Information card for entry 4342215

Structure parameters

• Formula: C2 H10 F4 Mo N2 O2
• Calculated formula: C2 H10 F4 Mo N2 O2
• SMILES: [Mo](F)(F)(F)(F)(=O)=O.[NH3+]CC[NH3+]
• 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: 5.8949 ± 0.0002 Å
• b: 7.7512 ± 0.0003 Å
• c: 8.5602 ± 0.0003 Å
• α: 94.8475 ± 0.0015°
• β: 91.5028 ± 0.0015°
• γ: 99.4202 ± 0.0015°
• Cell volume: 384.16 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0178
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.391
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No