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Information card for entry 2239626
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| Coordinates | 2239626.cif |
|---|---|
| Structure factors | 2239626.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrasodium pentadecamolybdenum nonadecasulfide |
|---|---|
| Formula | Mo15 Na4.25 S19 |
| Calculated formula | Mo15 Na4.253 S19 |
| Title of publication | Na~4.25~Mo~15~S~19~: a novel ternary reduced molybdenum sulfide containing Mo~6~ and Mo~9~ clusters |
| Authors of publication | Salloum, D.; Gougeon, P.; Gall, P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | i30 |
| a | 9.534 ± 0.0001 Å |
| b | 9.534 ± 0.0001 Å |
| c | 18.9803 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1494.11 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239626.cif 2239626.hkl |
| 181315 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/96. |
2239626.cif 2239626.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239626.cif 2239626.hkl |
| 115043 | 2014-06-02 | cif/ hkl/ Adding structures of 2239626 via cif-deposit CGI script. |
2239626.cif 2239626.hkl |
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Users of the data should acknowledge the original authors of the
structural data.