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Information card for entry 4338668
Preview
| Coordinates | 4338668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94.5 H107 Al1.5 Cl5.5 Cr6 N8 O0 P4 |
|---|---|
| Calculated formula | C94.5 H107 Al1.5 Cl5.5 Cr6 N8 P4 |
| Title of publication | Isolation of a hexanuclear chromium cluster with a tetrahedral hydridic core and its catalytic behavior for ethylene oligomerization. |
| Authors of publication | Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia; Murugesu, Muralee; Le Roy, Jennifer J. H.; Budzelaar, Peter H. M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 12 |
| Pages of publication | 6073 - 6081 |
| a | 38.3455 ± 0.0011 Å |
| b | 11.3143 ± 0.0003 Å |
| c | 30.4666 ± 0.0014 Å |
| α | 90° |
| β | 127.662 ± 0.0009° |
| γ | 90° |
| Cell volume | 10463.8 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1006 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1404 |
| Weighted residual factors for all reflections included in the refinement | 0.1624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4338668.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 {}' |
4338668.cif |
| 119102 | 2014-07-05 | cif/ Updating files of 4338668 Original log message: Adding full bibliography for 4338668.cif. |
4338668.cif |
| 114915 | 2014-05-30 | cif/ Adding structures of 4338668 via cif-deposit CGI script. |
4338668.cif |
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