Information card for entry 1549610

Structure parameters

• Chemical name: (Triphenylmethylthiolato)-(N,N'-bis(2,6-di-isopropylphenyl)-pentane2,4-di-iminato)-nickel(II)
• Formula: C51 H59 N2 Ni S
• Calculated formula: C51 H59 N2 Ni S
• Title of publication: Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N₂O reduction.
• Authors of publication: Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 31
• Pages of publication: 6580 - 6588
• a: 13.0333 ± 0.0006 Å
• b: 16.6343 ± 0.0007 Å
• c: 19.8726 ± 0.0009 Å
• α: 90°
• β: 96.392 ± 0.002°
• γ: 90°
• Cell volume: 4281.6 ± 0.3 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0777
• 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: No
• Has Fobs: No