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Information card for entry 4320274
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| Coordinates | 4320274.cif |
|---|---|
| Structure factors | 4320274.hkl |
| Original paper (by DOI) | HTML |
| Formula | C13 H24 Ir P S4 |
|---|---|
| Calculated formula | C13 H24 Ir P S4 |
| SMILES | [Ir]12345([P](C)(C)C)(SSSS1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
| Title of publication | The Preparation of (η5-C5Me5)Ir(PMe3)S4 from (η5-C5Me5)Ir(PMe3)(SH)2 and SO2 |
| Authors of publication | Bouchra El Mouatassim; Céline Pearson; Alan Shaver |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5290 - 5291 |
| a | 8.767 ± 0.003 Å |
| b | 13.443 ± 0.005 Å |
| c | 15.447 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1820.5 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections | 0.1331 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections | 1.017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.7093 Å |
| Diffraction radiation type | MoKå |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179305 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/02. |
4320274.cif 4320274.hkl |
| 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 {}' |
4320274.cif 4320274.hkl |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320274.cif 4320274.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 4320274.cif 4320274.hkl |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320274.cif 4320274.hkl |
| 34320 | 2012-02-24 | hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory. |
4320274.cif 4320274.hkl |
| 32116 | 2012-02-04 | hkl/ Settin the svn:keywords property on the recently deposited .hkl files. |
4320274.cif 4320274.hkl |
| 18118 | 2011-04-27 | hkl/4 Adding a few hkl files downloaded from Inorg. Chem. 2001 |
4320274.cif 4320274.hkl |
| 17178 | 2011-04-05 | ../uploads/cif-deposit/cod/cif Adding structures of 4320274 via cif-deposit CGI script. |
4320274.cif |
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Users of the data should acknowledge the original authors of the
structural data.