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Information card for entry 4088159
Preview
| Coordinates | 4088159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H46 B Br Cl2 F20 Fe P2 Pd |
|---|---|
| Calculated formula | C51 H46 B Br Cl2 F20 Fe P2 Pd |
| Title of publication | Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds |
| Authors of publication | Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 4 |
| Pages of publication | 462 |
| a | 14.177 ± 0.003 Å |
| b | 20.023 ± 0.003 Å |
| c | 18.731 ± 0.004 Å |
| α | 90° |
| β | 91.728 ± 0.006° |
| γ | 90° |
| Cell volume | 5314.7 ± 1.8 Å3 |
| Cell temperature | 78 ± 2 K |
| Ambient diffraction temperature | 78.15 K |
| Number of distinct elements | 9 |
| 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 | 0.0807 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237319 (current) | 2019-11-24 | cif/ Adding structures of 4088154, 4088155, 4088156, 4088157, 4088158, 4088159, 4088160, 4088161, 4088162, 4088163 via cif-deposit CGI script. |
4088159.cif |
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Users of the data should acknowledge the original authors of the
structural data.