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Information card for entry 4109521
Preview
| Coordinates | 4109521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H23 N O4 S |
|---|---|
| Calculated formula | C13 H23 N O4 S |
| SMILES | S(C(=C)C[NH+](C)C)C1CCCCC1.O=C(O)C(=O)[O-] |
| Title of publication | New Approach for Size- and Shape-Controlled Preparation of Pd Nanoparticles with Organic Ligands. Synthesis and Application in Catalysis |
| Authors of publication | Valentine P. Ananikov; Nikolay V. Orlov; Irina P. Beletskaya; Victor N. Khrustalev; Mikhail Yu. Antipin; Tatiana V. Timofeeva |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 7252 - 7253 |
| a | 32.42 ± 0.07 Å |
| b | 5.567 ± 0.012 Å |
| c | 16.32 ± 0.03 Å |
| α | 90° |
| β | 93.19 ± 0.03° |
| γ | 90° |
| Cell volume | 2941 ± 10 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2627 |
| Residual factor for significantly intense reflections | 0.0832 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4109521.cif |
| 178841 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/95. |
4109521.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109521.cif |
| 58298 | 2012-05-28 | cif/ Adding structures of 4109521 via cif-deposit CGI script. |
4109521.cif |
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Users of the data should acknowledge the original authors of the
structural data.