Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572274
Preview
| Coordinates | 1572274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H107 I N2 Y |
|---|---|
| Calculated formula | C75 H107 I N2 Y |
| Title of publication | δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes. |
| Authors of publication | MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 37 |
| Pages of publication | 15160 - 15169 |
| a | 14.7959 ± 0.0001 Å |
| b | 23.5264 ± 0.0002 Å |
| c | 19.4313 ± 0.0001 Å |
| α | 90° |
| β | 97.291 ± 0.001° |
| γ | 90° |
| Cell volume | 6709.23 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 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 | 0.0404 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295169 (current) | 2024-10-06 | cif/ Updating files of 1572261, 1572262, 1572263, 1572264, 1572265, 1572266, 1572267, 1572268, 1572269, 1572270, 1572271, 1572272, 1572273, 1572274, 1572275 Original log message: Adding full bibliography for 1572261--1572275.cif. |
1572274.cif |
| 293955 | 2024-08-06 | cif/ Adding structures of 1572261, 1572262, 1572263, 1572264, 1572265, 1572266, 1572267, 1572268, 1572269, 1572270, 1572271, 1572272, 1572273, 1572274, 1572275 via cif-deposit CGI script. |
1572274.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.