Information card for entry 7109348

Structure parameters

• Formula: C54 H108 O18 Zn12
• Calculated formula: C54 H108 O18 Zn12
• SMILES: C(C)(C)([Zn]12[O]3[Zn]4(C(C)(C)C)[O]5=C3[O]3[Zn]6(C(C)(C)C)[O]7=C8[O]([Zn]57C(C)(C)C)[Zn]5(C(C)(C)C)[O]7=C([O]45)[O]1[Zn]1(C(C)(C)C)[O]4=C5[O]9[Zn]4(C(C)(C)C)[O]4=C%10[O]%11[Zn]([O]8[Zn]7(C(C)(C)C)[O]1%10)(C(C)(C)C)[O]6=C1[O]([Zn]3(C(C)(C)C)[O]25)[Zn]9(C(C)(C)C)[O]1[Zn]4%11C(C)(C)C)C
• Title of publication: Activation of CO2 by tBuZnOH species: efficient routes to novel nanomaterials based on zinc carbonates
• Authors of publication: Kamil Sokolowski; Wojciech Bury; Iwona Justyniak; Anna M. Cieslak; Malgorzata Wolska; Katarzyna Soltys; Igor Dziecielewski; Janusz Lewinski
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5271
• a: 20.4631 ± 0.0002 Å
• b: 20.4631 ± 0.0002 Å
• c: 16.2871 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5906.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No