Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4314233
Preview
Coordinates | 4314233.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H45 I3 N11 U |
---|---|
Calculated formula | C42 H36 I3 N11 U |
SMILES | [U]123456([n]7c(C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)cccc7)[n]1c(C[N]6(Cc2[n]4cccc2)Cc2[n]5cccc2)cccc1.[I-].[I-].[I-].N#CC.N#CC.N#CC |
Title of publication | Oxidation Chemistry of Uranium(III) Complexes of Tpa: Synthesis and Structural Studies of Oxo, Hydroxo, and Alkoxo Complexes of Uranium(IV) |
Authors of publication | Lydia Karmazin; Marinella Mazzanti; Jacques Pécaut |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 5900 - 5908 |
a | 11.9513 ± 0.0007 Å |
b | 18.0311 ± 0.0011 Å |
c | 22.2178 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4787.8 ± 0.5 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0434 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0746 |
Weighted residual factors for all reflections included in the refinement | 0.078 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/4314233.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.