Information card for entry 7050941

Structure parameters

• Chemical name: rac-2-(diphenylphosphino)ferrocenylmethanol
• Formula: C23 H21 Fe O P
• Calculated formula: C23 H21 Fe O P
• Title of publication: Hydrogen bonding and self-assembly in the crystal structures of ferrocenylmethanol derivatives having different phosphorus substituents on the ferrocene unit
• Authors of publication: Petr Štěpnička; Ivana Císařová
• Journal of publication: New J. Chem.
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1389 - 1396
• a: 7.8638 ± 0.0001 Å
• b: 10.1888 ± 0.0002 Å
• c: 12.027 ± 0.0002 Å
• α: 89.292 ± 0.001°
• β: 81.086 ± 0.001°
• γ: 80.009 ± 0.001°
• Cell volume: 937.46 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0357
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No