Information card for entry 1549379

Structure parameters

• Formula: C36 H46 Cl2 N2 O Pd
• Calculated formula: C36 H46 Cl2 N2 O Pd
• SMILES: [Pd]1(Cl)(Cl)[NH]([C@H]2c3cccc4c3c([C@H]2[NH]1c1c(cccc1C(C)C)C(C)C)ccc4)c1c(cccc1C(C)C)C(C)C.O
• 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: 11.5645 ± 0.0001 Å
• b: 21.3415 ± 0.0003 Å
• c: 13.8095 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3408.24 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No