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Information card for entry 7009744
Preview
| Coordinates | 7009744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 Fe N14 O6 |
|---|---|
| Calculated formula | C20 H20 Fe N14 O6 |
| SMILES | [Fe]1234([n]5cccn5C(n5ccc[n]15)n1ccc[n]31)[n]1cccn1C(n1ccc[n]21)n1ccc[n]41.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Structures and spectra of bis-tripodal iron(II) chelates, [FeL2]2+, where L = tris(pyrazol-1-yl)methane, tris(pyridin-2-yl)methane, bis(pyrazol-1-yl)(pyridin-2-yl)methane and tris(pyridin-2-yl)phosphine oxide. Magnetism and spin crossover in the (pz)3CH case |
| Authors of publication | Anderson, Peter A.; Astley, Timothy; Hitchman, Michael A.; Keene, F. Richard; Moubaraki, Boujemaa; Murray, Keith S.; Skelton, Brian W.; Tiekink, Edward R. T.; Toftlund, Hans; White, Allan H. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 20 |
| Pages of publication | 3505 |
| a | 7.739 ± 0.004 Å |
| b | 9.969 ± 0.001 Å |
| c | 16.321 ± 0.002 Å |
| α | 90° |
| β | 104.21 ± 0.03° |
| γ | 90° |
| Cell volume | 1220.6 ± 0.7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.045 |
| Goodness-of-fit parameter for all reflections | 1.421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.586 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7009744.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009744.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009744.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009744.cif |
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