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Information card for entry 4314963
Preview
| Coordinates | 4314963.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H50 N2 O4 Pb S4 |
|---|---|
| Calculated formula | C38 H50 N2 O4 Pb S4 |
| SMILES | [Pb]12(SC(=C\c3sccc3)/C(=O)O2)(SC(=C\c2sccc2)/C(=O)O1)(c1ccccc1)c1ccccc1.[NH2+](C(C)C)C(C)C.[NH2+](C(C)C)C(C)C |
| Title of publication | Interactions of Diorganolead(IV) with 3-(2-Thienyl)-2-sulfanylpropenoic Acid and/or Thiamine: Chemical and in Vitro and in Vivo Toxicological Results |
| Authors of publication | José S. Casas; M. Victoria Castaño; Agustín Sánchez; José Sordo; M. Dolores Torres; María D. Couce; Angeles Gato; Carmen Álvarez-Lorenzo; M. Félix Camiña; Eduardo E. Castellano |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 2173 - 2181 |
| a | 19.4711 ± 0.0003 Å |
| b | 9.3003 ± 0.0001 Å |
| c | 25.3527 ± 0.0003 Å |
| α | 90° |
| β | 99.283 ± 0.001° |
| γ | 90° |
| Cell volume | 4530.92 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0852 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.142 |
| Weighted residual factors for all reflections included in the refinement | 0.1518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179229 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/49. |
4314963.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314963.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314963.cif |
| 8106 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4314963 via cif-deposit CGI script. |
4314963.cif |
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