Information card for entry 4321799

Structure parameters

• Formula: C30 H32 Cu F8 N6 O4 W2
• Calculated formula: C28 H18 Cu0.25 F7 N4 O3 W
• 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: 11.339 ± 0.002 Å
• b: 11.339 ± 0.002 Å
• c: 30.489 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3920.1 ± 1.2 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 7
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.029
• Goodness-of-fit parameter for all reflections: 1.461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.46
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No