Information card for entry 4068907

Structure parameters

• Formula: C26 H47 Cl N O P2 Rh
• Calculated formula: C26 H47 Cl N O P2 Rh
• SMILES: [Rh]12(Cl)([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
• 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: 8.6274 ± 0.0002 Å
• b: 23.1733 ± 0.0007 Å
• c: 14.4164 ± 0.0004 Å
• α: 90°
• β: 94.4112 ± 0.0018°
• γ: 90°
• Cell volume: 2873.67 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No