Information card for entry 2224600

Structure parameters

• Common name: 1-[Ferrocenyl(hydroxy)methyl]-1,2-dicarbadocecaborane(12)
• Chemical name: 1-[(ferrocenyl)(hydroxy)methyl]- 1,2-dicarba-<i>closo</i>-dodecaborane
• Formula: C13 H22 B10 Fe O
• Calculated formula: C13 H22 B10 Fe O
• Title of publication: An orthorhombic polymorph of 1-[(ferrocenyl)(hydroxy)methyl]-1,2-dicarba-<i>closo</i>-dodecaborane
• Authors of publication: Chen, Hongwei; Miao, Jinling; Zhu, Peihua; Wang, Daqi; Nie, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m22
• a: 27.051 ± 0.002 Å
• b: 8.9682 ± 0.0007 Å
• c: 29.191 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7081.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes