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Information card for entry 4064675
Preview
| Coordinates | 4064675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H28 F2 Ge |
|---|---|
| Calculated formula | C44 H28 F2 Ge |
| SMILES | [Ge]1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#Cc1cc(F)ccc1)C#Cc1cccc(c1)F |
| Title of publication | Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission |
| Authors of publication | Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 13 |
| Pages of publication | 3559 |
| a | 10.555 ± 0.002 Å |
| b | 11.095 ± 0.002 Å |
| c | 15.68 ± 0.003 Å |
| α | 92.23 ± 0.03° |
| β | 104.77 ± 0.03° |
| γ | 113.52 ± 0.03° |
| Cell volume | 1607.4 ± 0.7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for all reflections | 0.1121 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4064675.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064675.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064675.cif |
| 32994 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064675 via cif-deposit CGI script. |
4064675.cif |
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Users of the data should acknowledge the original authors of the
structural data.