Information card for entry 2009403

Structure parameters

• Common name: ferrocene-1,1'-diylbis(phenylethanol)
• Chemical name: 1,1'-Diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol
• Formula: C26 H26 Fe O2
• Calculated formula: C26 H26 Fe O2
• Title of publication: Hydrogen-bonding patterns in ferrocene derivatives: structures of 1,1'-diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol and 1,1'-(1,1'-ferrocenediyl)diethanol
• Authors of publication: Gallagher, John F.; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 18 - 23
• a: 14.7334 ± 0.0008 Å
• b: 21.7592 ± 0.0015 Å
• c: 14.783 ± 0.0009 Å
• α: 90°
• β: 117.273 ± 0.004°
• γ: 90°
• Cell volume: 4212.4 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No