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Information card for entry 1513094
Preview
| Coordinates | 1513094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H36 Cl2 O3 Sc |
|---|---|
| Calculated formula | C26 H36 Cl2 O3 Sc |
| Title of publication | Remarkable Stereochemistry Control in the Polymerization of α-Olefins Using a Simple Scandium Catalyst System |
| Authors of publication | Pan, Yu; Xu, Tieqi; Fu, Song; Yang, Guan-Wen; Lu, Xiao-Bing |
| Journal of publication | Macromolecules |
| Year of publication | 2013 |
| Journal volume | 46 |
| Journal issue | 22 |
| Pages of publication | 8790 |
| a | 15.6129 ± 0.0018 Å |
| b | 13.1749 ± 0.0015 Å |
| c | 15.98 ± 0.003 Å |
| α | 90° |
| β | 118.365 ± 0.001° |
| γ | 90° |
| Cell volume | 2892.4 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0417 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.1229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
1513094.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513094.cif |
| 91688 | 2013-12-13 | cif/ Adding structures of 1513093, 1513094 via cif-deposit CGI script. |
1513094.cif |
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Users of the data should acknowledge the original authors of the
structural data.