Information card for entry 4514102

Structure parameters

• Formula: C21 H39 Cl Co N P2
• Calculated formula: C21 H39 Cl Co N P2
• SMILES: [Co]12([P](c3ccccc3C[NH]2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)Cl
• Title of publication: Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes
• Authors of publication: Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 2500
• a: 14.2619 ± 0.0007 Å
• b: 8.3444 ± 0.0004 Å
• c: 19.9331 ± 0.0011 Å
• α: 90°
• β: 96.477 ± 0.003°
• γ: 90°
• Cell volume: 2357 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0415
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No