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Information card for entry 8106774
Preview
| Coordinates | 8106774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 Cl Fe N2 O2 |
|---|---|
| Calculated formula | C20 H20 Cl Fe N2 O2 |
| Title of publication | Crystal structure of chlorido(2,2′-((1E,1′E)-(((1R,2R)-cyclohexane-1,2-diyl)bis(azanylylidene))bis(methylylidene))diphenolato-κ 4 N,N′,O,O′)iron(III), C20H20ClFeN2O2 |
| Authors of publication | Chen, Xia; Xue, Chongchong; Zhang, Daopeng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 25 - 27 |
| a | 8.7346 ± 0.0003 Å |
| b | 15.2594 ± 0.0005 Å |
| c | 13.9586 ± 0.0006 Å |
| α | 90° |
| β | 93.445 ± 0.003° |
| γ | 90° |
| Cell volume | 1857.11 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280879 (current) | 2023-02-14 | cif/ Adding structures of 8106774 via cif-deposit CGI script. |
8106774.cif |
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Users of the data should acknowledge the original authors of the
structural data.