Information card for entry 2235091

Structure parameters

• Chemical name: (<i>R</i>)-2-[(Dimethylamino)methyl]-1,1'-bis(diphenylphosphinothioyl)ferrocene dichloromethane monosolvate
• Formula: C38 H37 Cl2 Fe N P2 S2
• Calculated formula: C37 H35 Fe N P2 S2
• Title of publication: (<i>R</i>)-2-[(Dimethylamino)methyl]-1,1'-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate
• Authors of publication: Philippe, Elisabeth; Manoury, Eric; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m799 - m800
• a: 8.9493 ± 0.0003 Å
• b: 16.8206 ± 0.0007 Å
• c: 23.7697 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3578.1 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes