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Information card for entry 8101021
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| Coordinates | 8101021.cif |
|---|
| Formula | C17 H12 F3 N5 O6.5 Re S |
|---|---|
| Calculated formula | C17 H12 F3 N5 O6.5 Re S |
| Title of publication | Crystal structure of 2,2'-bipyrimidine-tricarbonyl-pyridine-rhenium (I) trifluoromethanesulfonate hemihydrate, (C~16~H~11~N~5~O~3~Re) (CF~3~O~3~S) · 0.5H~2~O |
| Authors of publication | Aechter, Bernd; Polborn, Kurt; Beck, Wolfgang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 3 |
| Pages of publication | 411 - 412 |
| a | 7.949 ± 0.002 Å |
| b | 10.966 ± 0.003 Å |
| c | 14.947 ± 0.002 Å |
| α | 104.62 ± 0.02° |
| β | 101.89 ± 0.02° |
| γ | 93.47 ± 0.02° |
| Cell volume | 1225 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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