Information card for entry 4333698

Structure parameters

• Formula: C85 H73 Ni2 P5
• Calculated formula: C85.5 H65 Ni2 P5
• Title of publication: Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies
• Authors of publication: Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1454 - 1465
• a: 12.7404 ± 0.0004 Å
• b: 12.8703 ± 0.0004 Å
• c: 24.2765 ± 0.0007 Å
• α: 77.185 ± 0.002°
• β: 88.302 ± 0.002°
• γ: 61.962 ± 0.002°
• Cell volume: 3413.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1189
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No