Information card for entry 7711728

Structure parameters

• Chemical name: tBu-PNCNP-Pd-H
• Formula: C22 H42 N2 P2 Pd
• Calculated formula: C22 H42 N2 P2 Pd
• SMILES: [PdH]12[P](Nc3c2c(N[P]1(C(C)(C)C)C(C)(C)C)ccc3)(C(C)(C)C)C(C)(C)C
• Title of publication: Reactions and catalytic applications of a PNCNP pincer palladium hydride complex
• Authors of publication: Chang, Jiarui; Ding, Man; Mao, Jia-Xue; Zhang, Jie; Chen, Xuenian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.4139 ± 0.0002 Å
• b: 15.3554 ± 0.0003 Å
• c: 28.04 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4914.43 ± 0.16 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: 0.0541
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No