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Information card for entry 2240579
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| Coordinates | 2240579.cif |
|---|---|
| Structure factors | 2240579.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tricarbonyltris(pyridine-κ<i>N</i>)rhenium(I) tetrafluoridoborate |
|---|---|
| Formula | C18 H15 B F4 N3 O3 Re |
| Calculated formula | C18 H15 B F4 N3 O3 Re |
| Title of publication | Crystal structure of tricarbonyltris(pyridine-κ<i>N</i>)rhenium(I) tetrafluoridoborate |
| Authors of publication | Ikotun, Adebomi A.; Coogan, Micheal P.; Owoseni, Abimbola A.; Bhuvanesh, Nattamai; Egharevba, Gabriel O. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | m106 - m107 |
| a | 8.1272 ± 0.0012 Å |
| b | 18.718 ± 0.003 Å |
| c | 13.046 ± 0.002 Å |
| α | 90° |
| β | 97.317 ± 0.009° |
| γ | 90° |
| Cell volume | 1968.5 ± 0.5 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0267 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0476 |
| Weighted residual factors for all reflections included in the refinement | 0.0481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240579.cif 2240579.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240579.cif 2240579.hkl |
| 136375 | 2015-05-13 | cif/ hkl/ Adding structures of 2240579 via cif-deposit CGI script. |
2240579.cif 2240579.hkl |
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Users of the data should acknowledge the original authors of the
structural data.