Information card for entry 7021899

Structure parameters

• Formula: C24 H26 Zr
• Calculated formula: C24 H26 Zr
• Title of publication: Formation and structural characterization of a five-membered zirconacycloallenoid.
• Authors of publication: Bender, Georg; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14673 - 14676
• a: 14.9219 ± 0.0003 Å
• b: 8.021 ± 0.0002 Å
• c: 17.8888 ± 0.0004 Å
• α: 90°
• β: 112.216 ± 0.002°
• γ: 90°
• Cell volume: 1982.14 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No