Information card for entry 4329654

Structure parameters

• Formula: C80 H58 Cl4 O13 Zn4
• Calculated formula: C80 H58 Cl4 O13 Zn4
• SMILES: C1(c2ccc(cc2)c2ccccc2)=[O][Zn]234[O]56[Zn]7(O1)[O]=C(c1ccc(cc1)c1ccccc1)O[Zn]45([O]=C(c1ccc(cc1)c1ccccc1)O2)OC(c1ccc(cc1)c1ccccc1)=[O][Zn]6([O]=C(c1ccc(cc1)c1ccccc1)O3)OC(c1ccc(cc1)c1ccccc1)=[O]7.C(Cl)Cl.C(Cl)Cl
• 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: 20.7641 ± 0.0008 Å
• b: 14.8559 ± 0.0004 Å
• c: 25.5201 ± 0.0009 Å
• α: 90°
• β: 102.051 ± 0.001°
• γ: 90°
• Cell volume: 7698.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No