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Information card for entry 4115664
Preview
| Coordinates | 4115664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H79 B Cl4 F4 N2 P2 Pt |
|---|---|
| Calculated formula | C43 H79 B Cl4 F4 N2 P2 Pt |
| Title of publication | Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study |
| Authors of publication | David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Pages of publication | 8317 - 8328 |
| a | 11.5338 ± 0.0007 Å |
| b | 15.0977 ± 0.0009 Å |
| c | 15.1892 ± 0.0009 Å |
| α | 85.795 ± 0.002° |
| β | 75.59 ± 0.002° |
| γ | 75.522 ± 0.002° |
| Cell volume | 2480.2 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.086 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.039 |
| Goodness-of-fit parameter for all reflections | 0.949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4115664.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115664.cif |
| 69378 | 2012-12-14 | cif/ Adding structures of 4115664 via cif-deposit CGI script. |
4115664.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.