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CIF Information Card
Information card for 3500001
3500000 << 3500001 >> 3500002Preview
|
Coordinates |
3500001.cif |
|
Structure factors |
3500001.hkl |
Structure parameters
| Formula | - C18 H38 Fe N8 O18 - |
| Calculated formula | - C18 H38 Fe N8 O18 - |
| Authors of publication | Miguel Quirós; Juan M. Salas |
| Journal of publication | Personal communication to COD |
| Year of publication | 2011 |
| a | 8.172 ± 0.001 Å |
| b | 9.1441 ± 0.0006 Å |
| c | 11.945 ± 0.002 Å |
| α | 105.26 ± 0.01° |
| β | 95.1 ± 0.01° |
| γ | 115.58 ± 0.01° |
| Cell volume | 755.39 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0425 |
| Residual factor for observed reflections | 0.0391 |
| Weighted residual factors for the observed reflections | 0.1296 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for observed reflections | 1.596 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |