Information card for entry 4089600

Structure parameters

• Formula: C15 H33 F3 N O3 P2 Rh S
• Calculated formula: C15 H33 F3 N O3 P2 Rh S
• SMILES: [Rh]12([P](C)(C)C)([P](C)(C)C)[CH2]=[CH]1[CH]2=CNC(C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis, Spectroscopy, Structure, and Reactivity of Azapentadienyl-Rhodium-Phosphine and Azapentadienyl-Iridium-Phosphine Complexes1
• Authors of publication: Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6410
• a: 12.999 ± 0.003 Å
• b: 15.004 ± 0.003 Å
• c: 23.641 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4610.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No