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Information card for entry 7026361
Preview
| Coordinates | 7026361.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H17 N5 S2 |
|---|---|
| Calculated formula | C21 H17 N5 S2 |
| Title of publication | Synthesis, characterization, and photophysical properties of a thiophene-functionalized bis(pyrazolyl) pyridine (BPP) tricarbonyl rhenium(I) complex. |
| Authors of publication | Lytwak, Lauren A.; Stanley, Julie M.; Mejía, Michelle L; Holliday, Bradley J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 33 |
| Pages of publication | 7692 - 7699 |
| a | 10.045 ± 0.002 Å |
| b | 10.104 ± 0.002 Å |
| c | 20.422 ± 0.004 Å |
| α | 100.221 ± 0.008° |
| β | 101.683 ± 0.009° |
| γ | 91.634 ± 0.008° |
| Cell volume | 1993.1 ± 0.7 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0966 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.1668 |
| Weighted residual factors for all reflections included in the refinement | 0.1781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7026361.cif |
| 179969 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/63. |
7026361.cif |
| 93474 | 2014-01-13 | cif/ Adding structures of 7026360, 7026361 via cif-deposit CGI script. |
7026361.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.