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Information card for entry 4072653
Preview
| Coordinates | 4072653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H34 I2 P2 Pt |
|---|---|
| Calculated formula | C24 H34 I2 P2 Pt |
| SMILES | [Pt](I)(I)([P]1(CCCCCC1)c1ccccc1)[P]1(CCCCCC1)c1ccccc1 |
| Title of publication | Ligand Stereoelectronic Effects in Complexes of Phospholanes, Phosphinanes, and Phosphepanes and Their Implications for Hydroformylation Catalysis |
| Authors of publication | Baber, R. Angharad; Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Haynes, Anthony; Williams, Gary L.; Papp, Rainer |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 3 |
| Pages of publication | 713 |
| a | 9.1251 ± 0.001 Å |
| b | 16.8748 ± 0.0018 Å |
| c | 33.956 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5228.7 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0924 |
| Weighted residual factors for all reflections included in the refinement | 0.1007 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178615 (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 4/07/26. |
4072653.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072653.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072653.cif |
| 45935 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072648, 4072649, 4072650, 4072651, 4072652, 4072653, 4072654, 4072655, 4072656, 4072657 via cif-deposit CGI script. |
4072653.cif |
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Users of the data should acknowledge the original authors of the
structural data.