Information card for entry 4088222

Structure parameters

• Formula: C39 H49 Co N2 P4 Si
• Calculated formula: C39 H49 Co N2 P4 Si
• SMILES: [Co]12([Si]3(N(c4c(N3C[P]1(c1ccccc1)c1ccccc1)cccc4)C[P]2(c1ccccc1)c1ccccc1)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: Synthesis and Reactivity of N-Heterocyclic PSiP Pincer Iron and Cobalt Complexes and Catalytic Application of Cobalt Hydride in Kumada Coupling Reactions
• Authors of publication: Xiong, Zichang; Li, Xiaoyan; Zhang, Shumiao; Shi, Yaomin; Sun, Hongjian
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 3
• Pages of publication: 357
• a: 10.1868 ± 0.0003 Å
• b: 17.4456 ± 0.0006 Å
• c: 21.5534 ± 0.0008 Å
• α: 81.77 ± 0.003°
• β: 86.79 ± 0.003°
• γ: 88.505 ± 0.003°
• Cell volume: 3784.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0501
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No