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Information card for entry 7012373
Preview
| Coordinates | 7012373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [(MesNPPh2CHPPh2NMes)FeCl2Li(thf)(ET2O)] |
|---|---|
| Formula | C51 H61 Cl2 Fe Li N2 O2 P2 |
| Calculated formula | C51 H61 Cl2 Fe Li N2 O2 P2 |
| SMILES | [Fe]13([Cl][Li]([Cl]1)([O]1CCCC1)[O](CC)CC)[N](=P(C=P(N3c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C |
| Title of publication | Tuning low-coordinate metal environments: high spin d5‒d7 complexes supported by bis(phosphinimino)methyl ligation |
| Authors of publication | Evans, David J.; Hill, Michael S.; Hitchcock, Peter B. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 4 |
| Pages of publication | 570 |
| a | 12.814 ± 0.0012 Å |
| b | 13.1172 ± 0.0007 Å |
| c | 16.2526 ± 0.0016 Å |
| α | 91.262 ± 0.006° |
| β | 101.066 ± 0.004° |
| γ | 117.249 ± 0.005° |
| Cell volume | 2364.5 ± 0.4 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 | 0.0796 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179827 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/23. |
7012373.cif |
| 171654 | 2015-12-20 | cod/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries in ranges 7, 8. |
7012373.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012373.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012373.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012373.cif |
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