Information card for entry 1549380

Structure parameters

• Formula: C28 H30 Cl2 N2 O Pd
• Calculated formula: C28 H30 Cl2 N2 O Pd
• SMILES: [Pd]1(Cl)(Cl)[NH]([C@@H]2c3c4c([C@@H]2[NH]1c1c(C)cccc1C)cccc4ccc3)c1c(C)cccc1C.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: 14.0031 ± 0.0004 Å
• b: 17.0473 ± 0.0004 Å
• c: 21.8047 ± 0.0007 Å
• α: 90°
• β: 102.678 ± 0.003°
• γ: 90°
• Cell volume: 5078.2 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No