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Information card for entry 7005728
Preview
| Coordinates | 7005728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 Cl2 N2 O2 Os |
|---|---|
| Calculated formula | C12 H8 Cl2 N2 O2 Os |
| SMILES | [Os]1(Cl)(Cl)([n]2ccccc2c2[n]1cccc2)(C#[O])C#[O] |
| Title of publication | An alternative synthesis method for [Os(NN)(CO)(2)X(2)] complexes (NN = 2,2'-bipyridine, 4,4'-dimethyl-2,2'-bipyridine; X = Cl, Br, I). Electrochemical and photochemical properties and behavior. |
| Authors of publication | Jakonen, Minna; Hirva, Pipsa; Haukka, Matti; Chardon-Noblat, Sylvie; Lafolet, Frédéric; Chauvin, Jérôme; Deronzier, Alain |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 30 |
| Pages of publication | 3314 - 3324 |
| a | 8.182 ± 0.0006 Å |
| b | 6.818 ± 0.0003 Å |
| c | 12.445 ± 0.0008 Å |
| α | 90° |
| β | 104.171 ± 0.003° |
| γ | 90° |
| Cell volume | 673.12 ± 0.07 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0347 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0625 |
| Weighted residual factors for all reflections included in the refinement | 0.0634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179761 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/57. |
7005728.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005728.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005728.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005728.cif |
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