Information card for entry 2009404

Structure parameters

• Common name: 1,1'-(ferrocene-1,1'-diyl)diethanol
• Chemical name: 1,1'-(1,1'-ferrocenediyl)diethanol
• Formula: C14 H18 Fe O2
• Calculated formula: C14 H18 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: 6.1096 ± 0.0003 Å
• b: 16.5931 ± 0.0008 Å
• c: 12.7382 ± 0.0005 Å
• α: 90°
• β: 95.373 ± 0.004°
• γ: 90°
• Cell volume: 1285.69 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.035
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.51
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No