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Information card for entry 4312714
Preview
| Coordinates | 4312714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Tl(m-F)3Ru(PPh3)3] |
|---|---|
| Formula | C55 H46 Cl3 F3 P3 Ru Tl |
| Calculated formula | C55 H46 Cl3 F3 P3 Ru Tl |
| SMILES | c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Ru]12([F][Tl]([F]1)[F]2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl |
| Title of publication | Bridging Fluorides and Hard/Soft Mismatch in d6 and d8 Complexes: The Case of [Tl(μ-F)3Ru(PPh3)3] |
| Authors of publication | Claus Becker; Iris Kieltsch; Diego Broggini; Antonio Mezzetti |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 8417 - 8429 |
| a | 12.7484 ± 0.0018 Å |
| b | 12.7484 ± 0.0018 Å |
| c | 17.362 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2443.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1318 |
| Weighted residual factors for all reflections included in the refinement | 0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179166 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/27. |
4312714.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4312714.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312714.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312714.cif |
| 5728 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4312714 via cif-deposit CGI script. |
4312714.cif |
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Users of the data should acknowledge the original authors of the
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