Information card for entry 7224271

Structure parameters

• Formula: C41 H46 Cl4 Cu N2
• Calculated formula: C41 H46 Cl4 Cu N2
• SMILES: [N]1(c2c(cccc2C(C)C)C(C)C)=C2C(C3c4c(C2c2c3cccc2)cccc4)=[N]([Cu]1(Cl)Cl)c1c(cccc1C(C)C)C(C)C.ClCCl
• Title of publication: Palladium(II) and copper(II) chloride complexes bearing bulky α-diimine ligands as catalysts for norbornene vinyl-addition (co)polymerization
• Authors of publication: tian, jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.373 ± 0.002 Å
• b: 16.272 ± 0.003 Å
• c: 19.788 ± 0.004 Å
• α: 90°
• β: 99.265 ± 0.003°
• γ: 90°
• Cell volume: 3932 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1533
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No