Information card for entry 4321800

Structure parameters

• Formula: C12 H14 Cu F4 N6 O3 W
• Calculated formula: C10 Cu0.125 F1.75 N2.5 O0.875 W0.125
• 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: 9.745 ± 0.001 Å
• b: 9.745 ± 0.001 Å
• c: 16.565 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1573.1 ± 0.4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 7
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections: 3.145
• Goodness-of-fit parameter for all reflections included in the refinement: 3.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No