Information card for entry 4086713

Structure parameters

• Common name: jonsc14
• Chemical name: (tBu-PONOP)W(CO)3
• Formula: C24 H39 N O5 P2 W
• Calculated formula: C24 H39 N O5 P2 W
• Title of publication: Synthesis, Characterization, and Reactivities of Molybdenum and Tungsten PONOP Pincer Complexes
• Authors of publication: Castro-Rodrigo, Ruth; Chakraborty, Sumit; Munjanja, Lloyd; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 18
• Pages of publication: 3124
• a: 14.8572 ± 0.0016 Å
• b: 13.1404 ± 0.0014 Å
• c: 15.5556 ± 0.0016 Å
• α: 90°
• β: 117.827 ± 0.0019°
• γ: 90°
• Cell volume: 2685.7 ± 0.5 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 6
• 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: 0.0303
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No