Information card for entry 4000430

Structure parameters

• Common name: (5) Zn4(OMBuc)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]24CC1CCC1)CC)CC1CCC1)CC)CC1CCC1)CC)CC1CCC1
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 16.994 ± 0.004 Å
• b: 16.994 ± 0.004 Å
• c: 11.133 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3215.3 ± 1.5 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: 0.0372
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No