Information card for entry 4070136

Structure parameters

• Formula: C46 H54 N4 O2 Pd
• Calculated formula: C46 H54 N4 O2 Pd
• SMILES: c1(ccccc1)N1C2N(C=C1)c1cc(cc(c1O[Pd]1=2=C2N(c3ccccc3)C=CN2c2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Palladium Complexes
• Authors of publication: Kong, Yong; Ren, Hongping; Xu, Shansheng; Song, Haibin; Liu, Binyuan; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 5934
• a: 19.12 ± 0.004 Å
• b: 17.663 ± 0.004 Å
• c: 12.449 ± 0.003 Å
• α: 90°
• β: 109.78 ± 0.03°
• γ: 90°
• Cell volume: 3956.2 ± 1.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No