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Information card for entry 4073591
Preview
| Coordinates | 4073591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H38 Ir P3 Si |
|---|---|
| Calculated formula | C15 H38 Ir P3 Si |
| SMILES | [Ir]12([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[Si](C=C[CH]2=[CH2]1)(C)C |
| Title of publication | Synthesis, Structure, and Spectroscopy of Silaallyl− and Silapentadienyl−Iridium−Phosphine Complexes1 |
| Authors of publication | Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 16 |
| Pages of publication | 3904 |
| a | 12.651 ± 0.0006 Å |
| b | 13.0711 ± 0.0006 Å |
| c | 13.2542 ± 0.0006 Å |
| α | 90° |
| β | 96.138 ± 0.002° |
| γ | 90° |
| Cell volume | 2179.18 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0184 |
| Residual factor for significantly intense reflections | 0.0173 |
| Weighted residual factors for significantly intense reflections | 0.0325 |
| Weighted residual factors for all reflections included in the refinement | 0.0328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178624 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/35. |
4073591.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 {}' |
4073591.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4073591.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073591.cif |
| 46437 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073591 via cif-deposit CGI script. |
4073591.cif |
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