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Information card for entry 4087750
Preview
| Coordinates | 4087750.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H90 N2 Ni2 P4 |
|---|---|
| Calculated formula | C63 H90 N2 Ni2 P4 |
| Title of publication | Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands |
| Authors of publication | Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 19 |
| Pages of publication | 4753 |
| a | 18.7148 ± 0.0007 Å |
| b | 13.0646 ± 0.0005 Å |
| c | 25.9359 ± 0.0009 Å |
| α | 90° |
| β | 109.324 ± 0.002° |
| γ | 90° |
| Cell volume | 5984.1 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236979 (current) | 2019-11-24 | cif/ Adding structures of 4087750 via cif-deposit CGI script. |
4087750.cif |
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Users of the data should acknowledge the original authors of the
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