Information card for entry 2009789

Structure parameters

• Common name: 2,2'-(Ferrocene-1,1'-diyl)di(propan-2-ol)
• Chemical name: 2,2'-(Ferrocene-1,1'-diyl)di(propan-2-ol) # Fe[C~5~H~4~-CMe~2~-OH]2
• Formula: C16 H22 Fe O2
• Calculated formula: C16 H22 Fe O2
• Title of publication: Hydrogen bonding in ferrocene derivatives: structures of 1-ferrocenyl-2,2-dimethylpropan-1-ol and 2,2'-(1,1'-ferrocenediyl)di(propan-2-ol)
• Authors of publication: Li, Yiwei; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 857 - 861
• a: 7.1486 ± 0.0004 Å
• b: 12.4464 ± 0.0008 Å
• c: 16.4802 ± 0.0009 Å
• α: 90°
• β: 97.609 ± 0.004°
• γ: 90°
• Cell volume: 1453.4 ± 0.15 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 1.64
• Diffraction radiation wavelength: 0.710069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No