Information card for entry 4325363

Structure parameters

• Formula: C49 H49 O P3 Rh n
• Calculated formula: C49 H49 N O P3 Rh
• SMILES: [Rh]12([P](c3c(N2C)cccc3)(c2ccccc2)c2ccccc2)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.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: 11.4776 ± 0.0003 Å
• b: 13.9888 ± 0.0004 Å
• c: 14.1445 ± 0.0004 Å
• α: 93.0113 ± 0.0003°
• β: 105.102 ± 0.0003°
• γ: 108.5 ± 0.0003°
• Cell volume: 2056.47 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No