Information card for entry 2240465

Structure parameters

• Chemical name: Bis(η^5^-cyclopentadienyl)(1,4-di-<i>tert</i>-butylbuta-1-en-3-yn-1-yl)zirconium(IV) μ~2~-hydroxido-bis[tris(pentafluorophenyl)borate]
• Formula: C58 H30 B2 F30 O Zr
• Calculated formula: C58 H30 B2 F30 O Zr
• Title of publication: Crystal structure of bis(η^5^-cyclopentadienyl)(1,4-di-<i>tert</i>-butylbuta-1-en-3-yn-1-yl)zirconium(IV) μ~2~-hydroxido-bis[tris(pentafluorophenyl)borate]
• Authors of publication: Burlakov, Vladimir V.; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: m71 - m72
• a: 12.8896 ± 0.0005 Å
• b: 13.6334 ± 0.0005 Å
• c: 16.5466 ± 0.0006 Å
• α: 86.73 ± 0.003°
• β: 75.389 ± 0.003°
• γ: 77.581 ± 0.003°
• Cell volume: 2747.84 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes