Information card for entry 4111722

Structure parameters

• Formula: C19 H27 F3 N O3 S Zr
• Calculated formula: C19 H27 F3 N O3 S Zr
• Title of publication: Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine
• Authors of publication: Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 7901 - 7911
• a: 10.247 ± 0.0004 Å
• b: 10.4473 ± 0.0005 Å
• c: 11.0073 ± 0.0005 Å
• α: 84.16 ± 0.001°
• β: 65.265 ± 0.001°
• γ: 71.607 ± 0.001°
• Cell volume: 1014.96 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0692
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No