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CIF Information Card
Information card for 7015447
7015446 << 7015447 >> 7015448Preview
|
Coordinates |
7015447.cif |
Structure parameters
| Formula | - C54 H88 Fe6 N6 O24 S2 - |
| Calculated formula | - C54 H88 Fe6 N6 O24 S2 - |
| Title of publication | Hexa- and octanuclear iron(III) salicylaldoxime clusters. |
| Authors of publication | Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 12 |
| Pages of publication | 2875 - 2881 |
| a | 20.4582 ± 0.0004 Å |
| b | 14.4149 ± 0.0003 Å |
| c | 22.6752 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6687 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P b c a |
| Hall symmetry space group | -P 2ac 2ab |
| Residual factor for all reflections | 0.0881 |
| Residual factor for observed reflections | 0.0826 |
| Weighted residual factors for the observed reflections | 0.1526 |
| Weighted residual factors for all reflections included in the refinement | 0.1547 |
| Goodness-of-fit parameter for observed reflections | 1.362 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |