Information card for entry 7120173

Structure parameters

• Chemical name: (PNP)Rh(ZnPh)(Ph)
• Formula: C38 H50 N P2 Rh Zn
• Calculated formula: C38 H50 N P2 Rh Zn
• SMILES: [Rh]12([P](c3c(N1c1c([P]2(C(C)C)C(C)C)cc(cc1)C)ccc(c3)C)(C(C)C)C(C)C)([Zn]c1ccccc1)c1ccccc1
• Title of publication: Formation of (PNP)Rh complexes containing covalent rhodium-zinc bonds in studies of potential Rh-catalysed Negishi coupling
• Authors of publication: Pell, Christopher J.; Shih, Wei-Chun; Gatard, Sylvain; Ozerov, Oleg V.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.751 ± 0.002 Å
• b: 37.418 ± 0.007 Å
• c: 17.055 ± 0.004 Å
• α: 90°
• β: 109.766 ± 0.002°
• γ: 90°
• Cell volume: 7057 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No