Information card for entry 7025137

Structure parameters

• Formula: C27 H42 F3 N O3 P2 Pd S
• Calculated formula: C27 H42 F3 N O3 P2 Pd S
• Title of publication: Heterolytic splitting of H-X bonds at a cationic (PNP)Pd center.
• Authors of publication: Gregor, Lauren C.; Chen, Chung-Hsing; Fafard, Claudia M.; Fan, Lei; Guo, Chengyun; Foxman, Bruce M.; Gusev, Dmitry G.; Ozerov, Oleg V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 13
• Pages of publication: 3195 - 3202
• a: 10.5631 ± 0.0005 Å
• b: 12.1366 ± 0.0007 Å
• c: 14.1091 ± 0.0011 Å
• α: 76.313 ± 0.006°
• β: 84.865 ± 0.006°
• γ: 67.452 ± 0.004°
• Cell volume: 1623.08 ± 0.19 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No