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Information card for entry 7017698
Preview
| Coordinates | 7017698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H92 F N O20 Si8 |
|---|---|
| Calculated formula | C72 H92 F N O20 Si8 |
| SMILES | c1(ccc(cc1)OC)[Si]12O[Si]3(c4ccc(cc4)OC)O[Si]4(c5ccc(cc5)OC)O[Si](c5ccc(cc5)OC)(O1)O[Si]1(c5ccc(cc5)OC)O[Si](c5ccc(cc5)OC)(O[Si](c5ccc(cc5)OC)(O[Si](c5ccc(cc5)OC)(O1)O4)O3)O2.C(CCC)[N+](CCCC)(CCCC)CCCC.[F-] |
| Title of publication | Further studies of fluoride ion entrapment in octasilsesquioxane cages; X-ray crystal structure studies and factors that affect their formation. |
| Authors of publication | Taylor, Peter G.; Bassindale, Alan R.; El Aziz, Youssef; Pourny, Manuel; Stevenson, Richard; Hursthouse, Michael B.; Coles, Simon J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 7 |
| Pages of publication | 2048 - 2059 |
| a | 12.6188 ± 0.0005 Å |
| b | 12.8071 ± 0.0005 Å |
| c | 46.5571 ± 0.0019 Å |
| α | 90° |
| β | 92.258 ± 0.001° |
| γ | 90° |
| Cell volume | 7518.3 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1206 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.2001 |
| Weighted residual factors for all reflections included in the refinement | 0.2543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179880 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/76. |
7017698.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017698.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017698.cif |
| 33392 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7017697, 7017698, 7017699, 7017700 via cif-deposit CGI script. |
7017698.cif |
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