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Information card for entry 4063935
Preview
| Coordinates | 4063935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H43 N2 Sc Si4 |
|---|---|
| Calculated formula | C18 H43 N2 Sc Si4 |
| Title of publication | Half-Sandwich Scandium Bis(amide) Complexes as Efficient Catalyst Precursors for Syndiospecific Polymerization of Styrene |
| Authors of publication | Luo, Yunjie; Feng, Xiaoying; Wang, Yibin; Fan, Shimin; Chen, Jue; Lei, Yinlin; Liang, Hongze |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 12 |
| Pages of publication | 3270 |
| a | 9.4039 ± 0.0006 Å |
| b | 11.5196 ± 0.0008 Å |
| c | 14.5409 ± 0.0012 Å |
| α | 73.879 ± 0.011° |
| β | 71.568 ± 0.01° |
| γ | 69.711 ± 0.011° |
| Cell volume | 1376.5 ± 0.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0727 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1799 |
| Weighted residual factors for all reflections included in the refinement | 0.1879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178534 (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 4/06/39. |
4063935.cif |
| 132589 | 2015-03-02 | cif/ (antanas@koala.ibt.lt) Multiple CIFs contained incorrect '_refined_diff_density_rms' tag values, consisting of the actual numerical values and a trailing substrings that were accidentaly concatinated to the end of the values. The values were malformed upon deposition due to incorrect comment markup (comments were not prefixed with a '#' symbol). The folllowing command was carried to remove the trailing substrings: find . -name *.cif | xargs perl -0777 -i -pe "s/_refine_diff_density_rms\s*\'(\d*\.\d*)\s.*/_refine_diff_density_rms \1/" After the modifications 'cif_filter' script was used on all affected CIFs and changed values were inspected manually to avoid introduction of new errors (the trailling string might not be an artifact, but a misplaced e.s.d. value or a measurement unit symbol that implies the need of numerical value conversion). |
4063935.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063935.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063935.cif |
| 32729 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063935, 4063936, 4063937 via cif-deposit CGI script. |
4063935.cif |
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