Information card for entry 4085777

Structure parameters

• Formula: C34 H39 N O2 S2
• Calculated formula: C34 H39 N O2 S2
• Title of publication: Chiral (SO)‒N‒(SO) Sulfoxide Pincer Complexes of Mg, Rh, and Ir: N‒H Activation and Selective Sulfoxide Reduction upon Ligand Coordination
• Authors of publication: Locke, Harald; Herrera, Alberto; Heinemann, Frank W.; Linden, Anthony; Frieß, Sibylle; Schmid, Bernhard; Dorta, Romano
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1925
• a: 9.76176 ± 0.00014 Å
• b: 10.73671 ± 0.00017 Å
• c: 15.8354 ± 0.0002 Å
• α: 90.6518 ± 0.0012°
• β: 107.775 ± 0.0012°
• γ: 102.129 ± 0.0013°
• Cell volume: 1540.09 ± 0.04 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No