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Information card for entry 7003676
Preview
| Coordinates | 7003676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C15 H20 N4 O6 |
|---|---|
| Calculated formula | C15 H20 N4 O6 |
| SMILES | O1[C@@H](OCCn2nnc(c3ncccc3)c2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
| Title of publication | Syntheses, structural characterization and photophysical properties of 4-(2-pyridyl)-1,2,3-triazole rhenium(i) complexes |
| Authors of publication | Obata, Makoto; Kitamura, Asuka; Mori, Akemi; Kameyama, Chiaki; Czaplewska, Justyna A.; Tanaka, Rika; Kinoshita, Isamu; Kusumoto, Toshiyuki; Hashimoto, Hideki; Harada, Masafumi; Mikata, Yuji; Funabiki, Takuzo; Yano, Shigenobu |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 25 |
| Pages of publication | 3292 - 3300 |
| a | 11.56 ± 0.004 Å |
| b | 5.4449 ± 0.0017 Å |
| c | 13.267 ± 0.005 Å |
| α | 90° |
| β | 100.247 ± 0.004° |
| γ | 90° |
| Cell volume | 821.7 ± 0.5 Å3 |
| Cell temperature | 173.1 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 significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.0506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7003676.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7003676.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7003676.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003676.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003676.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003676.cif |
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Users of the data should acknowledge the original authors of the
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