Information card for entry 4080151

Structure parameters

• Common name: Me-PNPiPr Rh (II) acetate
• Formula: C28 H43 N O2 P2 Rh
• Calculated formula: C28 H43 N O2 P2 Rh
• SMILES: [Rh]12([P](C(C)C)(C(C)C)c3c(N2c2c([P]1(C(C)C)C(C)C)cc(cc2)C)ccc(C)c3)OC(=O)C
• 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: 10.394 ± 0.007 Å
• b: 15.819 ± 0.011 Å
• c: 17.659 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2904 ± 3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No