Information card for entry 4073423

Structure parameters

• Formula: C44 H69 I2 Li O2 Zn
• Calculated formula: C44 H69 I2 Li O2 Zn
• Title of publication: A Trimetallic Compound Containing Zn−Zr Bonds: Cp2Zr(ZnR)2(Cp = C5H5; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)
• Authors of publication: Wang, Yuzhong; Quillian, Brandon; Wannere, Chaitanya S.; Wei, Pingrong; Schleyer, Paul v. R.; Robinson, Gregory H.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 3054
• a: 14.146 ± 0.0012 Å
• b: 14.7776 ± 0.0012 Å
• c: 24.15 ± 0.002 Å
• α: 90°
• β: 102.094 ± 0.001°
• γ: 90°
• Cell volume: 4936.4 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0724
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No