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Information card for entry 4309855
Preview
| Coordinates | 4309855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C2 H7 N S |
|---|---|
| Calculated formula | C2 H7 N S |
| SMILES | [S-]CC[NH3+] |
| Title of publication | Cysteamine and Its Homoleptic Complexes with Group 12 Metal Ions. Differences in the Coordination Chemistry of ZnII, CdII, and HgII with a Small N,S-Donor Ligand |
| Authors of publication | Holger Fleischer; Yvonne Dienes; Bernd Mathiasch; Volker Schmitt; Dieter Schollmeyer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 8087 - 8096 |
| a | 5.187 ± 0.004 Å |
| b | 9.3113 ± 0.0008 Å |
| c | 8.847 ± 0.006 Å |
| α | 90° |
| β | 100.81 ± 0.03° |
| γ | 90° |
| Cell volume | 419.7 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.25 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4309855.cif |
| 258736 | 2020-11-05 | cif/4 Fixing wrong Z values and formulae |
4309855.cif |
| 179136 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/98. |
4309855.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309855.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309855.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309855.cif |
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Users of the data should acknowledge the original authors of the
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