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Information card for entry 4063434
Preview
| Coordinates | 4063434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H48 F3 Fe N2 O3 P3 S |
|---|---|
| Calculated formula | C28 H48 F3 Fe N2 O3 P3 S |
| SMILES | [Fe]12([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[N](=Cc3c1cc(cc3)C(C)(C)C)Cc1[n+](cccc21)C.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Aryl-Containing Pyridine-Imine and Azaallyl Chelates of Iron toward Strong Field Coordination Compounds |
| Authors of publication | Volpe, Emily C.; Wolczanski, Peter T.; Lobkovsky, Emil B. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 364 |
| a | 9.1821 ± 0.0003 Å |
| b | 13.7066 ± 0.0004 Å |
| c | 14.5326 ± 0.0005 Å |
| α | 97.486 ± 0.001° |
| β | 105.873 ± 0.001° |
| γ | 102.504 ± 0.001° |
| Cell volume | 1682.2 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0623 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178529 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/34. |
4063434.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063434.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063434.cif |
| 19489 | 2011-05-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4063434, 4063435, 4063436 via cif-deposit CGI script. |
4063434.cif |
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Users of the data should acknowledge the original authors of the
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