Information card for entry 1566377

Structure parameters

• Formula: C15 H21 Cl2 Co N3
• Calculated formula: C15 H21 Cl2 Co N3
• SMILES: [Co]12(Cl)(Cl)[NH](c3cccc4ccc[n]1c34)CC[N]2(CC)CC
• Title of publication: Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts
• Authors of publication: Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1843 - 1849
• a: 16.65 ± 0.0009 Å
• b: 24.8705 ± 0.0012 Å
• c: 7.9667 ± 0.0005 Å
• α: 90°
• β: 90.49 ± 0.002°
• γ: 90°
• Cell volume: 3298.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No