Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2015273
2015272 << 2015273 >> 2015274Preview
|
Coordinates |
2015273.cif |
|
Structure factors |
2015273.hkl |
|
Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 2,2'-bipyridinium thiocyanate |
| Formula | - C11 H9 N3 S - |
| Calculated formula | - C11 H9 N3 S - |
| Title of publication | Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate |
| Authors of publication | Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o165 - o169 |
| a | 8.0954 ± 0.0002 Å |
| b | 11.7686 ± 0.0006 Å |
| c | 11.0026 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1048.23 ± 0.08 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P c a 21 |
| Hall symmetry space group | P 2c -2ac |
| Residual factor for all reflections | 0.0348 |
| Residual factor for observed reflections | 0.0307 |
| Weighted residual factors for the observed reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for observed reflections | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |