Information card for entry 4080786

Structure parameters

• Formula: C115 H152 N8 Ni2
• Calculated formula: C115.5 H124 N8 Ni2
• Title of publication: Steric and Electronic Effects in the Formation and Carbon Disulfide Reactivity of Dinuclear Nickel Complexes Supported by Bis(iminopyridine) Ligands
• Authors of publication: Bheemaraju, Amarnath; Beattie, Jeffrey W.; Tabasan, Erwyn G.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 2952
• a: 17.8048 ± 0.0013 Å
• b: 17.958 ± 0.0014 Å
• c: 18.3954 ± 0.0014 Å
• α: 77.063 ± 0.003°
• β: 80.344 ± 0.003°
• γ: 73.745 ± 0.002°
• Cell volume: 5468.5 ± 0.7 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: 0.0888
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No