Information card for entry 4069815

Structure parameters

• Formula: C52 H48 Cl2 P2 Pd2
• Calculated formula: C52 H48 Cl2 P2 Pd2
• SMILES: c12ccc(C)cc2cc(C)c2c1[Pd]1([Cl][Pd]3(c4c5ccc(C)cc5cc(C)c4[C@@H]([P]3(c3ccccc3)c3ccccc3)C)[Cl]1)[P](c1ccccc1)([C@H]2C)c1ccccc1
• Title of publication: Synthesis, Coordination Characteristics, Conformational Behavior, and Bond Reactivity Studies of a Novel Chiral Phosphapalladacycle Complex
• Authors of publication: Ding, Yi; Chiang, Minyi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4358
• a: 21.9239 ± 0.001 Å
• b: 6.8683 ± 0.0003 Å
• c: 15.0574 ± 0.0007 Å
• α: 90°
• β: 94.667 ± 0.002°
• γ: 90°
• Cell volume: 2259.82 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No