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CIF Information Card
Information card for 7101687
7101686 << 7101687 >> 7101688Preview
|
Coordinates |
7101687.cif |
Structure parameters
| Common name | Bis(2,6-di(4-chloropyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate |
| Chemical name | Bis[2,6-di(4-chloropyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate |
| Formula | - C22 H14 B2 Cl4 F8 Fe N10 - |
| Calculated formula | - C22 H14 B1.98 Cl4 F7.92 Fe N10 - |
| Title of publication | Iron(II) complexes with a terpyridine embrace packing motif show remarkably consistent cooperative spin-transitions. |
| Authors of publication | Pritchard, Ruth; Kilner, Colin A; Halcrow, Malcolm A |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 6 |
| Pages of publication | 577 - 579 |
| a | 9.6268 ± 0.0003 Å |
| b | 9.6508 ± 0.0003 Å |
| c | 16.5051 ± 0.0005 Å |
| α | 90° |
| β | 90.7285 ± 0.0012° |
| γ | 90° |
| Cell volume | 1533.3 ± 0.08 Å3 |
| Cell temperature | 202 ± 2 K |
| Ambient diffraction temperature | 202 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.0791 |
| Residual factor for observed reflections | 0.0742 |
| Weighted residual factors for the observed reflections | 0.2038 |
| Weighted residual factors for all reflections included in the refinement | 0.2069 |
| Goodness-of-fit parameter for observed reflections | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |