Information card for entry 4319286

Structure parameters

• Formula: C62 H80 O6 Zn6
• Calculated formula: C62 H80 O6 Zn6
• SMILES: C([Zn]1[O]2c3c(C4c5c(c(C)cc(C)c5)[O]5[Zn](CC)[O]6c7c(C(c8c(c(C)cc(C)c8)[O]([Zn]([O](c8c4cc(cc8C)C)[Zn]6CC)CC)[Zn]2CC)c2c(c(C)cc(C)c2)[O]1[Zn]5CC)cc(cc7C)C)cc(cc3C)C)C
• Title of publication: Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides
• Authors of publication: Maarten B. Dinger; Michael J. Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1029 - 1036
• a: 20.5594 ± 0.0015 Å
• b: 20.5594 ± 0.0015 Å
• c: 11.8777 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4347.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No