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Information card for entry 7013890
Preview
| Coordinates | 7013890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ru Gorilla |
|---|---|
| Formula | C33 H35 F6 N7 O8 Ru S2 |
| Calculated formula | C33 H31 F6 N7 O8 Ru S2 |
| SMILES | [Ru]12345[N](Cc6[n]1c(ccc6)C[N]2(Cc1ncccc1)Cc1[n]3cccc1)(Cc1[n]5cccc1)Cc1[n]4cccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].O.O |
| Title of publication | Strain-induced substitutional lability in a Ru(II) complex of a hypodentate polypyridine ligand. |
| Authors of publication | Akermark, Björn; Bjernemose, Jens; Börje, Anna; Chmielewski, Piotr J.; Paulsen, Hauke; Simonsen, Ole; Stein, Paul C.; Toftlund, Hans; Wolny, Juliusz A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 8 |
| Pages of publication | 1215 - 1220 |
| a | 17.982 ± 0.001 Å |
| b | 9.961 ± 0.003 Å |
| c | 22.605 ± 0.001 Å |
| α | 90° |
| β | 110.332 ± 0.001° |
| γ | 90° |
| Cell volume | 3796.7 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0596 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.1552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7013890.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013890.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013890.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013890.cif |
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Users of the data should acknowledge the original authors of the
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