Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4069393
Preview
| Coordinates | 4069393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H84 Al2 O4 Sm2 |
|---|---|
| Calculated formula | C54 H84 Al2 O4 Sm2 |
| SMILES | c12c(cc(cc1Cc1cc(cc(c1O[Sm]13([O]2[Sm]24([O]3c3(c(cc(cc3C(C)(C)C)C)Cc3cc(cc(c3O4)C(C)(C)C)C))[CH3][Al]([CH3]2)(C)C)[CH3][Al]([CH3]1)(C)C)C(C)(C)C)C)C)C(C)(C)C |
| Title of publication | Aluminate Samarium(II) and Samarium(III) Aryloxides. Isolation of a Single-Component Ethylene Polymerization Catalyst |
| Authors of publication | Korobkov, Ilia; Gambarotta, Sandro |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 14 |
| Pages of publication | 4009 |
| a | 10.716 ± 0.003 Å |
| b | 10.928 ± 0.003 Å |
| c | 13.541 ± 0.003 Å |
| α | 83.106 ± 0.003° |
| β | 74.914 ± 0.003° |
| γ | 66.868 ± 0.003° |
| Cell volume | 1407.7 ± 0.6 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178582 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/93. |
4069393.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 {}' |
4069393.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069393.cif |
| 40276 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069388, 4069389, 4069390, 4069391, 4069392, 4069393, 4069394 via cif-deposit CGI script. |
4069393.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.