Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052044
Preview
Coordinates | 7052044.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H72 Cl2 O4 Yb2 |
---|---|
Calculated formula | C40 H72 Cl2 O4 Yb2 |
SMILES | [cH]12[c]3(C(C)(C)C)[Yb]45671([O](C)CC[O]4[Yb]1489%10([c]%11([c]1([cH]4[c]9([cH]%10%11)C(C)(C)C)C(C)(C)C)C(C)(C)C)([O](C)CC[O]78)Cl)(Cl)[c]([c]25C(C)(C)C)([cH]36)C(C)(C)C |
Title of publication | Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions |
Authors of publication | Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann |
Journal of publication | New Journal of Chemistry |
Year of publication | 2007 |
Journal volume | 31 |
Journal issue | 2 |
Pages of publication | 305 |
a | 16.2836 ± 0.0011 Å |
b | 16.2836 ± 0.0011 Å |
c | 16.2836 ± 0.0011 Å |
α | 109.604 ± 0.007° |
β | 109.604 ± 0.007° |
γ | 109.604 ± 0.007° |
Cell volume | 3307.3 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :R |
Hall space group symbol | -P 3* |
Residual factor for all reflections | 0.0483 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.0842 |
Weighted residual factors for all reflections included in the refinement | 0.0871 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
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/7052044.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.