Information card for entry 4135064

Structure parameters

• Formula: C30 H28 Cl N2 Ni
• Calculated formula: C30 H28 Cl N2 Ni
• Title of publication: Ni(I)-Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO₂ Insertion at Ni(I) Centers.
• Authors of publication: Somerville, Rosie J.; Odena, Carlota; Obst, Marc F.; Hazari, Nilay; Hopmann, Kathrin H.; Martin, Ruben
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 25
• Pages of publication: 10936 - 10941
• a: 18.0288 ± 0.0015 Å
• b: 18.508 ± 0.0014 Å
• c: 22.4157 ± 0.0015 Å
• α: 113.701 ± 0.007°
• β: 90.846 ± 0.007°
• γ: 114.996 ± 0.008°
• Cell volume: 6051.7 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No