Information card for entry 7021078

Structure parameters

• Formula: C18 H97 Mo12 N2 O54.5 S12
• Calculated formula: C18 H32 Mo12 N2 O54.5 S12
• 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: 38.4762 ± 0.0007 Å
• b: 38.4762 ± 0.0007 Å
• c: 11.353 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16807.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No