Information card for entry 4088224

Structure parameters

• Formula: C36 H41 Cl Co N2 P3 Si
• Calculated formula: C36 H41 Cl Co N2 P3 Si
• SMILES: [CoH]12([P](c3ccccc3)(c3ccccc3)CN3[Si]2(N(c2c3cccc2)C[P]1(c1ccccc1)c1ccccc1)C)(Cl)[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: 11.0514 ± 0.0003 Å
• b: 18.43 ± 0.0005 Å
• c: 17.5607 ± 0.0005 Å
• α: 90°
• β: 95.886 ± 0.001°
• γ: 90°
• Cell volume: 3557.86 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No