Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4107686
Preview
Coordinates | 4107686.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H73 Br N U |
---|---|
Calculated formula | C38 H59 Br N U |
SMILES | [U]12345678(Br)(=Nc9c(cc(cc9C(C)(C)C)C(C)(C)C)C(C)(C)C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C |
Title of publication | Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding |
Authors of publication | Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 5272 - 5285 |
a | 11.24 ± 0.002 Å |
b | 13.272 ± 0.003 Å |
c | 13.89 ± 0.003 Å |
α | 88.584 ± 0.003° |
β | 86.627 ± 0.003° |
γ | 74.635 ± 0.003° |
Cell volume | 1994.5 ± 0.7 Å3 |
Cell temperature | 141 ± 2 K |
Ambient diffraction temperature | 141 ± 2 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 | 0.0683 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.1 |
Weighted residual factors for all reflections included in the refinement | 0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
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/4107686.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.