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Information card for entry 7010730
Preview
| Coordinates | 7010730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Ru(4,4'-diClbpy)(COOMe)(CO)Cl2] |
|---|---|
| Formula | C14.5 H11 Cl3 N2 O4.5 Ru |
| Calculated formula | C14.5 H11 Cl3 N2 O4.5 Ru |
| 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 | 9.8788 ± 0.0004 Å |
| b | 9.9646 ± 0.0005 Å |
| c | 10.6567 ± 0.0005 Å |
| α | 72.402 ± 0.002° |
| β | 74.689 ± 0.003° |
| γ | 69.284 ± 0.002° |
| Cell volume | 920.65 ± 0.08 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0612 |
| Weighted residual factors for all reflections included in the refinement | 0.0624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7010730.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7010730.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010730.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010730.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010730.cif |
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Users of the data should acknowledge the original authors of the
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