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Information card for entry 7011693
Preview
| Coordinates | 7011693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H52 Cl8 N12 O7 Ru2 Zn2 |
|---|---|
| Calculated formula | C52 H40 Cl8 N12 O7 Ru2 Zn2 |
| SMILES | [Ru]123([n]4ccccc4c4[n]1o[n]1[Ru]56([n]7c(c41)cccc7)([n]1ccccc1c1[n]5cccc1)[n]1ccccc1c1[n]6cccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[Zn](Cl)(Cl)([Cl-])[Cl-].[Zn](Cl)(Cl)([Cl-])[Cl-].O.O.O.O.O.O |
| Title of publication | Mono- and di-nuclear complexes of the ligands 3,4-di(2-pyridyl)-1,2,5-oxadiazole and 3,4-di(2-pyridyl)-1,2,5-thiadiazole; new bridges allowing unusually strong metal‒metal interactions |
| Authors of publication | Richardson, Chris; Steel, Peter J.; D'Alessandro, Deanna M.; Junk, Peter C.; Keene, F. Richard |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 13 |
| Pages of publication | 2775 |
| a | 13.743 ± 0.003 Å |
| b | 21.685 ± 0.004 Å |
| c | 21.332 ± 0.004 Å |
| α | 90° |
| β | 92.55 ± 0.03° |
| γ | 90° |
| Cell volume | 6351 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0897 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1504 |
| Weighted residual factors for all reflections included in the refinement | 0.1815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179820 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/16. |
7011693.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011693.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011693.cif |
| 11752 | 2011-02-18 | cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script. |
7011693.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011693.cif |
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