Information card for entry 4326336

Structure parameters

• Common name: jonsk03_4a
• Chemical name: (H-PONOP)NiCl
• Formula: C21 H40 Cl N Ni O2 P2
• Calculated formula: C21 H40 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: 8.3879 ± 0.0016 Å
• b: 11.824 ± 0.002 Å
• c: 13.358 ± 0.003 Å
• α: 99.784 ± 0.004°
• β: 95.584 ± 0.004°
• γ: 103.959 ± 0.004°
• Cell volume: 1253.7 ± 0.4 ų
• Cell temperature: 173 ± 0.5 K
• Ambient diffraction temperature: 173 ± 0.5 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: 0.0873
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No