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Information card for entry 2240822
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| Coordinates | 2240822.cif |
|---|---|
| Structure factors | 2240822.hkl |
| Original IUCr paper | HTML |
| Chemical name | Scandium indium pentadecamolybdenum nonadecaselenide |
|---|---|
| Formula | In1.39 Mo15 Sc1.91 Se19 |
| Calculated formula | In1.39 Mo15 Sc1.914 Se19 |
| Title of publication | Crystal structure of Sc~1.91~In~1.39~Mo~15~Se~19~, containing Mo~6~ and Mo~9~ clusters |
| Authors of publication | Gougeon, Patrick; Gall, Philippe; Salloum, Diala |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | 760 - 762 |
| a | 9.753 ± 0.0002 Å |
| b | 9.753 ± 0.0002 Å |
| c | 19.3977 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1597.93 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0498 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0583 |
| Weighted residual factors for all reflections included in the refinement | 0.0633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240822.cif 2240822.hkl |
| 139190 | 2015-06-14 | cif/ hkl/ Adding structures of 2240822 via cif-deposit CGI script. |
2240822.cif 2240822.hkl |
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Users of the data should acknowledge the original authors of the
structural data.