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Information card for entry 4320419
Preview
| Coordinates | 4320419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H37 Ir O P2 |
|---|---|
| Calculated formula | C26 H37 Ir O P2 |
| SMILES | [Ir]([P]1([C@H](C)CC[C@H]1C)c1ccccc1)([P]1([C@H](C)CC[C@H]1C)c1ccccc1)(C)C#[O] |
| Title of publication | Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties |
| Authors of publication | Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5626 - 5635 |
| a | 9.1715 ± 0.0006 Å |
| b | 14.7803 ± 0.001 Å |
| c | 9.7107 ± 0.0006 Å |
| α | 90° |
| β | 101.541 ± 0.001° |
| γ | 90° |
| Cell volume | 1289.74 ± 0.15 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0224 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0534 |
| Weighted residual factors for all reflections included in the refinement | 0.0541 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179307 (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 4/32/04. |
4320419.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320419.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320419.cif |
| 17327 | 2011-04-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4320419 via cif-deposit CGI script. |
4320419.cif |
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Users of the data should acknowledge the original authors of the
structural data.