Information card for entry 4135103

Structure parameters

• Formula: F9 H6 K5 Mo3 O7
• Calculated formula: F9 H6 K5 Mo3 O7
• Title of publication: Multimodal Structure Solution with ¹⁹F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.
• Authors of publication: Ding, Fenghua; Griffith, Kent J.; Koçer, Can P; Saballos, Richard; Wang, Yiran; Zhang, Chi; Nisbet, Matthew L.; Morris, Andrew J.; Rondinelli, James M.; Poeppelmeier, Kenneth R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 13.1217 ± 0.0003 Å
• b: 7.9281 ± 0.0002 Å
• c: 14.9286 ± 0.0004 Å
• α: 90°
• β: 97.444 ± 0.001°
• γ: 90°
• Cell volume: 1539.94 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No