Information card for entry 2020986

Structure parameters

• Chemical name: Bis(azido-κ<i>N</i>^1^)bis[1-(1<i>H</i>-benzotriazol-1-ylmethyl)-2-propyl-1<i>H</i>-imidazole-κ<i>N</i>^3^]zinc(II)
• Formula: C26 H30 N16 Zn
• Calculated formula: C26 H30 N16 Zn
• SMILES: [Zn]([n]1ccn(Cn2nnc3ccccc23)c1CCC)([n]1ccn(Cn2nnc3ccccc23)c1CCC)(N=N#N)N=N#N
• 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: 7.087 ± 0.0003 Å
• b: 13.7109 ± 0.0007 Å
• c: 15.2483 ± 0.0008 Å
• α: 84.36 ± 0.004°
• β: 83.99 ± 0.004°
• γ: 82.531 ± 0.004°
• Cell volume: 1455.62 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes