Information card for entry 4073425

Structure parameters

• Formula: C86 H118 O Zn2 Zr
• Calculated formula: C86 H118 O Zn2 Zr
• 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: 15.8883 ± 0.0017 Å
• b: 17.6831 ± 0.0019 Å
• c: 29.505 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8289.6 ± 1.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No