Information card for entry 4319839

Structure parameters

• Formula: F2 Kr
• Calculated formula: F2 Kr
• SMILES: [Kr](F)F
• Title of publication: X-ray Crystal Structures of α-KrF2, [KrF][MF6] (M = As, Sb, Bi), [Kr2F3][SbF6].KrF2, [Kr2F3]2[SbF6]2.KrF2, and [Kr2F3][AsF6].[KrF][AsF6]; Synthesis and Characterization of [Kr2F3][PF6].nKrF2; and Theoretical Studies of KrF2, KrF+, Kr2F3+, and the [KrF][MF6] (M = P, As, Sb, Bi) Ion Pairs
• Authors of publication: John F. Lehmann; David A. Dixon; Gary J. Schrobilgen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3002 - 3017
• a: 4.1744 ± 0.0006 Å
• b: 4.1744 ± 0.0006 Å
• c: 6.5047 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 113.35 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No