Information card for entry 4304118

Structure parameters

• Formula: C18 H39 N2 P Se4
• Calculated formula: C18 H39 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: 9.6284 ± 0.0005 Å
• b: 16.9553 ± 0.0008 Å
• c: 16.0899 ± 0.0007 Å
• α: 90°
• β: 96.875 ± 0.004°
• γ: 90°
• Cell volume: 2607.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No