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Information card for entry 4106072
Preview
| Coordinates | 4106072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (K(18-c-6))4[SbGe8-Ge8Sb] 4en |
|---|---|
| Formula | C58 H134 Ge16 K4 N10 O24 Sb2 |
| Calculated formula | C58 H134 Ge16 K4 N10 O24 Sb2 |
| SMILES | [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.NCCN.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.NCCN.NCCN.[Ge]123([Ge]45[Ge]67[Ge]34[Sb]37[Ge]47[Ge]1([Ge]234)[Ge]567)[Ge]123[Ge]45[Ge]67[Ge]34[Sb]37[Ge]47[Ge]1([Ge]234)[Ge]567.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.NCCN.NCCN |
| Title of publication | "n-Doping" of Deltahedral Zintl Ions |
| Authors of publication | Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 6560 - 6562 |
| a | 14.8186 ± 0.0006 Å |
| b | 21.0218 ± 0.0008 Å |
| c | 22.1137 ± 0.0009 Å |
| α | 90° |
| β | 131.022 ± 0.002° |
| γ | 90° |
| Cell volume | 5197.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1193 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Weighted residual factors for all reflections included in the refinement | 0.1393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178806 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/60. |
4106072.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106072.cif |
| 52862 | 2012-04-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4106072 via cif-deposit CGI script. |
4106072.cif |
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