Information card for entry 4317554

Structure parameters

• Formula: C34 H26 F4 N4 O4 Zn
• Calculated formula: C34 H26 F4 N4 O4 Zn
• SMILES: [Zn](OC(=O)c1c(F)cccc1F)(OC(=O)c1c(F)cccc1F)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.n1ccccc1
• Title of publication: Solid-State Structures of Zinc(II) Benzoate Complexes. Catalyst Precursors for the Coupling of Carbon Dioxide and Epoxides
• Authors of publication: Donald J. Darensbourg; Jacob R. Wildeson; Jason C. Yarbrough
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 973 - 980
• a: 11.6569 ± 0.0007 Å
• b: 10.9364 ± 0.0007 Å
• c: 12.8998 ± 0.0008 Å
• α: 90°
• β: 108.885 ± 0.001°
• γ: 90°
• Cell volume: 1556 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No