Information card for entry 4086748

Structure parameters

• Formula: C50.31 H77.22 Cl2 N2 Ni P1.17
• Calculated formula: C50.3261 H77.2396 Cl2 N2 Ni P1.17318
• Title of publication: Heteroleptic Nickel Complexes for the Markovnikov-Selective Hydroboration of Styrenes
• Authors of publication: Touney, Eric E.; Van Hoveln, Ryan; Buttke, Carl T.; Freidberg, Michael D.; Guzei, Ilia A.; Schomaker, Jennifer M.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3436
• a: 21.649 ± 0.006 Å
• b: 21.671 ± 0.006 Å
• c: 22.852 ± 0.007 Å
• α: 71.1 ± 0.007°
• β: 79.041 ± 0.005°
• γ: 88.03 ± 0.017°
• Cell volume: 9954 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.057
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No