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Information card for entry 8105163
Preview
| Coordinates | 8105163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H15 Cl2 Fe N3 O4 |
|---|---|
| Calculated formula | C15 H15 Cl2 Fe N3 O4 |
| Title of publication | Crystal structure of aqua-dichlorido-(4-(((3-ethoxy-2-oxidobenzylidene)hydrazono)(oxido)methyl)pyridin-1-ium-κ3 N,O,O′)iron(III), C15H16Cl2N3O4Fe |
| Authors of publication | Liguo, Yang; Zhen, Zhang; Yongsheng, Niu; Fang, Wang; Dayong, Tian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 3 |
| Pages of publication | 535 - 537 |
| a | 8.7419 ± 0.0015 Å |
| b | 22.717 ± 0.004 Å |
| c | 9.6256 ± 0.0016 Å |
| α | 90° |
| β | 112.546 ± 0.002° |
| γ | 90° |
| Cell volume | 1765.4 ± 0.5 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275096 (current) | 2022-05-06 | cif/ Adding structures of 8105163 via cif-deposit CGI script. |
8105163.cif |
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Users of the data should acknowledge the original authors of the
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