Information card for entry 4070480

Structure parameters

• Formula: C16 H14 Zr
• Calculated formula: C16 H14 Zr
• Title of publication: A New Versatile Approach to Substituted Cyclopentadienyl−Cycloheptatrienyl Complexes of Zirconium (Trozircenes)
• Authors of publication: Glöckner, Andreas; Tamm, Matthias; Arif, Atta M.; Ernst, Richard D.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 7041
• a: 6.9203 ± 0.0002 Å
• b: 8.3288 ± 0.0003 Å
• c: 11.0045 ± 0.0003 Å
• α: 90°
• β: 105.195 ± 0.0018°
• γ: 90°
• Cell volume: 612.1 ± 0.03 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No