Information card for entry 4329655

Structure parameters

• Formula: C48 H42 O13 Zn4
• Calculated formula: C48 H42 O13 Zn4
• SMILES: C1(=[O][Zn]23[O]45[Zn]6(O1)[O]=C(c1ccc(cc1)C)O[Zn]4([O]=C(O3)c1ccc(cc1)C)[O]=C(O[Zn]5([O]=C(c1ccc(cc1)C)O6)OC(=[O]2)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Oxozinc Carboxylate Complexes: A New Synthetic Approach and the Carboxylate Ligand Effect on the Noncovalent-Interactions-Driven Self-Assembly
• Authors of publication: Wojciech Bury; Iwona Justyniak; Daniel Prochowicz; Anna Rola-Noworyta; Janusz Lewiński
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7410 - 7414
• a: 23.034 ± 0.005 Å
• b: 23.034 ± 0.005 Å
• c: 23.034 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12221 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No