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Information card for entry 7052736
Preview
| Coordinates | 7052736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H40 B Cl F4 Fe N2 Ru S |
|---|---|
| Calculated formula | C34 H40 B Cl F4 Fe N2 Ru S |
| SMILES | [Ru]123456(Cl)([S](CCN7C=1N(C=C7)c1c(cc(cc1C)C)C)[c]17[cH]8[Fe]9%10%11%12%13%141([cH]8[cH]9[cH]7%10)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)[cH]1[c]2([cH]3[cH]4[c]5([cH]61)C)C(C)C.[B](F)(F)(F)[F-] |
| Title of publication | Rhodium(iii) and ruthenium(ii) complexes of redox-active, chelating N-heterocyclic carbene/thioether ligands |
| Authors of publication | Labande, Agnès; Daran, Jean-Claude; Long, Nicholas J.; White, Andrew J. P.; Poli, Rinaldo |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 10 |
| Pages of publication | 2162 |
| a | 11.882 ± 0.0003 Å |
| b | 10.2423 ± 0.0002 Å |
| c | 27.51 ± 0.0007 Å |
| α | 90° |
| β | 94.493 ± 0.002° |
| γ | 90° |
| Cell volume | 3337.65 ± 0.14 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0811 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.1072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180081 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27. |
7052736.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052736.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052736.cif |
| 28143 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7052736 via cif-deposit CGI script. |
7052736.cif |
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