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Information card for entry 7010728
Preview
| Coordinates | 7010728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | trans(Cl)-[Ru(4,4'-NObpy)(CO)2Cl2] |
|---|---|
| Formula | C12 H6 Cl2 N4 O6 Ru |
| Calculated formula | C12 H6 Cl2 N4 O6 Ru |
| SMILES | [Ru]1(Cl)(Cl)(C#[O])(C#[O])[n]2ccc(N(=O)=O)cc2c2[n]1ccc(c2)N(=O)=O |
| Title of publication | Electron withdrawing and electron donating effects of 4,4'-bipyridine substituents on ruthenium mono(bipyridine) complexes |
| Authors of publication | Toni-J. J. Kinnunen; Matti Haukka; Matti Nousiainen; Antti Patrikka; Tapani A. Pakkanen |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2001 |
| Journal issue | 18 |
| Pages of publication | 2649 - 2654 |
| a | 21.6703 ± 0.0009 Å |
| b | 38.6235 ± 0.0005 Å |
| c | 7.8367 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6559.2 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0275 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0458 |
| Weighted residual factors for all reflections included in the refinement | 0.0467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010728.cif |
| 179811 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/07. |
7010728.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010728.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010728.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010728.cif |
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