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Information card for entry 4515823
Preview
| Coordinates | 4515823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H53 Fe Ni P2 |
|---|---|
| Calculated formula | C56 H53 Fe Ni P2 |
| Title of publication | Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity. |
| Authors of publication | Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q. |
| Journal of publication | ACS catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 3 |
| Pages of publication | 2526 - 2533 |
| a | 14.0344 ± 0.0009 Å |
| b | 13.358 ± 0.0009 Å |
| c | 23.5713 ± 0.0019 Å |
| α | 90° |
| β | 95.985 ± 0.007° |
| γ | 90° |
| Cell volume | 4394.9 ± 0.5 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0778 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| 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 |
|---|---|---|---|
| 225926 (current) | 2019-11-10 | cif/ Adding structures of 4515821, 4515822, 4515823, 4515824 via cif-deposit CGI script. |
4515823.cif |
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Users of the data should acknowledge the original authors of the
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