Information card for entry 4342643

Structure parameters

• Formula: C42 H59 N3 Ni O S2
• Calculated formula: C42 H59 N3 Ni O S2
• Title of publication: Synthesis and Reactivity of NHC-Supported Ni2(μ(2)-η(2),η(2)-S2)-Bridging Disulfide and Ni2(μ-S)2-Bridging Sulfide Complexes.
• Authors of publication: Olechnowicz, Frank; Hillhouse, Gregory L.; Jordan, Richard F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2705 - 2712
• a: 14.9869 ± 0.0006 Å
• b: 15.7096 ± 0.0007 Å
• c: 18.9277 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4456.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No