Information card for entry 4325365

Structure parameters

• Formula: C58 H70 I O3 P3 Rh n
• Calculated formula: C58 H70 I N O3 P3 Rh
• SMILES: I[Rh]12([P](c3c(N2C)cccc3)(c2ccccc2)c2ccccc2)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C.O(CC)CC.O1CCCC1.O1CCCC1
• Title of publication: Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium
• Authors of publication: Lindsay J. Hounjet; Robert McDonald; Michael J. Ferguson; Martin Cowie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5361 - 5378
• a: 16.0575 ± 0.0009 Å
• b: 14.3966 ± 0.0008 Å
• c: 23.1868 ± 0.0013 Å
• α: 90°
• β: 91.6909 ± 0.0007°
• γ: 90°
• Cell volume: 5357.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No