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Information card for entry 4101952
Preview
| Coordinates | 4101952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H44 O4 Si Zr |
|---|---|
| Calculated formula | C34 H44 O4 Si Zr |
| SMILES | [Zr]123456789(OC(=C(C)C)OC(C)C)(OC(=C(C)C)OC(C)C)[cH]%10[cH]1[cH]2[c]3([Si]([c]17[c]26cccc[c]52[c]29[c]81cccc2)(C)C)[cH]4%10 |
| Title of publication | Catalyst-Site-Controlled Coordination Polymerization of Polar Vinyl Monomers to Highly Syndiotactic Polymers |
| Authors of publication | Yuetao Zhang; Yalan Ning; Lucia Caporaso; Luigi Cavallo; Eugene Y.-X. Chen |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 2695 - 2709 |
| a | 10.831 ± 0.0004 Å |
| b | 12.479 ± 0.0004 Å |
| c | 14.1278 ± 0.0005 Å |
| α | 90.664 ± 0.002° |
| β | 111.403 ± 0.002° |
| γ | 113.539 ± 0.002° |
| Cell volume | 1601.97 ± 0.11 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0383 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178765 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/19. |
4101952.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 {}' |
4101952.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4101952.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101952.cif |
| 24771 | 2011-09-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4101952 via cif-deposit CGI script. |
4101952.cif |
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