Information card for entry 4081126

Structure parameters

• Formula: C34 H27 B F4 N2 P2 Pd S2
• Calculated formula: C34 H27 B F4 N2 P2 Pd S2
• Title of publication: Influence of the Ligand Backbone in Pincer Complexes: Indenediide-, Indolyl-, and Indenyl-Based SCS Palladium Complexes
• Authors of publication: Lisena, Jérôme; Monot, Julien; Mallet-Ladeira, Sonia; Martin-Vaca, Blanca; Bourissou, Didier
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4301
• a: 14.2556 ± 0.001 Å
• b: 8.9089 ± 0.0007 Å
• c: 26.4797 ± 0.0019 Å
• α: 90°
• β: 93.015 ± 0.002°
• γ: 90°
• Cell volume: 3358.3 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No