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Information card for entry 4312717
Preview
| Coordinates | 4312717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ru2TlBrF3X(PPh3)4].CHCl3 |
|---|---|
| Formula | C73 H61 Br Cl3 F4 P4 Ru2 Tl |
| Calculated formula | C72.719 H60.719 Br1.389 Cl2.157 F3.611 P4 Ru2 Tl |
| 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 | 13.1385 ± 0.0005 Å |
| b | 25.1451 ± 0.0009 Å |
| c | 22.4359 ± 0.0007 Å |
| α | 90° |
| β | 93.053 ± 0.001° |
| γ | 90° |
| Cell volume | 7401.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1517 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1428 |
| Weighted residual factors for all reflections included in the refinement | 0.1653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.842 |
| 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. |
4312717.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 {}' |
4312717.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312717.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312717.cif |
| 5731 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4312717 via cif-deposit CGI script. |
4312717.cif |
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Users of the data should acknowledge the original authors of the
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