Information card for entry 7101412

Structure parameters

• Formula: C56 H45 Cl7 O6 P2 Pd
• Calculated formula: C56 H45 Cl7 O6 P2 Pd
• Title of publication: Chiral palladium bis(phosphite) PCP-pincer complexes via ligand C‒H activation
• Authors of publication: Baber, R. Angharad; Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Coles, Simon J.; Haddow, Mairi F.; Hursthouse, Michael B.; Orpen, A. Guy; Pilarski, Lukasz T.; Pringle, Paul G.; Wingada, Richard L.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 37
• Pages of publication: 3880 - 3882
• a: 9.7215 ± 0.0014 Å
• b: 21.165 ± 0.004 Å
• c: 25.864 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5321.8 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No