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Information card for entry 4071459
Preview
| Coordinates | 4071459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C24 H28 N2 O4 S4 |
|---|---|
| Calculated formula | C24 H28 N2 O4 S4 |
| SMILES | S1C(SC2=C1SCCOCCOCCOCCOCCS2)=C(c1ncccc1)c1ncccc1 |
| Title of publication | Rhenium(I) Tricarbonyl Complexes with New Pyridine Ligands Containing Crown Ether-Annelated or Anthracene-Functionalized 1,3-Dithiole-2-ylidene |
| Authors of publication | Liu, Wei; Chen, Ya; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 2990 |
| a | 24.396 ± 0.007 Å |
| b | 10.121 ± 0.003 Å |
| c | 10.18 ± 0.003 Å |
| α | 90° |
| β | 96.305 ± 0.005° |
| γ | 90° |
| Cell volume | 2498.4 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1848 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.1449 |
| Weighted residual factors for all reflections included in the refinement | 0.1789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4071459.cif |
| 178603 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/14. |
4071459.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071459.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071459.cif |
| 43854 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071459 via cif-deposit CGI script. |
4071459.cif |
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Users of the data should acknowledge the original authors of the
structural data.