Information card for entry 1566376

Structure parameters

• Formula: C15 H19 Cl2 Co N3 O
• Calculated formula: C15 H19 Cl2 Co N3 O
• SMILES: [Co]1(Cl)(Cl)N(c2cccc3ccc[n]1c23)C(=O)C[NH+](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: 7.3409 ± 0.0003 Å
• b: 8.2378 ± 0.0003 Å
• c: 14.1911 ± 0.0006 Å
• α: 77.242 ± 0.001°
• β: 85.133 ± 0.002°
• γ: 77.261 ± 0.001°
• Cell volume: 815.8 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No