Information card for entry 7155165

Structure parameters

• Chemical name: Rhodium,dichloro-(1,2,3,4,5-pentamethylcyclopentadienyl)(triphenylphosphine) complex
• Formula: C29 H32 Cl4 P Rh
• Calculated formula: C29 H32 Cl4 P Rh
• SMILES: [Rh]1234(Cl)(Cl)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([C]45C)C)C)C)C.C(Cl)Cl
• Title of publication: Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.
• Authors of publication: Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 28
• Pages of publication: 6821 - 6825
• a: 8.5942 ± 0.0002 Å
• b: 16.888 ± 0.0004 Å
• c: 19.6492 ± 0.0004 Å
• α: 90°
• β: 91.809 ± 0.001°
• γ: 90°
• Cell volume: 2850.44 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No