Information card for entry 4000444

Structure parameters

• Common name: (13) Zn4(OTHF)4(Et)4
• Formula: C28 H56 O8 Zn4
• Calculated formula: C28 H56 O8 Zn4
• SMILES: CC[Zn]12[O]3([Zn]4([O]2([Zn]2([O]1([Zn]3([O]24C[C@H]1CCCO1)CC)C[C@@H]1CCCO1)CC)C[C@H]1CCCO1)CC)C[C@@H]1CCCO1
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 17.491 ± 0.005 Å
• b: 17.491 ± 0.005 Å
• c: 11.197 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3425.7 ± 1.7 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No