Information card for entry 2216044

Structure parameters

• Chemical name: N-Ferrocenylmethyl-2-(3-methylstyryl)-N'-methylbenzimidazolium hexafluorophosphate
• Formula: C28 H27 F6 Fe N2 P
• Calculated formula: C28 H27 F6 Fe N2 P
• Title of publication: <i>N</i>-Ferrocenylmethyl-2-(3-methylstyryl)-<i>N</i>'-methylbenzimidazolium hexafluorophosphate
• Authors of publication: Gallagher, John F.; Hanlon, Keith; Howarth, Joshua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2649 - m2649
• a: 13.515 ± 0.001 Å
• b: 12.8743 ± 0.001 Å
• c: 15.2839 ± 0.0009 Å
• α: 90°
• β: 94.037 ± 0.005°
• γ: 90°
• Cell volume: 2652.7 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes