Information card for entry 7036291

Structure parameters

• Formula: C56 H34 B F15 N2 P2 Pd
• Calculated formula: C56 H34 B F15 N2 P2 Pd
• SMILES: [Pd]12([P](C(c3[n]2c(ccc3)C[N]1=P(c1ccccc1)(c1ccccc1)c1ccccc1)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1)C
• Title of publication: Palladium(ii) complexes featuring a mixed phosphine-pyridine-iminophosphorane pincer ligand: synthesis and reactivity.
• Authors of publication: Cheisson, Thibault; Auffrant, Audrey
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2069 - 2078
• a: 14.503 ± 0.001 Å
• b: 14.797 ± 0.001 Å
• c: 17.647 ± 0.001 Å
• α: 78.966 ± 0.001°
• β: 69.404 ± 0.001°
• γ: 72.013 ± 0.001°
• Cell volume: 3357.2 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0557
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No