Information card for entry 4084852

Structure parameters

• Formula: C39 H52 Cl2 N2 O2 Pd
• Calculated formula: C39 H52 Cl2 N2 O2 Pd
• Title of publication: Synthesis, Structures, and Norbornene Polymerization Behavior ofo-Aryloxide-Substituted NHC-Ligated σ, π-Cycloalkenyl Palladium Complexes
• Authors of publication: Dang, Liang; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6812
• a: 9.953 ± 0.002 Å
• b: 10.337 ± 0.002 Å
• c: 18.16 ± 0.004 Å
• α: 97.91 ± 0.03°
• β: 91.96 ± 0.03°
• γ: 93.28 ± 0.03°
• Cell volume: 1845.9 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No