Information card for entry 4326332

Structure parameters

• Common name: jonsk05
• Chemical name: [(PONOP)NiCl]2 NiCl4
• Formula: C44 H82 Cl10 N2 Ni3 O4 P4
• Calculated formula: C44 H82 Cl10 N2 Ni3 O4 P4
• 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: 12.0398 ± 0.0013 Å
• b: 22.128 ± 0.002 Å
• c: 12.1003 ± 0.0013 Å
• α: 90°
• β: 104.802 ± 0.002°
• γ: 90°
• Cell volume: 3116.7 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No