Information card for entry 4083342

Structure parameters

• Formula: C36 H40 F3 N2 O4 S Ti
• Calculated formula: C36 H40 F3 N2 O4 S Ti
• Title of publication: Functionalization of Complexed N2O in Bis(pentamethylcyclopentadienyl) Systems of Zirconium and Titanium.
• Authors of publication: Mindiola, Daniel J.; Watson, Lori A.; Meyer, Karsten; Hillhouse, Gregory L.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2760 - 2769
• a: 9.9259 ± 0.0009 Å
• b: 13.1748 ± 0.0012 Å
• c: 13.6486 ± 0.0012 Å
• α: 88.03 ± 0.002°
• β: 71.853 ± 0.002°
• γ: 80.802 ± 0.002°
• Cell volume: 1674 ± 0.3 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No