Information card for entry 4084425

Structure parameters

• Formula: C30 H24 Cl N3 Ni O2
• Calculated formula: C30 H24 Cl N3 Ni O2
• SMILES: [Ni]12([N]3=C(c4c(N2c2c(C5=[N]1[C@@H](c1ccccc1)CO5)cccc2)cccc4)OC[C@@H]3c1ccccc1)Cl
• 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: 9.2393 ± 0.0007 Å
• b: 14.5649 ± 0.0014 Å
• c: 19.245 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2589.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No