Information card for entry 7021079

Structure parameters

• Formula: C18 H149 F6 Mo16 N2 O89.5 S16
• Calculated formula: C18 H26 F6 Mo16 N2 O89.5 S16
• Title of publication: Tuning the electrocatalytic hydrogen evolution reaction promoted by [Mo2O2S2]-based molybdenum cycles in aqueous medium.
• Authors of publication: Hijazi, Akram; Kemmegne-Mbouguen, Justin Claude; Floquet, Sébastien; Marrot, Jérôme; Fize, Jennifer; Artero, Vincent; David, Olivier; Magnier, Emmanuel; Pégot, Bruce; Cadot, Emmanuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 4848 - 4858
• a: 26.463 ± 0.004 Å
• b: 19.491 ± 0.003 Å
• c: 13.3714 ± 0.0019 Å
• α: 90°
• β: 109.049 ± 0.006°
• γ: 90°
• Cell volume: 6519.2 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No