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Information card for entry 1550978
Preview
| Coordinates | 1550978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C187.23 H315.27 B8 Fe4 K4 N20 O11.62 |
|---|---|
| Calculated formula | C187.232 H315.272 B8 Fe4 K4 N20 O11.616 |
| Title of publication | Tuning ligand field strength with pendent Lewis acids: access to high spin iron hydrides |
| Authors of publication | Kiernicki, John J.; Shanahan, James P.; Zeller, Matthias; Szymczak, Nathaniel K. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 26.45 ± 0.002 Å |
| b | 26.45 ± 0.002 Å |
| c | 20.941 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14650 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 122 |
| Hermann-Mauguin space group symbol | I -4 2 d |
| Hall space group symbol | I -4 2bw |
| Residual factor for all reflections | 0.1321 |
| Residual factor for significantly intense reflections | 0.0935 |
| Weighted residual factors for significantly intense reflections | 0.2427 |
| Weighted residual factors for all reflections included in the refinement | 0.3014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214979 (current) | 2019-05-08 | cif/ Adding structures of 1550971, 1550972, 1550973, 1550974, 1550975, 1550976, 1550977, 1550978, 1550979, 1550980, 1550981, 1550982, 1550983, 1550984 via cif-deposit CGI script. |
1550978.cif |
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Users of the data should acknowledge the original authors of the
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