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Information card for entry 7201823
Preview
| Coordinates | 7201823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 Ru |
|---|---|
| Calculated formula | C10 H10 Ru |
| SMILES | [cH]12[cH]3[cH]4[Ru]5678913([cH]1[cH]7[cH]8[cH]9[cH]51)[cH]2[cH]46 |
| Title of publication | Crucial role of Ru⋯H interactions in the crystal packing of ruthenocene and its derivatives |
| Authors of publication | Borissova, Alexandra O.; Antipin, Mikhail Yu.; Perekalin, Dmirtrii S.; Lyssenko, Konstantin A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 7 |
| Pages of publication | 827 |
| a | 7.0121 ± 0.0001 Å |
| b | 8.8234 ± 0.0001 Å |
| c | 12.7646 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 789.753 ± 0.019 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0289 |
| Residual factor for significantly intense reflections | 0.0193 |
| Weighted residual factors for significantly intense reflections | 0.0349 |
| Weighted residual factors for all reflections included in the refinement | 0.038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180349 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/18. |
7201823.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201823.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201823.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7201823.cif |
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Users of the data should acknowledge the original authors of the
structural data.