Information card for entry 4304120

Structure parameters

• Formula: C8 H12 Li N4 P Se4
• Calculated formula: C8 H12 Li N4 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: 20.0535 ± 0.0006 Å
• b: 12.12 ± 0.0005 Å
• c: 15.0831 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3665.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.364
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No