Information card for entry 4086398

Structure parameters

• Formula: C48 H60 N4 O2 Pd
• Calculated formula: C48 H60 N4 O2 Pd
• SMILES: [Pd]12(Oc3c(cc(cc3N3C=CN([C@H]13)Cc1ccccc1)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1N1C=CN([C@H]21)Cc1ccccc1)C(C)(C)C)C(C)(C)C.[Pd]12(Oc3c(cc(cc3N3C=CN([C@@H]13)Cc1ccccc1)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1N1C=CN([C@@H]21)Cc1ccccc1)C(C)(C)C)C(C)(C)C
• 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: 14.767 ± 0.003 Å
• b: 28.263 ± 0.005 Å
• c: 10.572 ± 0.002 Å
• α: 90°
• β: 101.246 ± 0.003°
• γ: 90°
• Cell volume: 4327.6 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No