Information card for entry 4331712

Structure parameters

• Formula: As F11 H N Te Xe
• Calculated formula: As F11 H N Te Xe
• SMILES: [Te](F)(F)(F)(F)(F)[NH][Xe][F][As](F)(F)(F)(F)F
• 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: 5.3898 ± 0.0003 Å
• b: 7.058 ± 0.0003 Å
• c: 12.5326 ± 0.0004 Å
• α: 86.736 ± 0.003°
• β: 84.064 ± 0.003°
• γ: 85.531 ± 0.003°
• Cell volume: 472.18 ± 0.04 ų
• Cell temperature: 164 ± 2 K
• Ambient diffraction temperature: 164 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.0946
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No