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Information card for entry 2020822
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| Coordinates | 2020822.cif |
|---|---|
| Structure factors | 2020822.hkl |
| Original IUCr paper | HTML |
| Chemical name | {2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}dicarbonylchloridoiron(II) |
|---|---|
| Formula | C20 H34 Cl Fe N O2 P2 |
| Calculated formula | C20 H34 Cl Fe N O2 P2 |
| Title of publication | Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors |
| Authors of publication | Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 569 - 574 |
| a | 13.7917 ± 0.0017 Å |
| b | 14.6349 ± 0.0018 Å |
| c | 11.2225 ± 0.0013 Å |
| α | 90° |
| β | 90.729 ± 0.002° |
| γ | 90° |
| Cell volume | 2265 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120.04 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.306 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199101 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2020820, 2020821, 2020822 via cif-deposit CGI script. |
2020822.cif 2020822.hkl |
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Users of the data should acknowledge the original authors of the
structural data.