Information card for entry 4065882

Structure parameters

• Common name: [Rh2(dippe)2(u-H)(u-S-4-MeC12H8), 4
• Formula: C41 H76 P4 Rh2 S
• Calculated formula: C41 H76 P4 Rh2 S
• SMILES: [Rh]123([Rh]4([H]1)([P](CC[P]4(C(C)C)C(C)C)(C(C)C)C(C)C)[S]3c1c(cccc1c1ccccc1)C)[P](CC[P]2(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Carbon−Sulfur Bond Activation of Dibenzothiophenes and Phenoxythiin by [Rh(dippe)(μ-H)]2and [Rh2(dippe)2(μ-Cl)(μ-H)]†
• Authors of publication: Oster, Stephen S.; Grochowski, Matthew R.; Lachicotte, Rene J.; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4923
• a: 8.8482 ± 0.0014 Å
• b: 24.78 ± 0.004 Å
• c: 20.581 ± 0.003 Å
• α: 90°
• β: 95.548 ± 0.003°
• γ: 90°
• Cell volume: 4491.4 ± 1.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No