Information card for entry 4085803

Structure parameters

• Formula: C70 H61 B O2 P2 Pd
• Calculated formula: C70 H61 B O2 P2 Pd
• SMILES: [Pd]123([P](c4ccccc4)(c4ccccc4B(OC(=O)c4ccccc4)(c4ccccc4)c4ccccc4[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[CH2]=[CH]3C2.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Synthesis and Reactivity of Palladium Complexes Featuring a Diphosphinoborane Ligand
• Authors of publication: Schindler, Tobias; Lux, Marcel; Peters, Marius; Scharf, Lennart T.; Osseili, Hassan; Maron, Laurent; Tauchert, Michael E.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1978
• a: 19.511 ± 0.004 Å
• b: 15.966 ± 0.003 Å
• c: 17.786 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5541 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No