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Information card for entry 7017699
Preview
| Coordinates | 7017699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H108 F N O12 Si8 |
|---|---|
| Calculated formula | C94 H108 F N O12 Si8 |
| 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 | 13.594 ± 0.0003 Å |
| b | 15.2028 ± 0.0003 Å |
| c | 22.257 ± 0.0004 Å |
| α | 86.934 ± 0.001° |
| β | 85.929 ± 0.001° |
| γ | 75.975 ± 0.001° |
| Cell volume | 4448.28 ± 0.16 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1162 |
| Residual factor for significantly intense reflections | 0.0783 |
| Weighted residual factors for significantly intense reflections | 0.1559 |
| Weighted residual factors for all reflections included in the refinement | 0.1782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7017699.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017699.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017699.cif |
| 33392 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7017697, 7017698, 7017699, 7017700 via cif-deposit CGI script. |
7017699.cif |
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Users of the data should acknowledge the original authors of the
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