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CIF Information Card
Information card for 7101808
7101807 << 7101808 >> 7101809Preview
|
Coordinates |
7101808.cif |
Structure parameters
| Formula | - C148 H210 B8 Cl4 Cr8 Cu6 N72 O42 - |
| Calculated formula | - C159 H80 B8 Cl3 Cr8 Cu6 N72 O28.5 - |
| Title of publication | Linkage isomerism in a face-centered cubic Cu6Cr8(CN)24 cluster with an S=15 ground state. |
| Authors of publication | Harris, T David; Long, Jeffrey R |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 13 |
| Pages of publication | 1360 - 1362 |
| a | 34.9941 ± 0.0014 Å |
| b | 34.9941 ± 0.0014 Å |
| c | 34.9941 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 42853 ± 3 Å3 |
| Cell temperature | 160 K |
| Ambient diffraction temperature | 160 K |
| Number of distinct elements | 8 |
| Hermann-Mauguin symmetry space group | F -4 3 c |
| Hall symmetry space group | F -4a 2 3 |
| Residual factor for all reflections | 0.1254 |
| Residual factor for observed reflections | 0.0703 |
| Weighted residual factors for the observed reflections | 0.1897 |
| Weighted residual factors for all reflections included in the refinement | 0.2459 |
| Goodness-of-fit parameter for observed reflections | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |