Information card for entry 4085779

Structure parameters

• Formula: C55 H60 Cl3 N O Rh S2
• Calculated formula: C55 H60 Cl3 N O Rh S2
• SMILES: [Rh]12([S](=O)(c3ccc(cc3)C)c3cc(ccc3[NH]2c2ccc(cc2[S]1c1ccc(cc1)C)C(C)(C)C)C(C)(C)C)(Cl)(Cl)Cl.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 12.4011 ± 0.0008 Å
• b: 13.7958 ± 0.0008 Å
• c: 16.224 ± 0.0009 Å
• α: 73.207 ± 0.004°
• β: 89.745 ± 0.005°
• γ: 72.852 ± 0.005°
• Cell volume: 2529.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No