Information card for entry 1564311

Structure parameters

• Formula: C32 H34 Cl N3 O Pd
• Calculated formula: C32 H34 Cl N3 O Pd
• SMILES: [Pd]12(=C3N4C(=CN3CC[N]2(C)C)C(c2ccccc2)=C(c2ccccc2)c2c(cc(c(O1)c42)C(C)(C)C)C)Cl
• Title of publication: Homo- and copolymerization of norbornene using tridentate IzQO palladium catalysts with dimethylaminoethyl as a side arm
• Authors of publication: Dong, Jie; Wang, Baiquan
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 32
• Pages of publication: 4736 - 4747
• a: 13.427 ± 0.003 Å
• b: 10.938 ± 0.002 Å
• c: 19.798 ± 0.004 Å
• α: 90°
• β: 107.14 ± 0.03°
• γ: 90°
• Cell volume: 2778.5 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No