Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2004209
Preview
Coordinates | 2004209.cif |
---|---|
Original IUCr paper | HTML |
Common name | Tribenzyltin acetate |
---|---|
Chemical name | Tribenzyltin acetate |
Formula | C23 H24 O2 Sn |
Calculated formula | C23 H24 O2 Sn |
SMILES | O([Sn](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(=O)C |
Title of publication | Tribenzyltin Acetate, a Redetermination |
Authors of publication | Ferguson, G.; Spalding, T. R.; O'Dowd, A. T.; O'Shea, K. C. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 12 |
Pages of publication | 2546 - 2548 |
a | 11.3031 ± 0.0008 Å |
b | 10.9569 ± 0.0012 Å |
c | 16.7039 ± 0.0014 Å |
α | 90° |
β | 105.644 ± 0.006° |
γ | 90° |
Cell volume | 1992.1 ± 0.3 Å3 |
Cell temperature | 294 ± 1 K |
Ambient diffraction temperature | 294 ± 1 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 | 0.0382 |
Residual factor for significantly intense reflections | 0.0261 |
Weighted residual factors for all reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.0693 |
Goodness-of-fit parameter for all reflections | 1.068 |
Goodness-of-fit parameter for significantly intense reflections | 1.153 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MolybdenumKα |
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/2004209.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.