Information card for entry 7207311

Structure parameters

• Common name: 7-(Methylsulfinyl)-14-phenylbenzo(5,6)tetraceno(1,12,11,10- jklmna)acridin-14-ium hexafluorophosphate(V), acetonitrile solvate
• Chemical name: 7-(Methylsulfinyl)-14-phenylbenzo[5,6]tetraceno[1,12,11,10-jklmna]acridin-14-ium hexafluorophosphate(V), acetonitrile solvate
• Formula: C36 H23 F6 N2 O P S
• Calculated formula: C36 H23 F6 N2 O P S
• Title of publication: Photoinduced charge shift and charge recombination through an alkynyl spacer for an expanded acridinium-based dyad.
• Authors of publication: Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 3194 - 3199
• a: 13.773 ± 0.004 Å
• b: 6.7999 ± 0.0018 Å
• c: 15.291 ± 0.004 Å
• α: 90°
• β: 96.715 ± 0.003°
• γ: 90°
• Cell volume: 1422.3 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.6709 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No