Information card for entry 4301022

Structure parameters

• Formula: As2 F12 I4 S2
• Calculated formula: As1.5 F12 I4 S2
• Title of publication: The Highest Bond Order Between Heavier Main-Group Elements in an Isolated Compound? Energetics and Vibrational Spectroscopy of S2I4(MF6)2 (M = As, Sb)
• Authors of publication: Scott Brownridge; T. Stanley Cameron; Hongbin Du; Carsten Knapp; Ralf Köppe; Jack Passmore; J. Mikko Rautiainen; Hansgeorg Schnöckel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1660 - 1671
• a: 9.605 ± 0.002 Å
• b: 12.734 ± 0.002 Å
• c: 13.504 ± 0.002 Å
• α: 90°
• β: 94.644 ± 0.012°
• γ: 90°
• Cell volume: 1646.3 ± 0.5 ų
• Cell temperature: 193.2 K
• Ambient diffraction temperature: 193.2 K
• Number of distinct elements: 4
• 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: 0.0355
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 1.691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.69
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No