Information card for entry 7120096

Structure parameters

• Formula: C34 H39 Co N2 P2
• Calculated formula: C34 H39 Co N2 P2
• SMILES: [CoH]123[P](CCC[N]2=C(C(=[N]3CCC[P]1(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1
• Title of publication: Hydroboration of Alkynes and Nitriles Using an α-Diimine Cobalt Hydride Catalyst
• Authors of publication: Ben-Daat, Hagit; Rock, Christopher L.; Flores, Marco; Groy, Thomas L.; Bowman, Amanda C.; Trovitch, Ryan J.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 17.6171 ± 0.0009 Å
• b: 9.4154 ± 0.0005 Å
• c: 18.1381 ± 0.0009 Å
• α: 90°
• β: 101.356 ± 0.001°
• γ: 90°
• Cell volume: 2949.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No