Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4340677
Preview
| Coordinates | 4340677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H66 N4 Si7 U |
|---|---|
| Calculated formula | C22 H66 N4 Si7 U |
| SMILES | [U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C |
| Title of publication | Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds. |
| Authors of publication | Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 17 |
| Pages of publication | 9129 - 9139 |
| a | 18.005 ± 0.0008 Å |
| b | 12.6438 ± 0.0005 Å |
| c | 17.3269 ± 0.0007 Å |
| α | 90° |
| β | 103.728 ± 0.002° |
| γ | 90° |
| Cell volume | 3831.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0177 |
| Residual factor for significantly intense reflections | 0.0141 |
| Weighted residual factors for significantly intense reflections | 0.0318 |
| Weighted residual factors for all reflections included in the refinement | 0.0332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4340677.cif |
| 179509 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06. |
4340677.cif |
| 122938 | 2014-09-06 | cif/ Updating files of 4340671, 4340672, 4340673, 4340674, 4340675, 4340676, 4340677, 4340678, 4340679, 4340680 Original log message: Adding full bibliography for 4340671--4340680.cif. |
4340677.cif |
| 121999 | 2014-08-18 | cif/ Adding structures of 4340671, 4340672, 4340673, 4340674, 4340675, 4340676, 4340677, 4340678, 4340679, 4340680 via cif-deposit CGI script. |
4340677.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.