Information card for entry 7711350

Structure parameters

• Formula: C39 H30 B F9 P2 Pd
• Calculated formula: C39 H30 B F9 P2 Pd
• SMILES: [Pd]123([P](c4ccccc4)(c4ccccc4)CC[P]1(c1ccccc1)c1ccccc1)C(c1c(F)c(F)c(F)c(F)c1F)[c]12[cH]3cccc1.[B](F)(F)(F)[F-]
• Title of publication: Diazo Compounds and Palladium-Aryl Complexes: Trapping the Elusive Carbene Migratory Insertion Organometallic Products
• Authors of publication: Villalba, Francisco; Albeniz, Ana Carmen
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.5211 ± 0.0004 Å
• b: 10.1127 ± 0.0004 Å
• c: 21.196 ± 0.0007 Å
• α: 91.301 ± 0.003°
• β: 95.754 ± 0.003°
• γ: 93.117 ± 0.004°
• Cell volume: 1813.87 ± 0.13 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No