Information card for entry 4077557

Structure parameters

• Formula: C16 H22 Cl N Zr
• Calculated formula: C16 H22 Cl N Zr
• Title of publication: Zirconocene Ketimides: Synthesis, Structural Characterization, Ethylene Polymerization Activity, and ab Initio Computational Studies
• Authors of publication: Armstrong, David R.; Henderson, Kenneth W.; Little, Ian; Jenny, Charles; Kennedy, Alan R.; McKeown, Arlene E.; Mulvey, Robert E.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 4369
• a: 11.812 ± 0.003 Å
• b: 18.296 ± 0.004 Å
• c: 7.486 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1617.8 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for all reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0317
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No