Information card for entry 1566336

Structure parameters

• Formula: C50 H94 B2 N6 Ni2 P4
• Calculated formula: C50 H94 B2 N6 Ni2 P4
• Title of publication: Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds
• Authors of publication: Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2391 - 2404
• a: 10.5516 ± 0.0006 Å
• b: 11.9228 ± 0.0009 Å
• c: 13.7755 ± 0.0012 Å
• α: 103.985 ± 0.007°
• β: 111.062 ± 0.007°
• γ: 90.654 ± 0.005°
• Cell volume: 1560 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1188
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No