Information card for entry 4334638

Structure parameters

• Chemical name: Zn4(picHA)2(acetate)4(dimethylformamide)2
• Formula: C26 H34 N6 O14 Zn4
• Calculated formula: C26 H34 N6 O14 Zn4
• SMILES: C12c3cccc[n]3[Zn]345[N]=1[O]1[Zn]6(O2)([O]=CN(C)C)[O]=C(C)O[Zn]21([N]1=C(c7cccc[n]27)O[Zn]([O]=C(O3)C)(OC(C)=[O]4)([O]51)[O]=CN(C)C)[O]=C(C)O6
• Title of publication: Isolation of Elusive Tetranuclear and Pentanuclear M(II)-Hydroximate Intermediates in the Assembly of Lanthanide [15-Metallacrown-5] Complexes
• Authors of publication: Joseph Jankolovits; Jeff W. Kampf; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5063 - 5076
• a: 7.9774 ± 0.0002 Å
• b: 10.4943 ± 0.0003 Å
• c: 10.6971 ± 0.0003 Å
• α: 80.681 ± 0.001°
• β: 77.535 ± 0.001°
• γ: 79.547 ± 0.001°
• Cell volume: 852.85 ± 0.04 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No