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Information card for entry 4064029
Preview
| Coordinates | 4064029.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | COMPOUND 3b |
|---|---|
| Formula | C78 H75 Cl Ge4 |
| Calculated formula | C78 H75 Cl Ge4 |
| SMILES | c1(ccccc1)[Ge](c1ccccc1)(c1ccccc1)[Ge](Cl)([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.C1CCCCC1.c1ccccc1.c1ccccc1 |
| Title of publication | Syntheses, Structures, and Electronic Properties of the Branched Oligogermanes (Ph3Ge)3GeH and (Ph3Ge)3GeX (X = Cl, Br, I)† |
| Authors of publication | Samanamu, Christian R.; Amadoruge, Monika L.; Yoder, Claude H.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 5 |
| Pages of publication | 1046 |
| a | 18.6792 ± 0.0014 Å |
| b | 18.6792 ± 0.0014 Å |
| c | 9.874 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2983.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.0671 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1061 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178502 (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 4/06/40. |
4064029.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). |
4064029.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064029.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064029.cif |
| 32760 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064027, 4064028, 4064029, 4064030, 4064031 via cif-deposit CGI script. |
4064029.cif |
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Users of the data should acknowledge the original authors of the
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