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Information card for entry 2242108
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| Coordinates | 2242108.cif |
|---|---|
| Structure factors | 2242108.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(tetra-<i>n</i>-butylammonium) bis(1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)oxalatomolybdate(IV)‒chloroform‒oxalic acid (1/1/1), |
|---|---|
| Formula | C45 H75 Cl3 F12 Mo N2 O8 S4 |
| Calculated formula | C45 H75 Cl3 F12 Mo N2 O8 S4 |
| Title of publication | Coordination compounds containing bis-dithiolene-chelated molybdenum(IV) and oxalate: comparison of terminal with bridging oxalate |
| Authors of publication | Gapinska, Agata; Lough, Alan J.; Fekl, Ulrich |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 8 |
| Pages of publication | 1202 - 1207 |
| a | 15.3879 ± 0.0002 Å |
| b | 17.8733 ± 0.0005 Å |
| c | 22.2895 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6130.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0895 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198828 (current) | 2017-07-20 | cif/ hkl/ Adding structures of 2242108, 2242109 via cif-deposit CGI script. |
2242108.cif 2242108.hkl |
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Users of the data should acknowledge the original authors of the
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