Information card for entry 2020985

Structure parameters

• Chemical name: Bis(acetato-κ<i>O</i>)bis[1-(1<i>H</i>-benzotriazol-1-ylmethyl)-2-propyl-1<i>H</i>-imidazole-κ<i>N</i>^3^]zinc(II) monohydrate
• Formula: C30 H38 N10 O5 Zn
• Calculated formula: C30 H38 N10 O5 Zn
• Title of publication: Two zinc(II) coordination complexes based on an asymmetric multidentate ligand: syntheses, structures, selective fluorescence sensing of iron(III) ions and thermal analyses
• Authors of publication: Liu, Yaru; Liu, Lan; Zhang, Xiao; Liang, Guorui; Gong, Xuebing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 1
• Pages of publication: 13 - 20
• a: 8.7481 ± 0.0003 Å
• b: 11.9399 ± 0.0004 Å
• c: 16.4168 ± 0.0007 Å
• α: 84.921 ± 0.003°
• β: 88.623 ± 0.003°
• γ: 71.161 ± 0.003°
• Cell volume: 1616.51 ± 0.11 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: 0.0331
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes