Information card for entry 4120987

Structure parameters

• Formula: C35 H46 B2 F8 O P2 Pd2
• Calculated formula: C35 H46 B2 F8 O P2 Pd2
• SMILES: [CH]12[CH]3=[CH]4O[C]=1(C)[Pd]15672[Pd]28934[P](c3c(cccc3)[C]38=[CH]2[CH]6=[C]5(c2c([P]1(C(C)C)C(C)C)cccc2)[CH]7=[CH]93)(C(C)C)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: 11.88 ± 0.002 Å
• b: 19.07 ± 0.004 Å
• c: 16.44 ± 0.003 Å
• α: 90 ± 0.03°
• β: 98.53 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 3683.3 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7293 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No