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Information card for entry 4345327
Preview
| Coordinates | 4345327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 Fe N2 O4 |
|---|---|
| Calculated formula | C12 H8 Fe N2 O4 |
| Title of publication | Incorporation of Pyrazine and Bipyridine Linkers with High-Spin Fe(II) and Co(II) in a Metal-Organic Framework. |
| Authors of publication | Kawamura, Airi; Greenwood, Arin R.; Filatov, Alexander S.; Gallagher, Audrey T.; Galli, Giulia; Anderson, John S. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 3349 - 3356 |
| a | 24.644 ± 0.002 Å |
| b | 24.644 ± 0.002 Å |
| c | 7.1068 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3737.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 175 |
| Hermann-Mauguin space group symbol | P 6/m |
| Hall space group symbol | -P 6 |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1645 |
| Weighted residual factors for all reflections included in the refinement | 0.1699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194818 (current) | 2017-04-04 | cif/ Updating files of 4345327 Original log message: Adding full bibliography for 4345327.cif. |
4345327.cif |
| 192870 | 2017-03-04 | cif/ Adding structures of 4345327 via cif-deposit CGI script. |
4345327.cif |
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Users of the data should acknowledge the original authors of the
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