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Information card for entry 7004961
Preview
| Coordinates | 7004961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H123 Ga3 |
|---|---|
| Calculated formula | C75 H123 Ga3 |
| SMILES | C1(=C\C(C)(C)C)\c2cc3/C(=C\C(C)(C)C)[Ga](/C(=C/C(C)(C)C)c4cc(C(=C\C(C)(C)C)/[Ga]1CCC)cc(C(=C\C(C)(C)C)/[Ga](C(=C\C(C)(C)C)\c(c3)c2)CCC)c4)CCC.C1CCCCC1.C1CCCC1.C1CCCC1.C1CCCC1 |
| Title of publication | The reactions of dialkylgallium hydrides with tert-butylethynylbenzenes‒a systematic investigation into the course of hydrogallation reactions. |
| Authors of publication | Uhl, Werner; Claesener, Michael; Haddadpour, Sima; Jasper, Beate; Hepp, Alexander |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 4 |
| Pages of publication | 417 - 423 |
| a | 17.6535 ± 0.0003 Å |
| b | 17.6535 ± 0.0003 Å |
| c | 25.9914 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7014.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 165 |
| Hermann-Mauguin space group symbol | P -3 c 1 |
| Hall space group symbol | -P 3 2"c |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.858 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179753 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/49. |
7004961.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004961.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004961.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7004961.cif |
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