Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7115313
Preview
Coordinates | 7115313.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H72 N3 O2 Se2 U |
---|---|
Calculated formula | C61 H72 N3 O2 Se2 U |
SMILES | [U]123456([Se]c7ccccc7)([Se]c7ccccc7)([N](=C(C)c7[n]1c(ccc7)C(=[N]2c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)[cH]1[cH]3[c]4([cH]5[cH]61)C(C)(C)c1ccccc1.O1CCCC1.O1CCCC1 |
Title of publication | Utility of a redox-active pyridine(diimine) chelate in facilitating two electron oxidative addition chemistry at uranium |
Authors of publication | John J. Kiernicki; Phillip E. Fanwick; Suzanne C. Bart |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 8189 |
a | 11.7186 ± 0.0002 Å |
b | 26.9121 ± 0.0004 Å |
c | 17.5708 ± 0.0003 Å |
α | 90° |
β | 100.642 ± 0.001° |
γ | 90° |
Cell volume | 5446.03 ± 0.16 Å3 |
Cell temperature | 150 ± 0.02 K |
Ambient diffraction temperature | 150 ± 0.02 K |
Number of distinct elements | 6 |
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 | 0.085 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.064 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MO-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7115313.html
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.