Information card for entry 7056990

Structure parameters

• Formula: C35 H38 Co I N P3
• Calculated formula: C35 H38 Co I N P3
• SMILES: I[Co]12([P](c3c(cccc3)C1=Nc1c2ccc2c1cccc2)(c1ccccc1)c1ccccc1)([P](C)(C)C)[P](C)(C)C
• Title of publication: Phosphine-assisted C‒H bond activation in Schiff bases and formation of novel organo cobalt complexes bearing Schiff base ligands
• Authors of publication: Zhang, Hua; Xing, Junyang; Dong, Yanhong; Xie, Shangqing; Ren, Shishuai; Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 4646
• a: 8.868 ± 0.0003 Å
• b: 15.558 ± 0.0005 Å
• c: 23.326 ± 0.0006 Å
• α: 90°
• β: 100.659 ± 0.002°
• γ: 90°
• Cell volume: 3162.72 ± 0.17 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 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: 0.0303
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No