Information card for entry 2009668

Structure parameters

• Chemical name: Ferrocenyl(diphenyl)methanol : dimethylsulfoxide 1:1 adduct.
• Formula: C25 H26 Fe O2 S
• Calculated formula: C25 H26 Fe O2 S
• Title of publication: Hydrogen bonding in ferrocene derivatives: structure of the 1:1 adduct of ferrocenyl(diphenyl)methanol and dimethyl sulfoxide
• Authors of publication: Glidewell, Christopher; Zakaria, Choudhury M.; Ferguson, George
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 678 - 681
• a: 7.7174 ± 0.0009 Å
• b: 9.5225 ± 0.0009 Å
• c: 16.1768 ± 0.0019 Å
• α: 99.311 ± 0.008°
• β: 102.708 ± 0.01°
• γ: 103.949 ± 0.009°
• Cell volume: 1096.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.45
• Diffraction radiation wavelength: 0.71067 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No