Information card for entry 7056993

Structure parameters

• Chemical name: 2017Li01
• Formula: C34 H30 Co N O2 P2
• Calculated formula: C34 H30 Co N O2 P2
• SMILES: C(#[O])[Co]1(C#[O])(C(=N\c2cccc3ccccc23)/c2c(cccc2)[P]1(c1ccccc1)c1ccccc1)[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: 10.289 ± 0.002 Å
• b: 15.896 ± 0.003 Å
• c: 18.982 ± 0.004 Å
• α: 90°
• β: 104.414 ± 0.002°
• γ: 90°
• Cell volume: 3006.9 ± 1 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No