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Information card for entry 1512266
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| Coordinates | 1512266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C8H14[OSSO]Hf(CH2Ph)2 |
|---|---|
| Chemical name | C8H14[OSSO]Hf(CH2Ph)2 |
| Formula | C70 H94 Hf O2 S2 |
| Calculated formula | C70 H94 Hf O2 S2 |
| Title of publication | Controlled Isospecific Polymerization of α-Olefins by Hafnium Complex Incorporating with atrans-Cyclooctanediyl-Bridged [OSSO]-Type Bis(phenolate) Ligand |
| Authors of publication | Nakata, Norio; Toda, Tomoyuki; Matsuo, Tsukasa; Ishii, Akihiko |
| Journal of publication | Macromolecules |
| Year of publication | 2013 |
| Journal volume | 46 |
| Journal issue | 17 |
| Pages of publication | 6758 |
| a | 10.5199 ± 0.0004 Å |
| b | 20.54 ± 0.0007 Å |
| c | 29.3486 ± 0.0011 Å |
| α | 90° |
| β | 98.125 ± 0.001° |
| γ | 90° |
| Cell volume | 6278 ± 0.4 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1512266.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 {}' |
1512266.cif |
| 89048 | 2013-10-09 | cif/ Adding structures of 1512266 via cif-deposit CGI script. |
1512266.cif |
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Users of the data should acknowledge the original authors of the
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