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Information card for entry 4112103
Preview
| Coordinates | 4112103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H132 Al4 Cl2 Fe2 N6 |
|---|---|
| Calculated formula | C92 H132 Al4 Cl2 Fe2 N6 |
| Title of publication | Formation of a Paramagnetic Al Complex and Extrusion of Fe during the Reaction of (Diiminepyridine)Fe with AlR3 (R = Me, Et) |
| Authors of publication | Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Quinten Knijnenburg; Bas de Bruin; Peter H. M. Budzelaar |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Pages of publication | 17204 - 17206 |
| a | 10.676 ± 0.004 Å |
| b | 19.708 ± 0.007 Å |
| c | 21.15 ± 0.007 Å |
| α | 82.262 ± 0.006° |
| β | 89.088 ± 0.006° |
| γ | 87.984 ± 0.006° |
| Cell volume | 4406 ± 3 Å3 |
| Cell temperature | 207 ± 2 K |
| Ambient diffraction temperature | 207 ± 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 | 0.1016 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.166 |
| Weighted residual factors for all reflections included in the refinement | 0.188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178892 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/21. |
4112103.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4112103.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112103.cif |
| 63724 | 2012-08-06 | cif/ Adding structures of 4112103 via cif-deposit CGI script. |
4112103.cif |
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