Information card for entry 4069811

Structure parameters

• Formula: C52 H48 Cl2 P2 Pd2
• Calculated formula: C52 H48 Cl2 P2 Pd2
• SMILES: c12c3ccc(C)cc3cc(c1[C@H]([P](c1ccccc1)(c1ccccc1)[Pd]12[Cl][Pd]2(c3c4ccc(C)cc4cc(C)c3[C@H]([P]2(c2ccccc2)c2ccccc2)C)[Cl]1)C)C
• 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: 21.8837 ± 0.0011 Å
• b: 6.7962 ± 0.0004 Å
• c: 15.0892 ± 0.0008 Å
• α: 90°
• β: 94.418 ± 0.003°
• γ: 90°
• Cell volume: 2237.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No