Information card for entry 1548362

Structure parameters

• Formula: C15 H23 Br2 Co N3 O2
• Calculated formula: C15 H23 Br2 Co N3 O2
• SMILES: Br[Co]12([N]3(CCOCC3)Cc3[n]1c(ccc3)C[N]12CCOCC1)Br
• Title of publication: Phosphine-free cobalt pincer complex catalyzed Z-selective semi-hydrogenation of unbiased alkynes
• Authors of publication: Landge, Vinod G.; Pitchaimani, Jayaraman; Midya, Siba P.; Subaramanian, Murugan; Madhu, Vedichi; Balaraman, Ekambaram
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 428
• a: 10.2514 ± 0.0004 Å
• b: 14.6308 ± 0.0006 Å
• c: 12.6552 ± 0.0005 Å
• α: 90°
• β: 92.105 ± 0.004°
• γ: 90°
• Cell volume: 1896.82 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No