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Information card for entry 4129356
Preview
| Coordinates | 4129356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H61 B Cl F25 N Si2 Zr |
|---|---|
| Calculated formula | C62 H61 B Cl F25 N Si2 Zr |
| Title of publication | Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer. |
| Authors of publication | Pappas, Iraklis; Chirik, Paul J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 10 |
| Pages of publication | 3498 - 3501 |
| a | 19.6307 ± 0.0004 Å |
| b | 19.6307 ± 0.0004 Å |
| c | 34.1665 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13166.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1459 |
| Weighted residual factors for all reflections included in the refinement | 0.1472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240086 (current) | 2019-11-25 | cif/ Adding structures of 4129351, 4129352, 4129353, 4129354, 4129355, 4129356, 4129357 via cif-deposit CGI script. |
4129356.cif |
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Users of the data should acknowledge the original authors of the
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