Information card for entry 7024169

Structure parameters

• Formula: C56 H54 F18 O6 Zn4
• Calculated formula: C56 H54 F18 O6 Zn4
• Title of publication: New insights into addition reactions of dialkylzinc reagents to trifluoromethyl ketones: structural authentication of a beta-hydride elimination product containing a tetranuclear zinc chain.
• Authors of publication: Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Livingstone, Zoe; McCall, Matthew D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 520 - 526
• a: 10.7331 ± 0.0004 Å
• b: 12.0496 ± 0.0004 Å
• c: 12.6837 ± 0.0003 Å
• α: 96.141 ± 0.002°
• β: 113.38 ± 0.003°
• γ: 98.272 ± 0.003°
• Cell volume: 1465.52 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No