Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7101815
7101814 << 7101815 >> 7101816Preview
|
Coordinates |
7101815.cif |
Structure parameters
| Formula | - C26 H63.84 Cl2 Cu2 Fe K0.08 N14 O3.92 - |
| Calculated formula | - C26 H48 Cl2 Cu2 Fe K0.32 N14 O3.68 - |
| Title of publication | 57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O. |
| Authors of publication | Mukhopadhyay, Uday; Grunert, C Matthias; Kusz, Joachim; Reiman, Sergey; Gütlich, P; Bernal, Ivan |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 14 |
| Pages of publication | 1444 - 1446 |
| a | 9.791 ± 0.002 Å |
| b | 14.033 ± 0.005 Å |
| c | 14.675 ± 0.002 Å |
| α | 90° |
| β | 104.16 ± 0.02° |
| γ | 90° |
| Cell volume | 1955 ± 0.9 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 8 |
| Hermann-Mauguin symmetry space group | I 1 2/m 1 |
| Hall symmetry space group | -I 2y |
| Residual factor for all reflections | 0.088 |
| Residual factor for observed reflections | 0.0552 |
| Weighted residual factors for the observed reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.1519 |
| Goodness-of-fit parameter for observed reflections | 1.209 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |