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Information card for entry 4114305
Preview
| Coordinates | 4114305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (18-crown-6)potassium tris{bis[bis(trimethylsilyl)methyl](methyl)silyl} tetrasilatetrahedranide |
|---|---|
| Formula | C59.5 H153 K O6 Si19 |
| Calculated formula | C59.5 H153 K O6 Si19 |
| SMILES | [K]12345[O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6.[Si]12[Si]3([Si]1([Si]23[Si](C)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.CCCCC |
| Title of publication | Tetrasilatetrahedranide: A Silicon Cage Anion |
| Authors of publication | Masaaki Ichinohe; Masafumi Toyoshima; Rei Kinjo; Akira Sekiguchi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 13328 - 13329 |
| a | 46.377 ± 0.0018 Å |
| b | 16.843 ± 0.0003 Å |
| c | 28.779 ± 0.0011 Å |
| α | 90° |
| β | 121.573 ± 0.002° |
| γ | 90° |
| Cell volume | 19152.4 ± 1.2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1146 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.1697 |
| Weighted residual factors for all reflections included in the refinement | 0.2004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4114305.cif |
| 178914 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/43. |
4114305.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114305.cif |
| 67602 | 2012-10-01 | cif/ Adding structures of 4114305 via cif-deposit CGI script. |
4114305.cif |
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