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Information card for entry 1542320
Preview
| Coordinates | 1542320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C85 H121.5 Fe2 N3.5 O6 |
|---|---|
| Calculated formula | C85 H121.5 Fe2 N3.5 O6 |
| Title of publication | Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand |
| Authors of publication | Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 2 |
| Pages of publication | 1594 |
| a | 15.518 ± 0.001 Å |
| b | 20.0893 ± 0.0013 Å |
| c | 26.9179 ± 0.0018 Å |
| α | 90° |
| β | 104.175 ± 0.0009° |
| γ | 90° |
| Cell volume | 8136 ± 0.9 Å3 |
| Cell temperature | 88 ± 2 K |
| Ambient diffraction temperature | 88 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175138 (current) | 2016-01-27 | cif/ Adding structures of 1542320, 1542321, 1542322 via cif-deposit CGI script. |
1542320.cif |
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Users of the data should acknowledge the original authors of the
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