Information card for entry 4342216

Structure parameters

• Formula: C10 H16 F4 Mo N2 O6
• Calculated formula: C10 H16 F4 Mo N2 O6
• SMILES: c1c(O)cc[nH+]c1.F[Mo](=O)(F)(F)(F)=O.O.c1cc(cc[nH+]1)O.O
• Title of publication: On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.
• Authors of publication: Gautier, Romain; Gautier, Régis; Chang, Kelvin B.; Poeppelmeier, Kenneth R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1712 - 1719
• a: 14.0496 ± 0.0005 Å
• b: 9.529 ± 0.0003 Å
• c: 13.2486 ± 0.0005 Å
• α: 90°
• β: 121.024 ± 0.002°
• γ: 90°
• Cell volume: 1519.98 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No