Information card for entry 2010719

Structure parameters

• Chemical name: 1-(2,3,4,5,1',2',3',4'-octamethylferrocenium-1-yl)- 3-(ruthenocenyl)allylium bis-tetrafluoroborate
• Formula: C31 H37 B2 F8 Fe Ru
• Calculated formula: C31 H37 B2 F8 Fe Ru
• Title of publication: The one-electron oxidation product of a metallocenyl-terminated cyanine
• Authors of publication: Barlow, Stephen; Day, Michael W.; Marder, Seth R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 303 - 304
• a: 19.178 ± 0.004 Å
• b: 10.988 ± 0.003 Å
• c: 28.728 ± 0.007 Å
• α: 90°
• β: 101.75 ± 0.02°
• γ: 90°
• Cell volume: 5927 ± 3 ų
• Cell temperature: 85 K
• Ambient diffraction temperature: 85 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: 0.0858
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.751
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes