Information card for entry 4068906

Structure parameters

• Formula: C27 H47 B F4 N O2 P2 Rh
• Calculated formula: C27 H47 B F4 N O2 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)(C#[O])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: 8.214 ± 0.0016 Å
• b: 22.253 ± 0.005 Å
• c: 8.355 ± 0.0017 Å
• α: 90°
• β: 93.05 ± 0.03°
• γ: 90°
• Cell volume: 1525 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No