Information card for entry 4120983

Structure parameters

• Formula: C36 H48 B2 F8 P2 Pd2
• Calculated formula: C36 H48 B2 F8 P2 Pd2
• SMILES: [Pd]123456[Pd]789%10([P](c%11c([C]%128=[CH]7[CH]2=[C]3(c2ccccc2[P]1(C(C)C)C(C)C)[CH]4=[CH]%10%12)cccc%11)(C(C)C)C(C)C)[CH]1=[CH]9CC[CH]6=[CH]51.[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: 11.8911 ± 0.0005 Å
• b: 13.5564 ± 0.0006 Å
• c: 23.4012 ± 0.0011 Å
• α: 90°
• β: 100.514 ± 0.002°
• γ: 90°
• Cell volume: 3708.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1703
• Residual factor for significantly intense reflections: 0.1656
• Weighted residual factors for significantly intense reflections: 0.324
• Weighted residual factors for all reflections included in the refinement: 0.3258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No