Information card for entry 4314395

Structure parameters

• Formula: C26 H36 N2 O12 Zn3
• Calculated formula: C26 H36 N2 O12 Zn3
• SMILES: c1(C)[n]([Zn]23[O]=C(C)O[Zn]45([O]=C(C)O[Zn]([n]6c(c(ccc6)C)C)([O]=C(O4)C)[O]5C(=O)C)([O]=C(O2)C)[O]3C(=O)C)cccc1C
• Title of publication: Factors Dictating the Nuclearity/Aggregation and Acetate Coordination Modes of Lutidine-Coordinated Zinc(II) Acetate Complexes
• Authors of publication: Umesh Kumar; Jency Thomas; Natesan Thirupathi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 62 - 72
• a: 7.677 ± 0.004 Å
• b: 10.114 ± 0.006 Å
• c: 11.599 ± 0.006 Å
• α: 69.951 ± 0.009°
• β: 74.983 ± 0.008°
• γ: 72.43 ± 0.009°
• Cell volume: 794.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No