Information card for entry 4000431

Structure parameters

• Common name: (6) Zn4(OMPec)4(Et)4
• Formula: C28 H56 O4 Zn4
• Calculated formula: C28 H56 O4 Zn4
• SMILES: CC[Zn]12[O]3([Zn]4([O]2([Zn]2([O]1([Zn]3([O]24C1CCCC1)CC)C1CCCC1)CC)C1CCCC1)CC)C1CCCC1
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 8.166 ± 0.003 Å
• b: 19.155 ± 0.008 Å
• c: 10.522 ± 0.004 Å
• α: 90°
• β: 97.35 ± 0.006°
• γ: 90°
• Cell volume: 1632.4 ± 1.1 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No