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Information card for entry 4085577
Preview
| Coordinates | 4085577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H19 B Cl N9 O Ru |
|---|---|
| Calculated formula | C17 H19 B Cl N9 O Ru |
| SMILES | [Ru]123(Cl)([N](=O)c4c([NH2]3)cccc4)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1.N#CC |
| Title of publication | Ortho−Nitrosation of Anilines on a Ruthenium Hydridotris(pyrazolyl)borato Complex and Oxidation of the Resulting Coordinated Amine Groups |
| Authors of publication | Arikawa, Yasuhiro; Yamaguchi, Soseki; Otsubo, Yuji; Onishi, Masayoshi; Umakoshi, Keisuke |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 6 |
| Pages of publication | 1056 |
| a | 8.479 ± 0.002 Å |
| b | 11.139 ± 0.003 Å |
| c | 11.453 ± 0.003 Å |
| α | 100.752 ± 0.004° |
| β | 103.497 ± 0.004° |
| γ | 92.977 ± 0.003° |
| Cell volume | 1028.2 ± 0.5 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 | 0.0271 |
| Weighted residual factors for all reflections included in the refinement | 0.0613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178744 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55. |
4085577.cif |
| 134854 | 2015-04-04 | cif/ Updating files of 4085576, 4085577, 4085578, 4085579, 4085580 Original log message: Adding full bibliography for 4085576--4085580.cif. |
4085577.cif |
| 132702 | 2015-03-04 | cif/ Adding structures of 4085576, 4085577, 4085578, 4085579, 4085580 via cif-deposit CGI script. |
4085577.cif |
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Users of the data should acknowledge the original authors of the
structural data.