Information card for entry 4321475

Structure parameters

• Chemical name: (Difluoro)methoxioxo Iodine(V)
• Formula: C H3 F2 I O2
• Calculated formula: C H3 F2 I O2
• SMILES: I(F)(F)(=O)OC
• Title of publication: Crystal Structure of (Difluoro)methoxyoxo Iodine(V) IF2(O)OCH3
• Authors of publication: Rolf Minkwitz; Michael Berkei; Marc Studentkowski; Ralf Ludwig
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4766 - 4768
• a: 7.605 ± 0.001 Å
• b: 7.36 ± 0.001 Å
• c: 15.017 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 840.54 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for all reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.0516
• Goodness-of-fit parameter for all reflections: 0.948
• Goodness-of-fit parameter for significantly intense reflections: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No