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Information card for entry 4072888
Preview
| Coordinates | 4072888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H52 Ga2 Si2 |
|---|---|
| Calculated formula | C28 H52 Ga2 Si2 |
| SMILES | C(=C\c1ccc(/C=C([Ga](C(C)C)C(C)C)/[Si](C)(C)C)cc1)(\[Ga](C(C)C)C(C)C)[Si](C)(C)C |
| Title of publication | Hydrogallation of Trimethylsilylethynylbenzenes: Generation of Potential Di- and Tripodal Chelating Lewis Acids |
| Authors of publication | Uhl, Werner; Bock, Henrik R.; Breher, Frank; Claesener, Michael; Haddadpour, Sima; Jasper, Beate; Hepp, Alexander |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 9 |
| Pages of publication | 2363 |
| a | 8.6786 ± 0.0014 Å |
| b | 8.8599 ± 0.0015 Å |
| c | 11.516 ± 0.002 Å |
| α | 72.672 ± 0.017° |
| β | 73.845 ± 0.017° |
| γ | 83.406 ± 0.017° |
| Cell volume | 811.4 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0656 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.1562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178617 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/28. |
4072888.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). |
4072888.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072888.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072888.cif |
| 46057 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072888, 4072889, 4072890, 4072891 via cif-deposit CGI script. |
4072888.cif |
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