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Information card for entry 4081954
Preview
| Coordinates | 4081954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38.5 H48.5 Al2 Cl5 Cr N3 P2 |
|---|---|
| Calculated formula | C38.5 H48.5 Al2 Cl5 Cr N3 P2 |
| Title of publication | Synthesis, Structures, and Ethylene Oligomerization Activity of Bis(phosphanylamine)pyridine Chromium/Aluminate Complexes |
| Authors of publication | Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 23 |
| Pages of publication | 7107 |
| a | 10.7401 ± 0.0005 Å |
| b | 12.69 ± 0.0007 Å |
| c | 17.5709 ± 0.0009 Å |
| α | 98.811 ± 0.001° |
| β | 105.154 ± 0.001° |
| γ | 92.428 ± 0.001° |
| Cell volume | 2275.7 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1037 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.1408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4081954.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4081954.cif |
| 132563 | 2015-02-28 | cif/ (antanas@koala.ibt.lt) Removed trailing "===END===" strings from values of '_refine_diff_density_rms' tag for 87 CIFs in range 4. |
4081954.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 {}' |
4081954.cif |
| 91816 | 2013-12-13 | cif/ Adding structures of 4081950, 4081951, 4081952, 4081953, 4081954, 4081955 via cif-deposit CGI script. |
4081954.cif |
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Users of the data should acknowledge the original authors of the
structural data.