Information card for entry 4063551

Structure parameters

• Common name: in paper 1b
• Formula: C69 H72 B3 F9 K3 O9 P3
• Calculated formula: C69 H72 B3 F9 K3 O9 P3
• Title of publication: Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands
• Authors of publication: Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 4236
• a: 15.9374 ± 0.0003 Å
• b: 16.0937 ± 0.0003 Å
• c: 17.2241 ± 0.0002 Å
• α: 101.12 ± 0.0009°
• β: 101.464 ± 0.001°
• γ: 118.861 ± 0.0006°
• Cell volume: 3570.84 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No