Information card for entry 2019491

Structure parameters

• Chemical name: <i>rac</i>-1-[(<i>N</i>,4-Dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphoryl)ferrocene‒<i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphanyl)ferrocene (0.45/0.55)
• Formula: C31 H30 Fe N O2 P S
• Calculated formula: C31 H30 Fe N O2.45 P S
• Title of publication: The cocrystal <i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphoryl)ferrocene‒<i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphanyl)ferrocene (0.45/0.55)
• Authors of publication: Wei, Muh-Mei; Audin, Catherine; Manoury, Eric; Deydier, Eric; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: 281 - 284
• a: 10.4675 ± 0.0007 Å
• b: 10.5147 ± 0.0006 Å
• c: 13.1941 ± 0.0008 Å
• α: 108.426 ± 0.003°
• β: 101.31 ± 0.004°
• γ: 96.791 ± 0.003°
• Cell volume: 1325.38 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes