Information card for entry 4085804

Structure parameters

• Formula: C47 H38 B N P2 Pd
• Calculated formula: C47 H38 B N P2 Pd
• SMILES: [Pd]12([P](c3ccccc3)(c3c([B]2(c2c([P]1(c1ccccc1)c1ccccc1)cccc2)c1ccccc1)cccc3)c1ccccc1)[n]1ccccc1
• 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: 10.01 ± 0.002 Å
• b: 10.217 ± 0.002 Å
• c: 20.291 ± 0.005 Å
• α: 86.589 ± 0.004°
• β: 84.706 ± 0.004°
• γ: 64.757 ± 0.003°
• Cell volume: 1868.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0614
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No