Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1507932
Preview
Coordinates | 1507932.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C77 H100 Cl4 N4 O2 P4 Si4 U2 |
---|---|
Calculated formula | C70 H92 Cl4 N4 O2 P4 Si4 U2 |
SMILES | [U]123(Cl)([Cl][U]45(Cl)([Cl]1)([O]1CCCC1)[N](=P(C5=P(N4[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)([O]1CCCC1)[N](=P(C3=P(N2[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C |
Title of publication | A delocalized arene-bridged diuranium single-molecule magnet. |
Authors of publication | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. |
Journal of publication | Nature chemistry |
Year of publication | 2011 |
Journal volume | 3 |
Journal issue | 6 |
Pages of publication | 454 - 460 |
a | 10.8234 ± 0.0009 Å |
b | 11.895 ± 0.001 Å |
c | 16.7711 ± 0.0014 Å |
α | 91.171 ± 0.002° |
β | 94.744 ± 0.002° |
γ | 101.546 ± 0.002° |
Cell volume | 2106.7 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0544 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.0754 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1507932.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.