Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7205897
7205896 << 7205897 >> 7205898Preview
|
Coordinates |
7205897.cif |
Structure parameters
| Formula | - C15 H8 Ba O6 - |
| Calculated formula | - C15 H6 Ba O6 - |
| Title of publication | Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting. |
| Authors of publication | Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 17 |
| Pages of publication | 7622 - 7629 |
| a | 6.7676 ± 0.0006 Å |
| b | 7.2311 ± 0.0007 Å |
| c | 14.1591 ± 0.0013 Å |
| α | 82.763 ± 0.002° |
| β | 84.102 ± 0.002° |
| γ | 66.047 ± 0.002° |
| Cell volume | 627.17 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 |
| Hall symmetry space group | P 1 |
| Residual factor for all reflections | 0.0267 |
| Residual factor for observed reflections | 0.0261 |
| Weighted residual factors for the observed reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0687 |
| Goodness-of-fit parameter for observed reflections | 1.054 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |