Information card for entry 4326341

Structure parameters

• Common name: jonsk13
• Chemical name: NiCl(PONOP)
• Formula: C21 H39 Cl N Ni O2 P2
• Calculated formula: C21 H39 Cl N Ni O2 P2
• Title of publication: Synthesis and Reactivity of New Ni, Pd, and Pt 2,6-Bis(di-tert-butylphosphinito)pyridine Pincer Complexes
• Authors of publication: Sabuj Kundu; William W. Brennessel; William D. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9443 - 9453
• a: 8.2998 ± 0.0019 Å
• b: 12.048 ± 0.003 Å
• c: 13.204 ± 0.003 Å
• α: 99.959 ± 0.004°
• β: 96.29 ± 0.004°
• γ: 104.381 ± 0.004°
• Cell volume: 1243.5 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1278
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No