Information card for entry 2000576

Structure parameters

• Chemical name: 1,3-bis-[triphenylphosphonio]-propadien-bis-[trifluormethanesulfonate]
• Formula: C41 H32 F6 O6 P2 S2
• Calculated formula: C41 H32 F6 O6 P2 S2
• Title of publication: Structure of the allene C~39~H~32~P~2~^2+^.2CF~3~O~3~S^{-^}
• Authors of publication: Bram, A.; Burzlaff, H.; Hadawi, D.; Bestmann, H.-J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1904 - 1906
• a: 19.9686 ± 0.0007 Å
• b: 16.733 ± 0.0006 Å
• c: 11.8636 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3964 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A e 2 a
• Hall space group symbol: A -2ab -2ab
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.027
• Goodness-of-fit parameter for significantly intense reflections: 2.66
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No