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Information card for entry 4064201
Preview
| Coordinates | 4064201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H27 Cl Ir O2 P |
|---|---|
| Calculated formula | C20 H27 Cl Ir O2 P |
| SMILES | [Ir](Cl)(C#[O])(C#[O])[P](c1ccccc1)(C1CCCCC1)C1CCCCC1 |
| Title of publication | Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines |
| Authors of publication | Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 6 |
| Pages of publication | 1668 |
| a | 11.05 ± 0.003 Å |
| b | 14.534 ± 0.004 Å |
| c | 13.029 ± 0.003 Å |
| α | 90° |
| β | 92.005 ± 0.007° |
| γ | 90° |
| Cell volume | 2091.2 ± 0.9 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0476 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178536 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/42. |
4064201.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064201.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064201.cif |
| 32812 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064193, 4064194, 4064195, 4064196, 4064197, 4064198, 4064199, 4064200, 4064201 via cif-deposit CGI script. |
4064201.cif |
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Users of the data should acknowledge the original authors of the
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