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Information card for entry 4338661
Preview
| Coordinates | 4338661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H35 N5 O S |
|---|---|
| Calculated formula | C34 H35 N5 O S |
| Title of publication | Recognition Preference of Rhodamine-Thiospirolactams for Mercury(II) in Aqueous Solution |
| Authors of publication | Huang, Wei; Song, Chunxia; He, Cheng; Lv, Guojun; Hu, Xiaoyue; Zhu, Xiang; Duan, Chunying |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Journal issue | 12 |
| Pages of publication | 5061 - 5072 |
| a | 16.0545 ± 0.0015 Å |
| b | 12.2284 ± 0.0014 Å |
| c | 17.1902 ± 0.0016 Å |
| α | 90° |
| β | 115.556 ± 0.006° |
| γ | 90° |
| Cell volume | 3044.6 ± 0.6 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1293 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.1023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338661.cif |
| 210066 | 2018-08-23 | cif/4/ Updating bibliography in entries 4302255-4302257, 4338659-4338661. Marking entries 4302255-4302257 as duplicates of entries 4338660, 4338661, 4338659. |
4338661.cif |
| 179489 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/86. |
4338661.cif |
| 114781 | 2014-05-29 | cif/ Adding structures of 4338661 via cif-deposit CGI script. |
4338661.cif |
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Users of the data should acknowledge the original authors of the
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