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Information card for entry 2107482
Preview
| Coordinates | 2107482.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C46 H55 Cl2 Fe N3 O5 P2 |
|---|---|
| Calculated formula | C46 H55 Cl2 Fe N3 O5 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 | 9.3389 ± 0.0007 Å |
| b | 10.3155 ± 0.0008 Å |
| c | 24.3224 ± 0.0018 Å |
| α | 96.277 ± 0.003° |
| β | 92.393 ± 0.003° |
| γ | 90.009 ± 0.002° |
| Cell volume | 2327 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.76 |
| Diffraction radiation wavelength | 0.71069 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. |
2107482.cif |
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Users of the data should acknowledge the original authors of the
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