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Information card for entry 1558823
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| Coordinates | 1558823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Na0.5Fe2(bdp)3 |
|---|---|
| Chemical name | Na0.5Fe2(bdp)3 |
| Formula | C36 H24 Fe2 N12 Na0.51 |
| Calculated formula | C36 H24 Fe2 N12 Na0.492 |
| Title of publication | Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion |
| Authors of publication | Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 7.0813 ± 0.0016 Å |
| b | 26.493 ± 0.007 Å |
| c | 45.483 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8533 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.158 |
| Weighted residual factors for all reflections included in the refinement | 0.1677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.7288 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255227 (current) | 2020-08-11 | cif/ Adding structures of 1558822, 1558823, 1558824, 1558825, 1558826 via cif-deposit CGI script. |
1558823.cif |
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Users of the data should acknowledge the original authors of the
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