Information card for entry 1550969

Structure parameters

• Common name: Moris563b (Mingyuan Li)
• Formula: C32 H42 Cl2 N3 O P Pd
• Calculated formula: C32 H42 Cl2 N3 O P Pd
• SMILES: [Pd]1([P](C)(C)C)(Oc2ccccc2[N]1=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C.ClCCl
• Title of publication: Norbornene polymerization and copolymerization with 1-alkenes by neutral palladium complexes bearing aryloxide imidazolin-2-imine ligand
• Authors of publication: Li, Mingyuan; Zhang, Hu; Cai, Zhengguo; Eisen, Moris S.
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 2741
• a: 13.5869 ± 0.0009 Å
• b: 14.2487 ± 0.001 Å
• c: 19.0045 ± 0.0013 Å
• α: 104.632 ± 0.001°
• β: 90.537 ± 0.001°
• γ: 111.587 ± 0.001°
• Cell volume: 3288.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No