Information card for entry 2101670

Structure parameters

• Formula: C12 H28 F12 N2 P2
• Calculated formula: C12 H28 F12 N2 P2
• Title of publication: Experimental and Theoretical Studies of Charge Density Distribution in <i>E</i>-Tetraethyl-1,4-diammoniumbut-2-ene.2PF~6~
• Authors of publication: McCormack, Kirsty L.; Mallinson, Paul R.; Webster, Brian C.; Yufit, Dmitrii S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 181 - 187
• a: 6.282 ± 0.001 Å
• b: 13.252 ± 0.001 Å
• c: 13.112 ± 0.001 Å
• α: 90°
• β: 98.08 ± 0.09°
• γ: 90°
• Cell volume: 1080.7 ± 0.3 ų
• Cell temperature: 100 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.022
• Goodness-of-fit parameter for significantly intense reflections: 1.003
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No