Information card for entry 4120988

Structure parameters

• Formula: C39 H49 B2 F8 N O2 P2 Pd2 S
• Calculated formula: C39 H49 B2 F8 N O2 P2 Pd2 S
• Title of publication: Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules
• Authors of publication: Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 15830 - 15840
• a: 9.9974 ± 0.0004 Å
• b: 14.9331 ± 0.0006 Å
• c: 28.0415 ± 0.0011 Å
• α: 90°
• β: 94.887 ± 0.002°
• γ: 90°
• Cell volume: 4171.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 9
• 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: 0.0243
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No