Information card for entry 4313580

Structure parameters

• Formula: C47 H55 Cl4 F6 N O P3 Rh
• Calculated formula: C45 H51 F6 N O P3 Rh
• SMILES: [Rh]1([P](CCCCc2c(c(c(c(c2C)C)CCCC[P]1(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1)([N]#CC)C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Rh(II) and Rh(I) Two-Legged Piano-Stool Complexes: Structure, Reactivity, and Electronic Properties
• Authors of publication: Felicia M. Dixon; Martin S. Masar; Peter E. Doan; Joshua R. Farrell; Frederick P. Arnold; Chad A. Mirkin; Christopher D. Incarvito; Lev N. Zakharov; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3245 - 3255
• a: 13.5476 ± 0.0007 Å
• b: 13.8306 ± 0.0007 Å
• c: 14.9948 ± 0.0008 Å
• α: 74.551 ± 0.001°
• β: 73.895 ± 0.001°
• γ: 66.046 ± 0.001°
• Cell volume: 2428.7 ± 0.2 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No