Information card for entry 7055594

Structure parameters

• Formula: F36 Ti6 Xe2
• Calculated formula: F36 Ti6 Xe2
• Title of publication: Largest perfluorometallate [Ti10F45]5−oligomer and polymeric ([Ti3F13]−)∞and ([TiF5]−)∞anions prepared as [XeF5]+salts
• Authors of publication: Mazej, Zoran; Goreshnik, Evgeny A.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 7320
• a: 9.7699 ± 0.0006 Å
• b: 11.0276 ± 0.0006 Å
• c: 13.4581 ± 0.0007 Å
• α: 89.601 ± 0.005°
• β: 69.992 ± 0.005°
• γ: 77.717 ± 0.005°
• Cell volume: 1327.83 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No