Information card for entry 4088223

Structure parameters

• Formula: C36 H40 Co I N2 P3 Si
• Calculated formula: C36 H40 Co I N2 P3 Si
• SMILES: I[Co]12([P](c3ccccc3)(c3ccccc3)CN3[Si]2(N(c2c3cccc2)C[P]1(c1ccccc1)c1ccccc1)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: 19.0107 ± 0.0006 Å
• b: 17.5446 ± 0.0005 Å
• c: 21.335 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7116 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No