Information card for entry 4313876

Structure parameters

• Formula: C50 H47 Cl N5 O3 P2 Rh
• Calculated formula: C50 H47 Cl N5 O3 P2 Rh
• SMILES: [Rh]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)OC(=N[N]1=Cc1c2cc(N(=O)=O)cc1)N(CC)CC.N#CC
• Title of publication: Unprecedented Chemical Transformation of Semicarbazones Mediated by Wilkinson's Catalyst
• Authors of publication: Indrani Pal; Swati Dutta; Falguni Basuli; Savitha Goverdhan; Shie-Ming Peng; Gene-Hsiang Lee; Samaresh Bhattacharya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4338 - 4345
• a: 24.288 ± 0.005 Å
• b: 17.01 ± 0.005 Å
• c: 25.114 ± 0.005 Å
• α: 90 ± 0.005°
• β: 114.37 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 9451 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1825
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No