Information card for entry 4082409

Structure parameters

• Formula: C23.4 H40 N2 O2.6 Pd
• Calculated formula: C23.4 H40 N2 O2.6 Pd
• Title of publication: Synthesis, Optical Resolution, and Stereochemical Properties of a Rationally Designed Chiral C–N Palladacycle
• Authors of publication: See Leng Yap, Jeanette; Chen, Houguang Jeremy; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 930
• a: 15.002 ± 0.002 Å
• b: 32.905 ± 0.004 Å
• c: 15.089 ± 0.002 Å
• α: 90°
• β: 110.553 ± 0.004°
• γ: 90°
• Cell volume: 6974.4 ± 1.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No