Information card for entry 7121614

Structure parameters

• Formula: C44 H47 B F10 O2 Zr
• Calculated formula: C44 H47 B F10 O2 Zr
• Title of publication: Zirconocene mediated acetylboron chemistry.
• Authors of publication: Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 5724 - 5727
• a: 12.4315 ± 0.0006 Å
• b: 17.3708 ± 0.001 Å
• c: 21.1666 ± 0.0011 Å
• α: 110.538 ± 0.002°
• β: 104.768 ± 0.002°
• γ: 97.356 ± 0.002°
• Cell volume: 4017.8 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1036
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No