Information card for entry 2011137

Structure parameters

• Formula: C28 H40 N12 O8 Zn2
• Calculated formula: C28 H40 N12 O8 Zn2
• SMILES: C(=O)(O[Zn]1([n]2c(c(C(=O)C)c(C)[nH]2)N)[n]2c(N)c(c(n2[Zn]([n]2c(c(c(C)[nH]2)C(=O)C)N)([n]2c(N)c(c(n12)C)C(=O)C)OC(=O)C)C)C(=O)C)C
• Title of publication: Transition metal complexes with pyrazole-derived ligands. XI. [Zn(μ-<i>L</i>)(H<i>L</i>)(OAc)]~2~ (H<i>L</i> is 4-acetyl-3-amino-5-methylpyrazole)
• Authors of publication: Tomić, Zoran D.; Jaćimović, Željko K.; Leovac, Vukadin M.; Češljević, Valeria I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 777 - 779
• a: 9.192 ± 0.002 Å
• b: 10.726 ± 0.004 Å
• c: 10.904 ± 0.002 Å
• α: 61.3 ± 0.03°
• β: 70.01 ± 0.02°
• γ: 87.69 ± 0.03°
• Cell volume: 876.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes