Information card for entry 4079957

Structure parameters

• Formula: C32 H64 Li N Ni O2 P2
• Calculated formula: C32 H64 Li N Ni O2 P2
• Title of publication: Anionic Nickel(II) Complexes with Doubly Deprotonated PNP Pincer-Type Ligands and Their Reactivity toward CO2
• Authors of publication: Vogt, Matthias; Rivada-Wheelaghan, Orestes; Iron, Mark A.; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 300
• a: 11.633 ± 0.002 Å
• b: 11.75 ± 0.002 Å
• c: 14.916 ± 0.003 Å
• α: 84.54 ± 0.02°
• β: 70.92 ± 0.03°
• γ: 66.44 ± 0.03°
• Cell volume: 1764.7 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No