Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4080612
Preview
Coordinates | 4080612.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H30 Ge2 |
---|---|
Calculated formula | C24 H30 Ge2 |
SMILES | [Ge]([Ge](C(C)(C)C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Substituent Effects in Digermanes: Electrochemical, Theoretical, and Structural Investigations |
Authors of publication | Schrick, Erin K.; Forget, Trevor J.; Roewe, Kimberly D.; Schrick, Aaron C.; Moore, Curtis E.; Golen, James A.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 7 |
Pages of publication | 2245 |
a | 8.2473 ± 0.0008 Å |
b | 9.8391 ± 0.001 Å |
c | 15.0469 ± 0.0013 Å |
α | 87.343 ± 0.005° |
β | 85.481 ± 0.005° |
γ | 65.243 ± 0.005° |
Cell volume | 1105.21 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0293 |
Residual factor for significantly intense reflections | 0.0222 |
Weighted residual factors for significantly intense reflections | 0.0518 |
Weighted residual factors for all reflections included in the refinement | 0.0544 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/4080612.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.