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Information card for entry 7151161
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| Coordinates | 7151161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 8((1'',10'''-phenantroline-2''-yl)phenyl-(bis (2,2')- bipyridine)ruthenium)-2'-deoxyadenosine-dihexafluorophosphate |
|---|---|
| Chemical name | 8{(1'',10'''-phenantroline-2''-yl)phenyl-(bis [2,2']-bipyridine)ruthenium}-2'-deoxyadenosine- dihexafluorophosphate |
| Formula | C48 H38 F12 N11 O3 P2 Ru2 |
| Calculated formula | C48 H37.5 F12 N11 O3 P2 Ru |
| SMILES | [Ru]123([n]4c(c5ccc(c6n(c7ncnc(N)c7n6)[C@@H]6O[C@@H]([C@@H](O)C6)CO)cc5)ccc5c4c4[n]1cccc4cc5)([n]1c(cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis of 2'-deoxyadenosine nucleosides bearing bipyridine-type ligands and their Ru-complexes in position 8 through cross-coupling reactions. |
| Authors of publication | Vrábel, Milan; Pohl, Radek; Klepetárová, Blanka; Votruba, Ivan; Hocek, Michal |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2007 |
| Journal volume | 5 |
| Journal issue | 17 |
| Pages of publication | 2849 - 2857 |
| a | 13.291 ± 0.005 Å |
| b | 13.669 ± 0.005 Å |
| c | 16.242 ± 0.005 Å |
| α | 89.02 ± 0.03° |
| β | 71.32 ± 0.03° |
| γ | 89.82 ± 0.04° |
| Cell volume | 2794.9 ± 1.8 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections | 0.0778 |
| Weighted residual factors for significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180297 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/11. |
7151161.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151161.cif |
| 70898 | 2013-01-11 | Adding SMILES for a number of checked compounds with oxygen "in brackets" |
7151161.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151161.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7151161.cif |
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