Information card for entry 7103963

Structure parameters

• Common name: (Et4N)2[Ni2(ArPSO)2]
• Formula: C42 H56 N4 Ni2 O4 S2
• Calculated formula: C42 H56 N4 Ni2 O4 S2
• Title of publication: Dioxygen activation by a dinuclear nickel thiolate complex: structural characterization of the ligand oxidized product
• Authors of publication: Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 410 - 411
• a: 13.0112 ± 0.001 Å
• b: 13.8925 ± 0.0011 Å
• c: 22.1485 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4003.5 ± 0.5 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No