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Information card for entry 7021449
Preview
| Coordinates | 7021449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 18-Crown-6-potassium triphenyl-germanium |
|---|---|
| Formula | C30 H39 Ge K O6 |
| Calculated formula | C30 H39 Ge K O6 |
| SMILES | c1(ccccc1)[Ge-](c1ccccc1)c1ccccc1.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456 |
| Title of publication | On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study. |
| Authors of publication | Kleeberg, Christian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 23 |
| Pages of publication | 8276 - 8287 |
| a | 9.8669 ± 0.0001 Å |
| b | 17.2748 ± 0.0002 Å |
| c | 17.9326 ± 0.0002 Å |
| α | 90° |
| β | 99.857 ± 0.001° |
| γ | 90° |
| Cell volume | 3011.47 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0241 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7021449.cif |
| 179919 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/14. |
7021449.cif |
| 86945 | 2013-07-12 | cif/ Adding structures of 7021446, 7021447, 7021448, 7021449, 7021450, 7021451 via cif-deposit CGI script. |
7021449.cif |
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Users of the data should acknowledge the original authors of the
structural data.