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Information card for entry 4087746
Preview
| Coordinates | 4087746.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H61 B F3 N Ni O3 P2 S |
|---|---|
| Calculated formula | C42 H61 B F3 N Ni O3 P2 S |
| 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 | 15.7224 ± 0.0011 Å |
| b | 12.6201 ± 0.0009 Å |
| c | 22.1023 ± 0.0015 Å |
| α | 90° |
| β | 108.003 ± 0.002° |
| γ | 90° |
| Cell volume | 4170.8 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236973 (current) | 2019-11-24 | cif/ Adding structures of 4087746 via cif-deposit CGI script. |
4087746.cif |
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Users of the data should acknowledge the original authors of the
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