Information card for entry 2101427

Structure parameters

• Common name: Diferrocenyl(phenyl)methanol
• Chemical name: Diferrocenyl(phenyl)methanol
• Formula: C27 H24 Fe2 O
• Calculated formula: C27 H24 Fe2 O
• Title of publication: Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol
• Authors of publication: Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 110 - 121
• a: 9.3999 ± 0.0011 Å
• b: 11.1988 ± 0.0016 Å
• c: 11.972 ± 0.0016 Å
• α: 117.844 ± 0.011°
• β: 98.89 ± 0.01°
• γ: 102.362 ± 0.011°
• Cell volume: 1040.2 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No