Information card for entry 4089248

Structure parameters

• Formula: C35 H34 Cl4 N4 Pd
• Calculated formula: C35 H34 Cl4 N4 Pd
• SMILES: [Pd]1(Cl)(Cl)=C2N(c3c(N2[C@@H]2[C@@H](N4C=1N(c1cccc(c41)C)c1ccccc1)CCCC2)c(ccc3)C)c1ccccc1.ClCCl.[Pd]1(Cl)(Cl)=C2N(c3c(N2[C@H]2[C@H](N4C=1N(c1cccc(c41)C)c1ccccc1)CCCC2)c(ccc3)C)c1ccccc1.ClCCl
• Title of publication: N,N′-Bisaryl Substituted Chiral Linker-Bridged Bis(N-Heterocyclic Carbene) Palladium Complexes: Design, Synthesis, and Catalytic Properties
• Authors of publication: Tang, Junkai; He, Yu; Yu, Jianfeng; Zhang, Dao
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1372
• a: 9.1954 ± 0.0011 Å
• b: 10.4431 ± 0.0012 Å
• c: 18.338 ± 0.002 Å
• α: 99.9 ± 0.002°
• β: 90.312 ± 0.002°
• γ: 105.508 ± 0.002°
• Cell volume: 1669.1 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No