Information card for entry 2001561

Structure parameters

• Chemical name: 1,3-acetonebis(triphenylphosphonium)(trifluoromethanesulfonate)
• Formula: C41 H34 F6 O7 P2 S2
• Calculated formula: C41 H34 F6 O7 P2 S2
• Title of publication: Structure of 1,3-bis(triphenylphosphonium)acetone bis(trifluoromethanesulfonate)
• Authors of publication: Bram, A.; Burzlaff, H.; Hadawi, D.; Bestmann, H.-J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 1409 - 1410
• a: 20.529 ± 0.002 Å
• b: 17.075 ± 0.002 Å
• c: 11.82 ± 0.001 Å
• α: 90°
• β: 98.65 ± 0.01°
• γ: 90°
• Cell volume: 4096.2 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: A 1 2/a 1
• Hall space group symbol: -A 2ya
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for significantly intense reflections: 1.49
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No