Information card for entry 4084707

Structure parameters

• Common name: (POCOP)Rh(NPh(CH2))
• Formula: C25 H38 N O2 P2 Rh
• Calculated formula: C25 H38 N O2 P2 Rh
• SMILES: C=[N](c1ccccc1)[Rh]12c3c(O[P]1(C(C)C)C(C)C)cccc3O[P]2(C(C)C)C(C)C
• Title of publication: Fate of Aryl/Amido Complexes of Rhodium(III) Supported by a POCOP Pincer Ligand: C‒N Reductive Elimination, β-Hydrogen Elimination, and Relevance to Catalysis
• Authors of publication: Timpa, Samuel D.; Pell, Christopher J.; Zhou, Jia; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5254
• a: 7.862 ± 0.003 Å
• b: 16.139 ± 0.007 Å
• c: 10.465 ± 0.004 Å
• α: 90°
• β: 102.499 ± 0.004°
• γ: 90°
• Cell volume: 1296.4 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0621
• 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