Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2007487
Preview
| Coordinates | 2007487.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis(dichlorodimethyltin^.^3-methyl-4-nitropyridine N-oxide) |
|---|---|
| Formula | C8 H12 Cl2 N2 O3 Sn |
| Calculated formula | C8 H12 Cl2 N2 O3 Sn |
| SMILES | C[Sn]([O]=n1ccc(c(c1)C)N(=O)=O)(Cl)(C)Cl |
| Title of publication | Di-μ-chloro-bis[chlorodimethyl(3-methyl-4-nitropyridine <i>N</i>-oxide-<i>O</i>)tin] |
| Authors of publication | Lim, Hock Chuan; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 7 |
| Pages of publication | 939 - 941 |
| a | 9.9216 ± 0.0006 Å |
| b | 11.2148 ± 0.0006 Å |
| c | 12.1991 ± 0.0007 Å |
| α | 90° |
| β | 105.558 ± 0.005° |
| γ | 90° |
| Cell volume | 1307.64 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for all reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Goodness-of-fit parameter for all reflections | 1.009 |
| Goodness-of-fit parameter for significantly intense reflections | 1.045 |
| 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/2007487.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.