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Information card for entry 2107282
Preview
| Coordinates | 2107282.cif |
|---|---|
| Structure factors | 2107282.hkl |
| Original paper (by DOI) | HTML |
| Formula | C30 H54 B Br F4 N2 O2 P2 Ru |
|---|---|
| Calculated formula | C30 H54 B Br F4 N2 O2 P2 Ru |
| Title of publication | Photocrystallography and IR spectroscopy of light-induced linkage NO isomers in [RuBr(NO)~2~(PCyp~3~)~2~]BF~4~ |
| Authors of publication | Casaretto, Nicolas; Pillet, Sébastien; Bendeif, El-Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 788 - 797 |
| a | 10.7862 ± 0.0004 Å |
| b | 12.2712 ± 0.0005 Å |
| c | 13.7402 ± 0.0005 Å |
| α | 104.562 ± 0.003° |
| β | 91.987 ± 0.003° |
| γ | 108.301 ± 0.003° |
| Cell volume | 1658.37 ± 0.12 Å3 |
| Cell temperature | 10 ± 5 K |
| Ambient diffraction temperature | 10 ± 5 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0552 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181883 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/72. |
2107282.cif 2107282.hkl |
| 170701 | 2015-12-04 | cif/ hkl/ Adding structures of 2107281, 2107282 via cif-deposit CGI script. |
2107282.cif 2107282.hkl |
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.