Information card for entry 7115385

Structure parameters

• Formula: C12 H30 Na2 O Zn3
• Calculated formula: C12 H30 Na2 O Zn3
• SMILES: C(C)[Zn]([O]([Zn](CC)CC)[Zn](CC)CC)CC.[Na+].[Na+]
• Title of publication: Alkali metal oxides trapped by diethylzinc
• Authors of publication: L. Zane Miller; Michael Shatruka; D. Tyler McQuade
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8937
• a: 8.7801 ± 0.0005 Å
• b: 8.7801 ± 0.0005 Å
• c: 43.327 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2892.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No