Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037488
Preview
Coordinates | 7037488.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H80 Mg2 O9 |
---|---|
Calculated formula | C48 H80 Mg2 O9 |
SMILES | [Mg]12([O](c3c(O1)c(ccc3C(C)(C)C)C(C)(C)C)[Mg]1([O]2c2c(ccc(c2O1)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1 |
Title of publication | Cooperative reduction by Ln(2+) and Cp*(-) ions: synthesis and properties of Sm, Eu, and Yb complexes with 3,6-di-tert-butyl-o-benzoquinone. |
Authors of publication | Pushkarevsky, Nikolay A.; Ogienko, Mikhail A.; Smolentsev, Anton I.; Novozhilov, Igor N.; Witt, Alexander; Khusniyarov, Marat M.; Cherkasov, Vladimir K.; Konchenko, Sergey N. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 3 |
Pages of publication | 1269 - 1278 |
a | 21.057 ± 0.0008 Å |
b | 12.0413 ± 0.0005 Å |
c | 19.0031 ± 0.0006 Å |
α | 90° |
β | 95.75 ± 0.001° |
γ | 90° |
Cell volume | 4794.1 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1039 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1303 |
Weighted residual factors for all reflections included in the refinement | 0.1438 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/7037488.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.