Information card for entry 4518936

Structure parameters

• Formula: C39 H42 N4 O4 P2 Rh2
• Calculated formula: C39 H42 N4 O4 P2 Rh2
• SMILES: [Rh]1234([Rh]5([O]=C(O3)C)(OC(=[O]4)C)([N]#CC)c3ccccc3[P@]1(CCC[P@@]2(c1ccccc1)c1c5cccc1)c1ccccc1)[N]#CC.C(#N)C.N#CC
• Title of publication: Distinct Catalytic Performance of Dirhodium(II) Complexes with ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with Alkoxysilanes
• Authors of publication: Lu, Wenkui; Zhu, Xiaoyu; Yang, Liqun; Wu, Xiaoyu; Xie, Xiaomin; Zhang, Zhaoguo
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 10190 - 10197
• a: 18.358 ± 0.003 Å
• b: 10.6384 ± 0.0011 Å
• c: 20.055 ± 0.002 Å
• α: 90°
• β: 100.967 ± 0.006°
• γ: 90°
• Cell volume: 3845.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No