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Information card for entry 2241247
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| Coordinates | 2241247.cif |
|---|---|
| Structure factors | 2241247.hkl |
| Original IUCr paper | HTML |
| Chemical name | Pentamorpholinium hexahydrogen hexamolybdoferrate(III) sulfate 3.5-hydrate |
|---|---|
| Formula | C20 H63 Fe Mo6 N5 O36.5 S |
| Calculated formula | C20 H63 Fe Mo6 N5 O36.5 S |
| Title of publication | Crystal structure of an organic‒inorganic hybrid compound based on morpholinium cations and a β-type Anderson polyanion |
| Authors of publication | Lukianova, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | 1345 - 1348 |
| a | 8.9 ± 0.003 Å |
| b | 13.143 ± 0.004 Å |
| c | 20.778 ± 0.006 Å |
| α | 84.92 ± 0.03° |
| β | 85.37 ± 0.03° |
| γ | 83.7 ± 0.03° |
| Cell volume | 2400.1 ± 1.3 Å3 |
| Cell temperature | 99.98 ± 0.18 K |
| Ambient diffraction temperature | 99.98 ± 0.18 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241247.cif 2241247.hkl |
| 169840 | 2015-10-29 | cif/ hkl/ Adding structures of 2241247 via cif-deposit CGI script. |
2241247.cif 2241247.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.