Information card for entry 1564310

Structure parameters

• Formula: C18.5 H27 Cl2 N3 O Pd
• Calculated formula: C18.5 H27 Cl2 N3 O Pd
• SMILES: [Pd]12(=C3N(C=CN3c3cc(C)cc(c3O1)C(C)(C)C)CC[N]2(C)C)Cl.ClCCl
• Title of publication: Homo- and copolymerization of norbornene using tridentate IzQO palladium catalysts with dimethylaminoethyl as a side arm
• Authors of publication: Dong, Jie; Wang, Baiquan
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 32
• Pages of publication: 4736 - 4747
• a: 9.5481 ± 0.0005 Å
• b: 15.1927 ± 0.0007 Å
• c: 15.9838 ± 0.0008 Å
• α: 62.136 ± 0.005°
• β: 84.247 ± 0.004°
• γ: 84.451 ± 0.004°
• Cell volume: 2036.2 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 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: 0.0524
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No