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Information card for entry 7016837
Preview
| Coordinates | 7016837.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H20 N4 S |
|---|---|
| Calculated formula | C14 H20 N4 S |
| SMILES | [S-]C(N1CCC(CC1)C)=N[NH+]=C(c1ncccc1)C |
| Title of publication | Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands. |
| Authors of publication | Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 38 |
| Pages of publication | 9810 - 9820 |
| a | 8.4059 ± 0.0004 Å |
| b | 4.8128 ± 0.0004 Å |
| c | 17.6696 ± 0.001 Å |
| α | 90° |
| β | 92.275 ± 0.004° |
| γ | 90° |
| Cell volume | 714.28 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7016837.cif |
| 296166 | 2024-11-29 | Removed the '_chemical_name_systematic' and '_chemical_name_common' data names that had the 'Title' placeholder value. |
7016837.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7016837.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016837.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016837.cif |
| 28091 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016837, 7016838, 7016839, 7016840, 7016841, 7016842 via cif-deposit CGI script. |
7016837.cif |
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