Information card for entry 4068905

Structure parameters

• Formula: C26 H47 B F4 N O P2 Rh
• Calculated formula: C26 H47 B F4 N O P2 Rh
• SMILES: [Rh]12([P](Cc3c2c(c(cc3C)C)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)N=O.[B](F)(F)(F)[F-]
• Title of publication: Synthesis, Structure, and Reactivity of Nitrosyl Pincer-Type Rhodium Complexes
• Authors of publication: Gaviglio, Carina; Ben-David, Yehoshoa; Shimon, Linda J. W.; Doctorovich, Fabio; Milstein, David
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1917
• a: 8.028 ± 0.0016 Å
• b: 8.489 ± 0.0017 Å
• c: 11.453 ± 0.002 Å
• α: 79.77 ± 0.03°
• β: 78.72 ± 0.03°
• γ: 83.25 ± 0.03°
• Cell volume: 750.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No