Information card for entry 4314393

Structure parameters

• Formula: C26 H40 N2 O14 Zn3
• Calculated formula: C26 H40 N2 O14 Zn3
• SMILES: C(=O)(C)O[Zn]1([n]2cc(cc(c2)C)C)[O]=C(O[Zn]2([O]=C(O[Zn]([n]3cc(cc(c3)C)C)(OC(=O)C)[O]2C(=O)C)C)([OH2])([OH2])[O]1C(=O)C)C
• 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: 8.037 ± 0.002 Å
• b: 8.072 ± 0.002 Å
• c: 14.774 ± 0.004 Å
• α: 97.196 ± 0.005°
• β: 96.077 ± 0.005°
• γ: 116.266 ± 0.004°
• Cell volume: 838.6 ± 0.4 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: 0.0443
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No