Information card for entry 7042215

Structure parameters

• Formula: C52 H40 B2 F11 Fe P3 Pd
• Calculated formula: C52 H40 B2 F11 Fe P3 Pd
• Title of publication: Monodentate phosphine substitution in [Pd(κ(3)-dppf)(PR3)][BF4]2 (dppf = 1,1'-bis(diphenylphosphino)ferrocene) compounds.
• Authors of publication: Cabrera, K. D.; Rowland, A. T.; Szarko, J. M.; Diaconescu, P. L.; Bezpalko, M. W.; Kassel, W. S.; Nataro, C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5702 - 5710
• a: 17.9819 ± 0.0015 Å
• b: 16.6637 ± 0.0014 Å
• c: 17.6944 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5302 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No