Information card for entry 4063536

Structure parameters

• Formula: C17 H30 F3 N O3 S Si Zr
• Calculated formula: C17 H30 F3 N O3 S Si Zr
• Title of publication: Mechanism of the Reaction of Alkynes with a “Constrained Geometry” Zirconaaziridine. PMe3Dissociates More Rapidly from the Constrained Geometry Complex than from its Cp2Analogue
• Authors of publication: Kristian, Kathleen E.; Iimura, Masanori; Cummings, Sarah A.; Norton, Jack R.; Janak, Kevin E.; Pang, Keliang
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 493 - 498
• a: 20.168 ± 0.009 Å
• b: 8.908 ± 0.004 Å
• c: 25.959 ± 0.012 Å
• α: 90°
• β: 98.007 ± 0.009°
• γ: 90°
• Cell volume: 4618 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No