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Information card for entry 1548703
Preview
| Coordinates | 1548703.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H26 F12 Fe N8 O2 P2 |
|---|---|
| Calculated formula | C29 H26 F12 Fe N8 O2 P2 |
| SMILES | [Fe]123([n]4c(N5C=2N(C=C5)C(N2C=3N(C=C2)c2[n]1cccc2)COC(=O)c1ccccc1)cccc4)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis, characterization and derivatization of hydroxyl-functionalized iron(ii) bis(NHC) complexes. |
| Authors of publication | Lindhorst, Anja C.; Kaspar, Manuel; Altmann, Philipp J.; Pöthig, Alexander; Kühn, Fritz E |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 6 |
| Pages of publication | 1857 - 1867 |
| a | 9.917 ± 0.002 Å |
| b | 10.983 ± 0.003 Å |
| c | 16.365 ± 0.003 Å |
| α | 98.138 ± 0.009° |
| β | 92.42 ± 0.009° |
| γ | 105.842 ± 0.009° |
| Cell volume | 1691.4 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229586 (current) | 2019-11-17 | cif/ Updating files of 1548703, 1548704, 1548705, 1548706, 1548707 Original log message: Adding full bibliography for 1548703--1548707.cif. |
1548703.cif |
| 211179 | 2018-09-26 | cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces. |
1548703.cif |
| 205295 | 2018-01-17 | cif/ Adding structures of 1548703, 1548704, 1548705, 1548706, 1548707 via cif-deposit CGI script. |
1548703.cif |
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Users of the data should acknowledge the original authors of the
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