Information card for entry 4132137

Structure parameters

• Formula: C15 H27 Cl2 Co N2 P
• Calculated formula: C15 H27 Cl2 Co N2 P
• SMILES: [Co]12(Cl)(Cl)[P](C(C)C)(CCC[NH]2Cc2[n]1cccc2)C(C)C
• Title of publication: Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.
• Authors of publication: Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 22
• Pages of publication: 6873 - 6882
• a: 16.6705 ± 0.0005 Å
• b: 8.1102 ± 0.0002 Å
• c: 27.7803 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3755.93 ± 0.17 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No