Information card for entry 4130502

Structure parameters

• Formula: C44 H56 N4 Ni
• Calculated formula: C44 H56 N4 Ni
• Title of publication: Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2.
• Authors of publication: Börjesson, Marino; Moragas, Toni; Martin, Ruben
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 24
• Pages of publication: 7504 - 7507
• a: 10.9724 ± 0.0005 Å
• b: 13.0726 ± 0.0006 Å
• c: 13.9127 ± 0.0007 Å
• α: 86.6707 ± 0.0013°
• β: 70.5014 ± 0.0012°
• γ: 82.1667 ± 0.0012°
• Cell volume: 1863.44 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1057
• 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: Yes
• Has Fobs: No