Information card for entry 4000428

Structure parameters

• Common name: (3) Zn4(ONep)4(Et)4
• Formula: C22 H38 N2 O2 Zn2
• Calculated formula: C22 H38 N2 O2 Zn2
• SMILES: CC[Zn]1([n]2ccccc2)[O]([Zn]([O]1C(C)(C)C)(CC)[n]1ccccc1)C(C)(C)C
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 9.0356 ± 0.0012 Å
• b: 16.287 ± 0.002 Å
• c: 9.0483 ± 0.0012 Å
• α: 90°
• β: 110.124 ± 0.002°
• γ: 90°
• Cell volume: 1250.3 ± 0.3 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No