Information card for entry 2242109

Structure parameters

• Chemical name: Bis(tetra-<i>n</i>-butylammonium) μ-oxalato-bis[bis(1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)molybdate(IV)]
• Formula: C50 H72 F24 Mo2 N2 O4 S8
• Calculated formula: C50 H72 F24 Mo2 N2 O4 S8
• 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: 14.2347 ± 0.0015 Å
• b: 19.494 ± 0.0019 Å
• c: 14.4056 ± 0.0014 Å
• α: 90°
• β: 103.159 ± 0.005°
• γ: 90°
• Cell volume: 3892.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes