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Information card for entry 7011498
Preview
| Coordinates | 7011498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C103 H146 Cl2 Fe2 N6 O6 |
|---|---|
| Calculated formula | C103 H146 Cl2 Fe2 N6 O6 |
| Title of publication | Phenoxyl radical FeIII complex of cis,cis-1,3,5-tris(3',5'-di-tert-butylsalicylaldimino)cyclohexane, spectro-electrochemical and structural studies |
| Authors of publication | Alison K. Nairn; Rajiv Bhalla; Simon P. Foxon; Xiaoming Liu; Lesley J. Yellowlees; Bruce C. Gilbert; Paul H. Walton |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 7 |
| Pages of publication | 1253 - 1255 |
| a | 16.709 ± 0.018 Å |
| b | 19.77 ± 0.02 Å |
| c | 16.444 ± 0.012 Å |
| α | 92.62 ± 0.08° |
| β | 108.58 ± 0.06° |
| γ | 101.36 ± 0.08° |
| Cell volume | 5014 ± 9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3183 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.2111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011498.cif |
| 179818 | 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 7/01/14. |
7011498.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7011498.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011498.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011498.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011498.cif |
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