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Information card for entry 7056213
Preview
| Coordinates | 7056213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H31 Fe N6 O2 |
|---|---|
| Calculated formula | C32 H31 Fe N6 O2 |
| SMILES | [Fe]1234(Oc5cc(ccc5C(=[N]2CC[NH]3CC[N]4=C(c2ccccc2)c2ccc(cc2O1)C)c1ccccc1)C)N=N#N |
| Title of publication | Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones |
| Authors of publication | Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 18.7577 ± 0.0005 Å |
| b | 18.8838 ± 0.0006 Å |
| c | 16.1938 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5736.1 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0468 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.0717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.878 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196896 (current) | 2017-05-23 | cif/ Adding structures of 7056210, 7056211, 7056212, 7056213, 7056214, 7056215, 7056216, 7056217, 7056218 via cif-deposit CGI script. |
7056213.cif |
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Users of the data should acknowledge the original authors of the
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