Information card for entry 2243050

Structure parameters

• Chemical name: (μ~3~-Benzene-1,2-dithiolato)hexacarbonylbis(μ~3~-1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)tricobaltmolybdenum
• Formula: C20 H4 Co3 F12 Mo O6 S6
• Calculated formula: C20 H4 Co3 F12 Mo O6 S6
• Title of publication: A molybdenum tris(dithiolene) complex coordinates to three bound cobalt centers in three different ways
• Authors of publication: Nguyen, Neilson; Lough, Alan J.; Fekl, Ulrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1261 - 1264
• a: 22.7465 ± 0.0005 Å
• b: 12.8779 ± 0.0005 Å
• c: 23.6033 ± 0.0006 Å
• α: 90°
• β: 115.384 ± 0.0016°
• γ: 90°
• Cell volume: 6246.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes