Information card for entry 4087723

Structure parameters

• Common name: [Pd(FcPPB)]
• Chemical name: brad33
• Formula: C46 H45 B Cl2 Fe P2 Pd
• Calculated formula: C46 H45 B Cl2 Fe P2 Pd
• Title of publication: Nickel and Palladium Complexes of Ferrocene-Backbone Bisphosphine-Borane and Trisphosphine Ligands
• Authors of publication: Cowie, Bradley E.; Emslie, David J. H.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 4093
• a: 10.478 ± 0.0011 Å
• b: 20.181 ± 0.002 Å
• c: 18.5596 ± 0.0019 Å
• α: 90°
• β: 99.191 ± 0.002°
• γ: 90°
• Cell volume: 3874.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No