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Information card for entry 1540749
Preview
| Coordinates | 1540749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Ph4P)2[Fe(dmit)2](MeCN) |
|---|---|
| Formula | C56 H43 Fe N P2 S10 |
| Calculated formula | C56 H43 Fe N P2 S10 |
| Title of publication | A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation |
| Authors of publication | Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 416 |
| a | 9.5532 ± 0.0003 Å |
| b | 16.9392 ± 0.0006 Å |
| c | 19.2199 ± 0.0007 Å |
| α | 64.7735 ± 0.0007° |
| β | 78.6184 ± 0.0008° |
| γ | 78.0782 ± 0.0008° |
| Cell volume | 2731.85 ± 0.16 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0574 |
| Weighted residual factors for all reflections included in the refinement | 0.0611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171864 (current) | 2016-01-01 | cif/ Adding structures of 1540748, 1540749, 1540750 via cif-deposit CGI script. |
1540749.cif |
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Users of the data should acknowledge the original authors of the
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