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Information card for entry 2237542
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| Coordinates | 2237542.cif |
|---|---|
| Structure factors | 2237542.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ~2~-chlorido-bis[chlorido(η^5^-2,3,4,5-tetramethyl-1-propylcyclopentadienyl)iridium(III)] |
|---|---|
| Formula | C24 H38 Cl4 Ir2 |
| Calculated formula | C24 H38 Cl4 Ir2 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ir]12345([Cl][Ir]2345([c]6([c]5([c]4([c]3([c]26C)C)C)C)CCC)(Cl)[Cl]1)Cl)C)C)C)CCC |
| Title of publication | Di-μ~2~-chlorido-bis[chlorido(η^5^-2,3,4,5-tetramethyl-1-propylcyclopentadienyl)iridium(III)] |
| Authors of publication | Merola, Joseph S.; Morris, David; De Weerd, Nicholas |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | m176 |
| a | 8.84367 ± 0.00012 Å |
| b | 8.839 ± 0.00012 Å |
| c | 17.2662 ± 0.0002 Å |
| α | 90° |
| β | 103.674 ± 0.0014° |
| γ | 90° |
| Cell volume | 1311.43 ± 0.03 Å3 |
| Cell temperature | 100.1 K |
| Ambient diffraction temperature | 100.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0244 |
| Residual factor for significantly intense reflections | 0.0194 |
| Weighted residual factors for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.0396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181297 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/75. |
2237542.cif 2237542.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237542.cif 2237542.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237542.cif 2237542.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237542.cif 2237542.hkl |
| 78836 | 2013-04-02 | cif/ Adding structures of 2237542 via cif-deposit CGI script. |
2237542.cif |
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Users of the data should acknowledge the original authors of the
structural data.