Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1546482
Preview
Coordinates | 1546482.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H150 N8 S2 Si6 U2 |
---|---|
Calculated formula | C66 H150 N8 S2 Si6 U2 |
SMILES | [U]1234([S]5[U]678([S]15)N([Si](C(C)C)(C(C)C)C(C)C)CC[N]8(CCN6[Si](C(C)C)(C(C)C)C(C)C)CCN7[Si](C(C)C)(C(C)C)C(C)C)N([Si](C(C)C)(C(C)C)C(C)C)CC[N]4(CCN3[Si](C(C)C)(C(C)C)C(C)C)CCN2[Si](C(C)C)(C(C)C)C(C)C |
Title of publication | Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange |
Authors of publication | Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 12.9125 ± 0.001 Å |
b | 22.4587 ± 0.0004 Å |
c | 23.3257 ± 0.0018 Å |
α | 90° |
β | 144.194 ± 0.017° |
γ | 90° |
Cell volume | 3957.5 ± 1.7 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0256 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0616 |
Weighted residual factors for all reflections included in the refinement | 0.0619 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1546482.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.