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CIF Information Card
Information card for 7101807
7101806 << 7101807 >> 7101808Preview
|
Coordinates |
7101807.cif |
Structure parameters
| Formula | - C28 H52 B Cr N10 O3 - |
| Calculated formula | - C28 H37 B Cr N10 O2.9 - |
| 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 | 11.193 ± 0.002 Å |
| b | 11.258 ± 0.002 Å |
| c | 16.324 ± 0.003 Å |
| α | 76.275 ± 0.003° |
| β | 87.493 ± 0.003° |
| γ | 60.506 ± 0.003° |
| Cell volume | 1732.8 ± 0.6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0887 |
| Residual factor for observed reflections | 0.0622 |
| Weighted residual factors for the observed reflections | 0.1651 |
| Weighted residual factors for all reflections included in the refinement | 0.1821 |
| Goodness-of-fit parameter for observed reflections | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |