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Information card for entry 1573220
Preview
| Coordinates | 1573220.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Pt-H_PtBu3_2-CH3CN [BF3] |
|---|---|
| Formula | C26 H58 B F4 N P2 Pt |
| Calculated formula | C26 H58 B F4 N P2 Pt |
| Title of publication | Structural Characterization of Surface Immobilized Platinum Hydrides by Sensitivity-Enhanced 195Pt Solid State NMR Spectroscopy and DFT Calculations |
| Authors of publication | Atterberry, Benjamin A.; Wimmer, Erik; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven; Rossini, Aaron J. |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 8.585 ± 0.002 Å |
| b | 12.11 ± 0.003 Å |
| c | 29.773 ± 0.006 Å |
| α | 90° |
| β | 90.461 ± 0.009° |
| γ | 90° |
| Cell volume | 3095.2 ± 1.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1365 |
| Residual factor for significantly intense reflections | 0.0863 |
| Weighted residual factors for significantly intense reflections | 0.1705 |
| Weighted residual factors for all reflections included in the refinement | 0.198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296019 (current) | 2024-11-21 | cif/ Adding structures of 1573220, 1573221, 1573222 via cif-deposit CGI script. |
1573220.cif |
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