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Information card for entry 1556531
Preview
| Coordinates | 1556531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H54 B4 F16 Fe2 N20 O3 |
|---|---|
| Calculated formula | C64 H54 B4 F16 Fe2 N20 O3 |
| Title of publication | Investigation of the Spin Crossover Properties of Three Dinulear Fe(II) Triple Helicates by Variation of the Steric Nature of the Ligand Type |
| Authors of publication | Craze, A.R.; Sciortino, N.F.; Badbhade, M.M.; Kepert, C.J.; Marjo, C.E.; Li, F. |
| Journal of publication | Inorganics |
| Year of publication | 2017 |
| Journal volume | 5 |
| Pages of publication | 62 |
| a | 13.837 ± 0.003 Å |
| b | 13.855 ± 0.003 Å |
| c | 20.684 ± 0.004 Å |
| α | 77.43 ± 0.03° |
| β | 77.58 ± 0.03° |
| γ | 86.73 ± 0.03° |
| Cell volume | 3779.5 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1966 |
| Weighted residual factors for all reflections included in the refinement | 0.2111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245019 (current) | 2019-12-12 | cif/ Adding structures of 1556531 via cif-deposit CGI script. |
1556531.cif |
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Users of the data should acknowledge the original authors of the
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