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Information card for entry 4064572
Preview
| Coordinates | 4064572.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H48 Cl Ga Si4 |
|---|---|
| Calculated formula | C36 H48 Cl Ga Si4 |
| SMILES | [Ga](C([Si](C)(C)C)([Si](Cl)(C)C)[Si](C)(C)C)(/C(=C\c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C |
| Title of publication | A Unique Chlorine‒Methyl Exchange Reaction upon Treatment of Dichloroorganogallium Compounds, RGaCl2, with the Bulky Alkyllithium Derivative LiC(SiMe3)3 |
| Authors of publication | Uhl, Werner; Claesener, Michael; Kovert, Dirk; Hepp, Alexander; Würthwein, Ernst-Ulrich; Ghavtadze, Nugzar |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 11 |
| Pages of publication | 3075 |
| a | 9.4243 ± 0.0003 Å |
| b | 15.0923 ± 0.0005 Å |
| c | 26.2901 ± 0.0009 Å |
| α | 90° |
| β | 99.895 ± 0.001° |
| γ | 90° |
| Cell volume | 3683.7 ± 0.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1537 |
| Weighted residual factors for all reflections included in the refinement | 0.168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178539 (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 4/06/45. |
4064572.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064572.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064572.cif |
| 32949 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064572 via cif-deposit CGI script. |
4064572.cif |
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