Information card for entry 1549590

Structure parameters

• Formula: C15 H29 B2 Cl2 Co F8 N5 O
• Calculated formula: C15 H29 B2 Cl2 Co F8 N5 O
• SMILES: [Co]12(Cl)(Cl)[n]3c(cccc3C[N]32CC[NH2+]CC3)C[N]21CC[NH2+]CC2.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O
• Title of publication: Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex
• Authors of publication: Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 3469
• a: 6.838 ± 0.0014 Å
• b: 13.077 ± 0.003 Å
• c: 13.377 ± 0.003 Å
• α: 89.44 ± 0.03°
• β: 78.44 ± 0.03°
• γ: 82.78 ± 0.03°
• Cell volume: 1162.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No