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Information card for entry 4110050
Preview
| Coordinates | 4110050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H36 Cl6 P2 Pt |
|---|---|
| Calculated formula | C45 H34 Cl4 P2 Pt |
| SMILES | c12cccc3c1C1c4ccccc4C3c3cccc(c13)[P]([Pt]([P]2(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1.C(Cl)Cl |
| Title of publication | Highly Selective Hydrocyanation of Butadiene toward 3-Pentenenitrile |
| Authors of publication | Laura Bini; Christian Müller; Jos Wilting; Lars von Chrzanowski; Anthony L. Spek; Dieter Vogt |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 12622 - 12623 |
| a | 16.14097 ± 0.00018 Å |
| b | 16.8563 ± 0.0003 Å |
| c | 15.227 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4142.92 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178871 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/00. |
4110050.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110050.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110050.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110050.cif |
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Users of the data should acknowledge the original authors of the
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