Information card for entry 4339052

Structure parameters

• Formula: As2 Ba F22 Xe5
• Calculated formula: As2 Ba F22 Xe5
• SMILES: F[Xe]F.F[Xe]F.[Ba+2].[As](F)(F)([F-])(F)(F)F.[Xe](F)F.F[As](F)(F)(F)([F-])F.F[Xe]F.F[Xe]F
• Title of publication: Solid-state NMR spectroscopic study of coordination compounds of XeF(2) with metal cations and the crystal structure of [Ba(XeF(2))(5)][AsF(6)](2).
• Authors of publication: Gerken, Michael; Hazendonk, Paul; Iuga, Adriana; Nieboer, Jared; Tramsek, Melita; Goreshnik, Evgeny; Zemva, Boris; Zheng, Shaohui; Autschbach, Jochen
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 6069 - 6077
• a: 11.6604 ± 0.0014 Å
• b: 13.658 ± 0.002 Å
• c: 13.7802 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2194.6 ± 0.5 ų
• Cell temperature: 200 K
• Number of distinct elements: 4
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No