Information card for entry 4309045

Structure parameters

• Formula: C28 H38 F6 O2 Zn2
• Calculated formula: C28 H38 F6 O2 Zn2
• SMILES: [Zn]1([O](C(C(C)C)C(C)C)[Zn]([O]1C(C(C)C)C(C)C)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
• Title of publication: Arylzinc Alkoxides: [ArZnOCHP]2 and Ar2Zn3(OCHP)4 When Ar = C6H5, p-CF3C6H4, 2,4,6-Me3C6H2, and C6F5
• Authors of publication: Malcolm H. Chisholm; Judith C. Gallucci; Hongfeng Yin; Hongshi Zhen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4777 - 4785
• a: 11.8764 ± 0.0001 Å
• b: 21.9804 ± 0.0003 Å
• c: 12.3577 ± 0.0002 Å
• α: 90°
• β: 109.728 ± 0.001°
• γ: 90°
• Cell volume: 3036.61 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.0674
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No