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Information card for entry 7119086
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| Coordinates | 7119086.cif |
|---|
| Formula | C128 H78 B2 Cl2 F48 Pd4 |
|---|---|
| Calculated formula | C128 H78 B2 Cl2 F48 Pd4 |
| Title of publication | A mechanistic insight into metal-cluster pi-envelopment: a dual binding mode involving bent and planar ligand-conformers |
| Authors of publication | Kohei Masai; Katsunori Shirato; Koji Yamamoto; Yuki Kurashige; Tetsuro Murahashi |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 6427 |
| a | 14.2381 ± 0.0006 Å |
| b | 15.6226 ± 0.0007 Å |
| c | 28.2509 ± 0.0012 Å |
| α | 81.3277 ± 0.0009° |
| β | 79.8346 ± 0.0009° |
| γ | 77.6849 ± 0.001° |
| Cell volume | 6001.1 ± 0.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.2773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184117 (current) | 2016-07-01 | cif/ Adding structures of 7119085, 7119086, 7119087 via cif-deposit CGI script. |
7119086.cif |
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Users of the data should acknowledge the original authors of the
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