Information card for entry 2019906

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis({1-[(1<i>H</i>-benzoimidazol-2-yl-\ κ<i>N</i>^3^)methyl]-1<i>H</i>-tetrazole}zinc(II))-bis(μ~4~-pentane-1,5-\ dioato-1:2:1':2'κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^5^:<i>O</i>^5'^)] methanol disolvate]
• Formula: C15 H18 N6 O5 Zn
• Calculated formula: C15 H18 N6 O5 Zn
• SMILES: [Zn]123([n]4c5ccccc5[nH]c4Cn4nnnc4)[O]=C(CCCC(=O)[O-])O[Zn]4([O]=C(O3)CCCC(=O)[O-])([n]3c5ccccc5[nH]c3Cn3nnnc3)[O]=C(O1)CCCC1=[O][Zn]([n]3c5ccccc5[nH]c3Cn3nnnc3)OC(CCCC(O4)=[O]2)=[O][Zn](O1)[n]1c2ccccc2[nH]c1Cn1nnnc1.OC.OC.OC.OC
• Title of publication: A one-dimensional zinc(II) coordination polymer based on mixed multidentate <i>N</i>- and <i>O</i>-donor ligands
• Authors of publication: Huang, Qiu-Ying; Zhang, Yu-Hong; Meng, Xiang-Ru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• a: 8.0054 ± 0.0016 Å
• b: 9.972 ± 0.002 Å
• c: 11.451 ± 0.002 Å
• α: 80.91 ± 0.03°
• β: 71.17 ± 0.03°
• γ: 81.95 ± 0.03°
• Cell volume: 850.5 ± 0.3 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: 0.0379
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes