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Information card for entry 4072329
Preview
| Coordinates | 4072329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H90 Al2 Cr N4 P2 |
|---|---|
| Calculated formula | C40 H90 Al2 Cr N4 P2 |
| SMILES | C(C)(C)(C)N([P]12CC(C)C)[Al](CC(C)C)(CC(C)C)[N]2(C(C)(C)C)[Cr]21[N]1(C(C)(C)C)[P]2(CC(C)C)N(C(C)(C)C)[Al]1(CC(C)C)CC(C)C |
| Title of publication | Isolation of a Chromium Hydride Single-Component Ethylene Polymerization Catalyst |
| Authors of publication | Albahily, Khalid; Al-Baldawi, Danya; Gambarotta, Sandro; Koç, Ece; Duchateau, Robbert |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5943 |
| a | 12.604 ± 0.003 Å |
| b | 13.74 ± 0.003 Å |
| c | 14.445 ± 0.004 Å |
| α | 90° |
| β | 97.494 ± 0.004° |
| γ | 90° |
| Cell volume | 2480.2 ± 1.1 Å3 |
| Cell temperature | 202 ± 2 K |
| Ambient diffraction temperature | 202 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1052 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178612 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/23. |
4072329.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 {}' |
4072329.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072329.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072329.cif |
| 44353 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072329 via cif-deposit CGI script. |
4072329.cif |
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Users of the data should acknowledge the original authors of the
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