Information card for entry 1549378

Structure parameters

• Formula: C20 H28 Cl2 N2 Pd
• Calculated formula: C20 H28 Cl2 N2 Pd
• SMILES: [Pd]1(Cl)(Cl)[NH]([C@H]([C@@H]([NH]1c1c(cccc1C)C)C)C)c1c(cccc1C)C.[Pd]1(Cl)(Cl)[NH]([C@@H]([C@H]([NH]1c1c(cccc1C)C)C)C)c1c(cccc1C)C
• Title of publication: Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations
• Authors of publication: Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 3088
• a: 13.5058 ± 0.0003 Å
• b: 13.9638 ± 0.0003 Å
• c: 21.6147 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4076.4 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No