Information card for entry 7224269

Structure parameters

• Formula: C40 H44 Cl2 N2 Pd
• Calculated formula: C40 H44 Cl2 N2 Pd
• SMILES: [Pd]1([N](c2c(C(C)C)cccc2C(C)C)=C2C(C3c4c(cccc4)C2c2c3cccc2)=[N]1c1c(C(C)C)cccc1C(C)C)(Cl)Cl
• 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: 22.5512 ± 0.0015 Å
• b: 10.857 ± 0.0007 Å
• c: 17.8588 ± 0.0012 Å
• α: 90°
• β: 122.115 ± 0.001°
• γ: 90°
• Cell volume: 3703.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No