Information card for entry 2222443

Structure parameters

• Chemical name: (<i>S</i>)-1-(1-Ferrocenylmethyl-1<i>H</i>-benzimidazol-2-yl)ethanol monohydrate
• Formula: C20 H22 Fe N2 O2
• Calculated formula: C20 H22 Fe N2 O2
• Title of publication: (<i>S</i>)-1-(1-Ferrocenylmethyl-1<i>H</i>-benzimidazol-2-yl)ethanol monohydrate
• Authors of publication: Xia, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m835
• a: 7.678 ± 0.005 Å
• b: 12.48 ± 0.008 Å
• c: 19.428 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1862 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes