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Information card for entry 1548528
Preview
| Coordinates | 1548528.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H35 Cl2 Fe N3 P2 |
|---|---|
| Calculated formula | C33 H35 Cl2 Fe N3 P2 |
| Title of publication | Synthesis and reactivity of BINEPINE-based chiral Fe(II) PNP pincer complexes |
| Authors of publication | Christian Schroder-Holzhacker; Nikolaus Gorgas; Berthold Stoger; Karl Kirchner |
| Journal of publication | Monatshefte Fur Chemie |
| Year of publication | 2016 |
| Journal volume | 147 |
| Pages of publication | 1023 - 1030 |
| a | 24.1896 ± 0.0007 Å |
| b | 24.1896 ± 0.0007 Å |
| c | 28.4068 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16621.9 ± 1.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :1 |
| Hall space group symbol | I 4bw -1bw |
| Residual factor for all reflections | 0.098 |
| Residual factor for significantly intense reflections | 0.0763 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for significantly intense reflections | 4.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.5 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204448 (current) | 2017-12-21 | cif/ Adding structures of 1548528 via cif-deposit CGI script. |
1548528.cif |
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