Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557110
Preview
| Coordinates | 1557110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | UImNHC |
|---|---|
| Formula | C73 H92 N5 O2 U |
| Calculated formula | C73 H92 N5 O2 U |
| SMILES | [U]1234567(N(c8c(C(C)C)cccc8C(C)C)c8ccccc8[c]82[cH]3[cH]4[c]5([cH]6[cH]78)c2ccccc2N1c1c(C(C)C)cccc1C(C)C)N=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.O(C)CCOC |
| Title of publication | Intra- and intermolecular interception of a photochemically generated terminal uranium nitride |
| Authors of publication | Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 9 |
| Pages of publication | 2381 - 2387 |
| a | 13.2857 ± 0.0009 Å |
| b | 13.9411 ± 0.0008 Å |
| c | 20.5686 ± 0.0015 Å |
| α | 103.573 ± 0.002° |
| β | 95.666 ± 0.003° |
| γ | 116.252 ± 0.002° |
| Cell volume | 3230.4 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 99.98 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557110.cif |
| 257368 | 2020-10-06 | cif/ Updating files of 1557110, 1557111, 1557112, 1557113, 1557114 Original log message: Adding full bibliography for 1557110--1557114.cif. |
1557110.cif |
| 250241 | 2020-04-05 | cif/ Updating files of 1557110, 1557111, 1557112, 1557113, 1557114 Original log message: Adding full bibliography for 1557110--1557114.cif. |
1557110.cif |
| 247102 | 2020-01-23 | cif/ Adding structures of 1557110, 1557111, 1557112, 1557113, 1557114 via cif-deposit CGI script. |
1557110.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.