Information card for entry 4082753

Structure parameters

• Formula: C19 H40 F3 O3 P2 Rh S
• Calculated formula: C19 H40 F3 O3 P2 Rh S
• SMILES: [Rh]12(OS(=[O]2)(=O)C(F)(F)F)[P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Reactivity of Three-Coordinate (dtbpe)Rh Silylamides: CO2Bond Cleavage by a Rhodium(I) Disilylamide
• Authors of publication: Whited, Matthew T.; Kosanovich, Alex J.; Janzen, Daron E.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 1416
• a: 11.5474 ± 0.0009 Å
• b: 10.7776 ± 0.0008 Å
• c: 20.7067 ± 0.0016 Å
• α: 90°
• β: 93.141 ± 0.007°
• γ: 90°
• Cell volume: 2573.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No