Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070319
Preview
Coordinates | 4070319.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H84 Al2 La2 |
---|---|
Calculated formula | C48 H84 Al2 La2 |
SMILES | C[c]12[c]3([La]456789%101([c]1([c]7([c]6([c]5([c]41C)C)C)C)C)([c]3([c]9([c]28C)C)C)[CH3][Al]([CH3][La]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)[CH3][Al]([CH3]%10)(C)C)(C)C)C |
Title of publication | Tetramethylaluminate and Tetramethylgallate Coordination in Rare-Earth Metal Half-Sandwich and Metallocene Complexes |
Authors of publication | Dietrich, H. Martin; Törnroos, Karl W.; Herdtweck, Eberhardt; Anwander, Reiner |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 23 |
Pages of publication | 6739 |
a | 10.4447 ± 0.0004 Å |
b | 17.4548 ± 0.0007 Å |
c | 14.1693 ± 0.0006 Å |
α | 90° |
β | 92.825 ± 0.001° |
γ | 90° |
Cell volume | 2580.07 ± 0.18 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0261 |
Residual factor for significantly intense reflections | 0.0179 |
Weighted residual factors for significantly intense reflections | 0.0403 |
Weighted residual factors for all reflections included in the refinement | 0.0439 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/4070319.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.