Information card for entry 7027096

Structure parameters

• Chemical name: 1-(ferrocenylmethyl)-2-(ferrocenyl)benzimidazolium tetrafluoroborate
• Formula: C28 H25 B F4 Fe2 N2
• Calculated formula: C28 H20 B F4 Fe2 N2
• Title of publication: Co-ordination chemistry of bis(ferrocenylcarbaldimine) Schiff bases
• Authors of publication: Li, Peiyi; Scowen, Ian J.; Davies, John E.; Halcrow, Malcolm A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 3791
• a: 10.966 ± 0.002 Å
• b: 15.935 ± 0.003 Å
• c: 14.829 ± 0.003 Å
• α: 90°
• β: 108.45 ± 0.03°
• γ: 90°
• Cell volume: 2458.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No