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Information card for entry 7036747
Preview
| Coordinates | 7036747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H43 Bi Cl2 N2 O4 |
|---|---|
| Calculated formula | C49 H43 Bi Cl2 N2 O4 |
| SMILES | [Bi]12([O]=C(O1)c1ccccc1Nc1cccc(Cl)c1C)([O]=C(O2)c1ccccc1Nc1cccc(Cl)c1C)(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1 |
| Title of publication | Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major. |
| Authors of publication | Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 41 |
| Pages of publication | 18215 - 18226 |
| a | 20.797 ± 0.004 Å |
| b | 15.314 ± 0.003 Å |
| c | 26.182 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8339 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.7108 Å |
| Diffraction radiation type | synchrotron |
| 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. |
7036747.cif |
| 171182 | 2015-12-09 | cif/ Updating files of 7036737, 7036738, 7036739, 7036740, 7036741, 7036742, 7036743, 7036744, 7036745, 7036746, 7036747 Original log message: Adding full bibliography for 7036737--7036747.cif. |
7036747.cif |
| 159534 | 2015-10-02 | cif/ Adding structures of 7036737, 7036738, 7036739, 7036740, 7036741, 7036742, 7036743, 7036744, 7036745, 7036746, 7036747 via cif-deposit CGI script. |
7036747.cif |
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Users of the data should acknowledge the original authors of the
structural data.