Information card for entry 7062320

Structure parameters

• Formula: C20 H25 Cl2 Co N3
• Calculated formula: C20 H25 Cl2 Co N3
• SMILES: c1c(cccc1)[N]1=C2CCCc3c2[n]2c(cc3)C[N](CC)(CC)[Co]12(Cl)Cl
• Title of publication: Hydrosilylative reduction of secondary amides to amines catalyzed by geometry-constrained NNN-cobalt complexes
• Authors of publication: Dong, Shuting; Zong, Zhijian; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan; Jin, Liqun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 5603 - 5610
• a: 11.1324 ± 0.0003 Å
• b: 11.1382 ± 0.0003 Å
• c: 16.7579 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2077.89 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No