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Information card for entry 7009844
Preview
| Coordinates | 7009844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H32 F6 N8 O9 Ru S2 |
|---|---|
| Calculated formula | C36 H26 F6 N8 O9 Ru S2 |
| SMILES | S(=O)(=O)([O-])C(F)(F)F.c1cccc2[n]1[Ru]13([n]4c(c5[n]1c1ccccc1[nH]5)[nH]c1c4cccc1)([n]1ccccc1c1[n]3cccc1)[n]1c2cccc1.O.O.S(=O)(=O)([O-])C(F)(F)F.O |
| Title of publication | Bis(R-bipyridyl)ruthenium bibenzimidazole complexes (R = H, Me or But): supramolecular arrangement via hydrogen bonds, photo- and electro-chemical properties and reactivity towards carbon dioxide |
| Authors of publication | Sven Rau; Mario Ruben; Torsten Büttner; Christian Temme; Sylvana Dautz; Helmar Görls; Manfred Rudolph; Dirk Walther; Andre Brodkorb; Marco Duati; Christine O'Connor; Johannes G. Vos |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2000 |
| Journal issue | 20 |
| Pages of publication | 3649 - 3657 |
| a | 22.029 ± 0.001 Å |
| b | 16.29 ± 0.001 Å |
| c | 13.3542 ± 0.0006 Å |
| α | 90° |
| β | 122.214 ± 0.002° |
| γ | 90° |
| Cell volume | 4054.5 ± 0.4 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1283 |
| Residual factor for significantly intense reflections | 0.0954 |
| Weighted residual factors for significantly intense reflections | 0.2229 |
| Weighted residual factors for all reflections included in the refinement | 0.2407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179802 (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 7/00/98. |
7009844.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009844.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009844.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009844.cif |
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