Information card for entry 7041822

Structure parameters

• Formula: C16 H28 F12 Mn2 O18 S4
• Calculated formula: C16 H28 F12 Mn2 O18 S4
• SMILES: C[O]1CC[O]2CC[O](C)[Mn]312(OS(=O)(=O)C(F)(F)F)[O]=S(C(F)(F)F)(O[Mn]12([O](C)CC[O]1CC[O]2C)(OS(=O)(=O)C(F)(F)F)[O]=S(C(F)(F)F)(O3)=O)=O
• Title of publication: Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles.
• Authors of publication: Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2497 - 2509
• a: 13.6419 ± 0.0002 Å
• b: 9.97668 ± 0.00013 Å
• c: 13.8425 ± 0.0002 Å
• α: 90°
• β: 105.476 ± 0.0016°
• γ: 90°
• Cell volume: 1815.67 ± 0.05 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No