Information card for entry 4304119

Structure parameters

• Formula: C8 H15 N2 P Se4
• Calculated formula: C8 H15 N2 P Se4
• Title of publication: Structural and NMR Spectroscopic Investigations of Chair and Twist Conformers of the P2Se82- Anion
• Authors of publication: Christiane Rotter; Michael Schuster; Mustafa Kidik; Oliver Schön; Thomas M. Klapötke; Konstantin Karaghiosoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1663 - 1673
• a: 7.6642 ± 0.0001 Å
• b: 10.9948 ± 0.0002 Å
• c: 17.038 ± 0.0003 Å
• α: 90°
• β: 91.211 ± 0.002°
• γ: 90°
• Cell volume: 1435.41 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No