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Information card for entry 2107480
Preview
| Coordinates | 2107480.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C23 H41 Fe N3 O2 P2 |
|---|---|
| Calculated formula | C23 H40.9998 Fe N3 O2 P2 |
| Title of publication | Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory |
| Authors of publication | Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | 524 - 534 |
| a | 31.781 ± 0.003 Å |
| b | 18.012 ± 0.005 Å |
| c | 18.262 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90.004 ± 0.002° |
| Cell volume | 10454 ± 4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 1 21/b |
| Hall space group symbol | -P 2bc |
| Residual factor for all reflections | 0.0818 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.87 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178107 (current) | 2016-03-11 | cif/ hkl/ Adding structures of 2107480, 2107481, 2107482 via cif-deposit CGI script. |
2107480.cif |
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Users of the data should acknowledge the original authors of the
structural data.