Information card for entry 2105717

Structure parameters

• Formula: C2 Ca F6 O6 S2
• Calculated formula: C2 Ca F5.99994 O5.99994 S2
• Title of publication: Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
• Authors of publication: Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: 467 - 473
• a: 5.60549 ± 0.00003 Å
• b: 5.605486 Å
• c: 31.1417 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 847.422 ± 0.007 ų
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Goodness-of-fit parameter for all reflections: 2.29
• Diffraction radiation wavelength: 0.69953 Å
• Diffraction radiation type: synchrotron
• Duplicate of: 2100506
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No