Information card for entry 4086396

Structure parameters

• Formula: C23 H28 Cl N3 O Pd
• Calculated formula: C23 H28 Cl N3 O Pd
• SMILES: [Pd]12(=C3N(C=CN3c3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)Cc1[n]2cccc1)Cl
• Title of publication: Synthesis, Structures, and Norbornene Polymerization Behavior of Palladium Complexes Bearing Tridentateo-Aryloxide-N-heterocyclic Carbene Ligands
• Authors of publication: Yang, Dandan; Tang, Yungang; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1392
• a: 34.78 ± 0.02 Å
• b: 6.979 ± 0.004 Å
• c: 19.355 ± 0.013 Å
• α: 90°
• β: 114.29 ± 0.007°
• γ: 90°
• Cell volume: 4282 ± 5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No