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Information card for entry 7041829
Preview
| Coordinates | 7041829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Au(L1e)(Hdamp)]Cl.H2O |
|---|---|
| Chemical name | (N-(N'',N''-diethylaminothiocarbonyl)-N'(N''',N'''-dipropylcarbothioamide)benzamidineto)(2-(dimethylamoniummethyl)phenyl-C1)gold(III) chloride |
| Formula | C28 H44 Au Cl N6 O S2 |
| Calculated formula | C28 H44 Au Cl N6 O S2 |
| SMILES | C1(=NC(=[N]2N=C(N(CCC)CCC)S[Au]2(c2ccccc2C[NH+](C)C)S1)c1ccccc1)N(CC)CC.O.[Cl-] |
| Title of publication | Organometallic gold(iii) complexes with hybrid SNS-donating thiosemicarbazone ligands: cytotoxicity and anti-Trypanosoma cruzi activity. |
| Authors of publication | Maia, P I da S; Carneiro, Z. A.; Lopes, C. D.; Oliveira, C. G.; Silva, J. S.; de Albuquerque, S.; Hagenbach, A.; Gust, R.; Deflon, V. M.; Abram, U. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 8 |
| Pages of publication | 2559 - 2571 |
| a | 11.0077 ± 0.0004 Å |
| b | 12.3387 ± 0.0004 Å |
| c | 24.8904 ± 0.001 Å |
| α | 102.496 ± 0.002° |
| β | 101.707 ± 0.002° |
| γ | 93.801 ± 0.002° |
| Cell volume | 3210.3 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211414 (current) | 2018-10-12 | cif/7/04/18/ Removing single quotes from the beginnings and ends of systematic chemical names in entries 7041829, 7041830. |
7041829.cif |
| 193778 | 2017-03-05 | cif/ Updating files of 7041829, 7041830, 7041831 Original log message: Adding full bibliography for 7041829--7041831.cif. |
7041829.cif |
| 190958 | 2017-01-26 | cif/ Adding structures of 7041829, 7041830, 7041831 via cif-deposit CGI script. |
7041829.cif |
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