Information card for entry 4331714

Structure parameters

• Formula: F5 H2 N Te
• Calculated formula: F5 H2 N Te
• SMILES: [Te](F)(F)(F)(F)(F)[NH2]
• Title of publication: Syntheses of [F5TeNH3][AsF6], [F5TeN(H)Xe][AsF6], and F5TeNF2and Characterization by Multi-NMR and Raman Spectroscopy and by Electronic Structure Calculations: The X-ray Crystal Structures of α- and β-F5TeNH2, [F5TeNH3][AsF6], and [F5TeN(H)Xe][AsF6]
• Authors of publication: Fir, Barbara; Whalen, J. Marc; Mercier, Hélène P. A.; Dixon, David A.; Schrobilgen, Gary J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1978 - 1996
• a: 5.163 ± 0.002 Å
• b: 9.083 ± 0.004 Å
• c: 5.262 ± 0.002 Å
• α: 90°
• β: 112.223 ± 0.008°
• γ: 90°
• Cell volume: 228.43 ± 0.16 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No