[cH]7[cH]38)[cH]1[cH]4[cH]5[cH]6[cH]91)C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)=C1N(C=CN1C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61.[I-] |
| Title of publication | Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells. |
| Authors of publication | Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K. |
| Journal of publication | Chemical science (Royal Society of Chemistry : 2010) |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 2 |
| Pages of publication | 1245 - 1256 |
| a | 12.3866 ± 0.00231 Å |
| b | 12.62423 ± 0.00237 Å |
| c | 15.23356 ± 0.00286 Å |
| α | 90.566 ± 0.0045° |
| β | 98.3173 ± 0.004° |
| γ | 114.321 ± 0.004° |
| Cell volume | 2141.5 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0724 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.1832 |
| Weighted residual factors for all reflections included in the refinement | 0.1903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177711 (current) | 2016-03-05 | cif/ Updating files of 1540455, 1540456 Original log message: Adding full bibliography for 1540455--1540456.cif. |
1540456.cif |
| 175910 | 2016-02-04 | cif/ Updating files of 1540455, 1540456 Original log message: Adding full bibliography for 1540455--1540456.cif. |
1540456.cif |
| 169850 | 2015-10-29 | cif/ Adding structures of 1540455, 1540456 via cif-deposit CGI script. |
1540456.cif |
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Users of the data should acknowledge the original authors of the
structural data.