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CIF Information Card
Information card for 4114574
4114573 << 4114574 >> 4114575Preview
|
Coordinates |
4114574.cif |
Structure parameters
| Common name | Fe(phen)2(NCS)2 |
| Formula | - C13 H8 Fe0.5 N3 S - |
| Calculated formula | - C13 H8 Fe0.5 N3 S - |
| Title of publication | Structural Characterization of a Photoinduced Molecular Switch |
| Authors of publication | Mathieu Marchivie; Philippe Guionneau; Judith A. K. Howard; Guillaume Chastanet; Jean-François Létard; Andres E. Goeta; Daniel Chasseau |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 194 - 195 |
| a | 13.121 ± 0.003 Å |
| b | 9.954 ± 0.003 Å |
| c | 17.163 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2241.6 ± 1 Å3 |
| Cell temperature | 30 ± 2 K |
| Ambient diffraction temperature | 30 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P b c n |
| Hall symmetry space group | -P 2n 2ab |
| Residual factor for all reflections | 0.0843 |
| Residual factor for observed reflections | 0.0602 |
| Weighted residual factors for the observed reflections | 0.1335 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for observed reflections | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |