Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4130565
Preview
| Coordinates | 4130565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | holpg07 |
|---|---|
| Formula | C50 H68 Fe2 N4 |
| Calculated formula | C50 H68 Fe2 N4 |
| Title of publication | The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex. |
| Authors of publication | Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 37 |
| Pages of publication | 12112 - 12123 |
| a | 13.2514 ± 0.0013 Å |
| b | 11.7781 ± 0.0012 Å |
| c | 15.3265 ± 0.0015 Å |
| α | 90° |
| β | 110.665 ± 0.002° |
| γ | 90° |
| Cell volume | 2238.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.0937 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1228 |
| Weighted residual factors for all reflections included in the refinement | 0.1435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240972 (current) | 2019-11-25 | cif/ Adding structures of 4130563, 4130564, 4130565, 4130566, 4130567, 4130568 via cif-deposit CGI script. |
4130565.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.