Information card for entry 4080152

Structure parameters

• Common name: MePNPRh(II) para-fluorophenoxide
• Formula: C32 H44 F N O P2 Rh
• Calculated formula: C32 H44 F N O P2 Rh
• SMILES: c12c(cc(cc1)C)[P](C(C)C)(C(C)C)[Rh]1(N2c2c(cc(cc2)C)[P]1(C(C)C)C(C)C)Oc1ccc(cc1)F
• 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: 26.147 ± 0.015 Å
• b: 14.062 ± 0.008 Å
• c: 8.548 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3143 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No