Information card for entry 4120989

Structure parameters

• Formula: C38 H47 B2 F8 N P2 Pd2
• Calculated formula: C38 H47 B2 F8 N P2 Pd2
• SMILES: [P]1(C(C)C)(c2c(cccc2)[C]23=[CH]4[CH]5=[C]6(c7c([P](C(C)C)(C(C)C)[Pd]8956[CH]5=[CH]8[CH]6=[CH](c8cc[nH]c58)[Pd]13496)cccc7)C=C2)C(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 31.05 ± 0.006 Å
• b: 15.19 ± 0.003 Å
• c: 20.77 ± 0.004 Å
• α: 90°
• β: 121.85 ± 0.03°
• γ: 90°
• Cell volume: 8321 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7293 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No