Information card for entry 4084424

Structure parameters

• Formula: C36 H36 Cl N3 O3.5 Pd
• Calculated formula: C36 H24 Cl N3 O3.5 Pd
• SMILES: [Pd]12(N(c3c(C4=[N]1[C@@H](c1ccccc1)CO4)cccc3)c1ccccc1C1=[N]2[C@H](CO1)c1ccccc1)Cl.O1CCCC1.O1CCCC1
• Title of publication: Chiral Palladium(II) and Nickel(II) Complexes withC2-Symmetrical Tridentate Bis(oxazoline) Ligands: Synthesis, Characterization, and Catalytic Norbornene Polymerization
• Authors of publication: He, Jianyun; Liu, Zhanxiong; Du, Gaixia; Fu, Yinxia; Zhang, Shaowen; Li, Xiaofang
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6103
• a: 27.0319 ± 0.001 Å
• b: 11.1259 ± 0.0003 Å
• c: 22.0484 ± 0.0008 Å
• α: 90°
• β: 92.614 ± 0.003°
• γ: 90°
• Cell volume: 6624.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No