Information card for entry 1550968

Structure parameters

• Common name: Moris565b (Mingyuan Li)
• Formula: C79 H64 Cl2 N3 O Pd
• Calculated formula: C79 H64 Cl2 N3 O Pd
• SMILES: [Pd]123(Oc4c([N]1=C1N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(C)cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)cccc4)C[CH]2=[CH2]3.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: 11.1555 ± 0.0012 Å
• b: 13.2102 ± 0.0014 Å
• c: 21.891 ± 0.002 Å
• α: 75.266 ± 0.002°
• β: 86.56 ± 0.002°
• γ: 88.068 ± 0.002°
• Cell volume: 3113.7 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No