Information card for entry 4321788

Structure parameters

• Formula: C12 H14 Cu F4 N6 O3 W
• Calculated formula: C9.36 Cu0.06 F1.64 N1.26 O0.66 W0.06
• Title of publication: The Polar [WO2F4]2- Anion in the Solid State
• Authors of publication: Kevin R. Heier; Alexander J. Norquist; P. Shiv Halasyamani; Angel Duarte; Charlotte L. Stern; Kenneth R. Poeppelmeier
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 762 - 767
• a: 6.886 ± 0.003 Å
• b: 6.886 ± 0.003 Å
• c: 8.3 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 393.6 ± 0.3 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 7
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.038
• 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: 3.514
• Goodness-of-fit parameter for all reflections included in the refinement: 3.51
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No