Information card for entry 4080149

Structure parameters

• Common name: MePNPRhOTF
• Formula: C27 H40 F3 N O3 P2 Rh S
• Calculated formula: C27 H40 F3 N O3 P2 Rh S
• Title of publication: Monomeric Rhodium(II) Complexes Supported by a Diarylamido/Bis(phosphine) PNP Pincer Ligand and Their Reactivity Toward Dihydrogen
• Authors of publication: Smith, Dan A.; Herbert, David E.; Walensky, Justin R.; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 2050
• a: 17.845 ± 0.005 Å
• b: 10.692 ± 0.003 Å
• c: 18.267 ± 0.006 Å
• α: 90°
• β: 118.197 ± 0.003°
• γ: 90°
• Cell volume: 3071.7 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No