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Information card for entry 2240243
Preview
| Coordinates | 2240243.cif |
|---|---|
| Structure factors | 2240243.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2,2,3,3-Tetramethyl-1,1,1,4,4,4-hexaphenyltetragermane |
|---|---|
| Formula | C40 H42 Ge4 |
| Calculated formula | C40 H42 Ge4 |
| SMILES | C[Ge](C)([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)[Ge](C)(C)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of 2,2,3,3-tetramethyl-1,1,1,4,4,4-hexaphenyltetragermane |
| Authors of publication | Zaitsev, Kirill V.; Karlov, Sergey S.; Zaitseva, Galina S.; Alizade, Ali; Slovokhotov, Yuri L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | o1273 - o1274 |
| a | 9.6402 ± 0.0005 Å |
| b | 13.6386 ± 0.0006 Å |
| c | 14.0503 ± 0.0007 Å |
| α | 90° |
| β | 104.56 ± 0.001° |
| γ | 90° |
| Cell volume | 1787.99 ± 0.15 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.044 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240243.cif 2240243.hkl |
| 181902 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240243.cif 2240243.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240243.cif 2240243.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240243.cif 2240243.hkl |
| 127785 | 2014-11-22 | cif/ hkl/ Adding structures of 2240243 via cif-deposit CGI script. |
2240243.cif 2240243.hkl |
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Users of the data should acknowledge the original authors of the
structural data.